untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

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S1003

>  <Name> (1)
Linifanib (ABT-869)

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

>  <CAS> (1)
796967-16-3

>  <URL> (1)
http://www.selleckchem.com/products/ABT-869.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib

>  <Synonyms> (2)
AG 013736

>  <Target> (2)
VEGFR, PDGFR, c-Kit

>  <Form> (2)
Free Base

>  <CAS> (2)
319460-85-0

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

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C27H32ClN5O5

>  <MolWeight> (3)
542.02648

>  <Cat> (3)
S1006

>  <Name> (3)
Saracatinib (AZD0530)

>  <Synonyms> (3)
N/A 

>  <Target> (3)
Src, Bcr-Abl

>  <Form> (3)
Free Base

>  <CAS> (3)
379231-04-6

>  <URL> (3)
http://www.selleckchem.com/products/AZD0530.html

$$$$
azd6244.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (4)
4

>  <Formula> (4)
C17H15BrClFN4O3

>  <MolWeight> (4)
457.6814032

>  <Cat> (4)
S1008

>  <Name> (4)
AZD6244 (Selumetinib)

>  <Synonyms> (4)
ARRY-142886 

>  <Target> (4)
MEK

>  <Form> (4)
Free Base

>  <CAS> (4)
606143-52-6

>  <URL> (4)
http://www.selleckchem.com/products/AZD6244.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (5)
5

>  <Formula> (5)
C31H33N5O4

>  <MolWeight> (5)
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>  <Cat> (5)
S1010

>  <Name> (5)
Nintedanib (BIBF 1120)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
VEGFR, PDGFR, FGFR

>  <Form> (5)
Free Base

>  <CAS> (5)
656247-17-5

>  <URL> (5)
http://www.selleckchem.com/products/BIBF1120.html

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (6)
6

>  <Formula> (6)
C26H29Cl2N5O3

>  <MolWeight> (6)
530.44616

>  <Cat> (6)
S1014

>  <Name> (6)
Bosutinib (SKI-606)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
Src

>  <Form> (6)
Free Base

>  <CAS> (6)
380843-75-4

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

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C25H27FN4O3

>  <MolWeight> (7)
450.5052832

>  <Cat> (7)
S1017

>  <Name> (7)
Cediranib (AZD2171)

>  <Synonyms> (7)
Recentin 

>  <Target> (7)
VEGFR, Flt

>  <Form> (7)
Free Base

>  <CAS> (7)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (8)
8

>  <Formula> (8)
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CI-1040 (PD184352)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
MEK 

>  <Form> (8)
Free Base

>  <CAS> (8)
212631-79-3

>  <URL> (8)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/06102009132D

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9

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C22H26ClN7O2S

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>  <Cat> (9)
S1021

>  <Name> (9)
Dasatinib

>  <Synonyms> (9)
BMS-354825

>  <Target> (9)
Src, Bcr-Abl, c-Kit

>  <Form> (9)
Free Base

>  <CAS> (9)
302962-49-8

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

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C53H84NO14P

>  <MolWeight> (10)
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>  <Cat> (10)
S1022

>  <Name> (10)
Deforolimus (MK-8669) 

>  <Synonyms> (10)
AP23573, MK-8669

>  <Target> (10)
mTOR

>  <Form> (10)
Free Base

>  <CAS> (10)
572924-54-0

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

$$$$

csChFnd80/06102009132D

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11

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C21H21FN6O

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392.4294432

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Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (11)
N/A

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

>  <Form> (11)
Free base

>  <CAS> (11)
405169-16-6

>  <URL> (11)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (12)
12

>  <Formula> (12)
C22H24ClFN4O3

>  <MolWeight> (12)
446.9023632

>  <Cat> (12)
S1025

>  <Name> (12)
Gefitinib (ZD1839)

>  <Synonyms> (12)
N/A

>  <Target> (12)
EGFR

>  <Form> (12)
Free Base

>  <CAS> (12)
184475-35-2

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (13)
13

>  <Formula> (13)
C30H35N7O4S

>  <MolWeight> (13)
589.7084

>  <Cat> (13)
S1026

>  <Name> (13)
Imatinib Mesylate (STI571)

>  <Synonyms> (13)
CGP-57148B, ST-1571 Mesylate

>  <Target> (13)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (13)
Mesylate

>  <CAS> (13)
220127-57-1

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C43H42ClFN4O10S3

>  <MolWeight> (14)
925.4607832

>  <Cat> (14)
S1028

>  <Name> (14)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (14)
GW-57201

>  <Target> (14)
EGFR, HER2

>  <Form> (14)
Ditosylat

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

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

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C22H29N5O9P2

>  <MolWeight> (15)
569.441282

>  <Cat> (15)
S1032

>  <Name> (15)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (15)
AMG-706

>  <Target> (15)
VEGFR, PDGFR, c-Kit

>  <Form> (15)
Diphosphate

>  <CAS> (15)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C28H22F3N7O

>  <MolWeight> (16)
529.5157896

>  <Cat> (16)
S1033

>  <Name> (16)
Nilotinib (AMN-107)

>  <Synonyms> (16)
Tasigna 

>  <Target> (16)
Bcr-Abl

>  <Form> (16)
Free Base

>  <CAS> (16)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/06102009132D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C21H24ClN7O2S

>  <MolWeight> (17)
473.97896

>  <Cat> (17)
S1035

>  <Name> (17)
Pazopanib HCl

>  <Synonyms> (17)
GW786034

>  <Target> (17)
VEGFR, PDGFR, c-Kit

>  <Form> (17)
Hydrochloride

>  <CAS> (17)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C16H14F3IN2O4

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S1036

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>  <Synonyms> (18)
N/A

>  <Target> (18)
MEK 

>  <Form> (18)
Free Base

>  <CAS> (18)
391210-10-9

>  <URL> (18)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C19H16N4O3

>  <MolWeight> (19)
348.35534

>  <Cat> (19)
S1038

>  <Name> (19)
PI-103

>  <Synonyms> (19)
N/A

>  <Target> (19)
DNA-PK, PI3K, mTOR

>  <Form> (19)
Free Base

>  <CAS> (19)
371935-74-9

>  <URL> (19)
http://www.selleckchem.com/products/PI-103.html

$$$$
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csChFnd80/06102009132D

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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C51H79NO13

>  <MolWeight> (20)
914.17186

>  <Cat> (20)
S1039

>  <Name> (20)
Rapamycin (Sirolimus)

>  <Synonyms> (20)
N/A 

>  <Target> (20)
mTOR 

>  <Form> (20)
Free Base

>  <CAS> (20)
53123-88-9

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

$$$$

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M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C28H24ClF3N4O6S

>  <MolWeight> (21)
637.0265696

>  <Cat> (21)
S1040

>  <Name> (21)
Sorafenib Tosylate

>  <Synonyms> (21)
Bay 43-9006 

>  <Target> (21)
VEGFR, PDGFR, Raf

>  <Form> (21)
Tosylate

>  <CAS> (21)
475207-59-1

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

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C26H33FN4O7

>  <MolWeight> (22)
532.5612232

>  <Cat> (22)
S1042

>  <Name> (22)
Sunitinib Malate

>  <Synonyms> (22)
N/A

>  <Target> (22)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (22)
Malate

>  <CAS> (22)
341031-54-7

>  <URL> (22)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C23H28N8OS

>  <MolWeight> (23)
464.58642

>  <Cat> (23)
S1048

>  <Name> (23)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (23)
N/A 

>  <Target> (23)
Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
639089-54-6

>  <URL> (23)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C14H23Cl2N3O

>  <MolWeight> (24)
320.25792

>  <Cat> (24)
S1049

>  <Name> (24)
Y-27632 2HCl

>  <Synonyms> (24)
N/A

>  <Target> (24)
ROCK

>  <Form> (24)
Dihydrochloride

>  <CAS> (24)
129830-38-2

>  <URL> (24)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (25)
25

>  <Formula> (25)
C32H29N5O2

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Enzastaurin (LY317615)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
PKC 

>  <Form> (25)
Free Base

>  <CAS> (25)
170364-57-5

>  <URL> (25)
http://www.selleckchem.com/products/Enzastaurin.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (26)
26

>  <Formula> (26)
C28H30N6OS

>  <MolWeight> (26)
498.6424

>  <Cat> (26)
S1064

>  <Name> (26)
Masitinib (AB1010)

>  <Synonyms> (26)
N/A 

>  <Target> (26)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (26)
Free Base

>  <CAS> (26)
790299-79-5

>  <URL> (26)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (27)
27

>  <Formula> (27)
C23H27N7O3S2

>  <MolWeight> (27)
513.63558

>  <Cat> (27)
S1065

>  <Name> (27)
Pictilisib (GDC-0941)

>  <Synonyms> (27)
RG7321

>  <Target> (27)
PI3K 

>  <Form> (27)
Free Base

>  <CAS> (27)
957054-30-7

>  <URL> (27)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (28)
28

>  <Formula> (28)
C22H16N4O3

>  <MolWeight> (28)
384.38744

>  <Cat> (28)
S1067

>  <Name> (28)
SB 431542

>  <Synonyms> (28)
N/A

>  <Target> (28)
TGF-beta/Smad

>  <Form> (28)
Free Base

>  <CAS> (28)
301836-41-9

>  <URL> (28)
http://www.selleckchem.com/products/SB-431542.html

$$$$
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csChFnd80/06102009132D

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475110-96-4

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GSK-3 

>  <Form> (30)
Free Base

>  <CAS> (30)
280744-09-4

>  <URL> (30)
http://www.selleckchem.com/products/SB-216763.html

$$$$
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>  <Mol_ID> (31)
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N/A

>  <Target> (31)
p38 MAPK 

>  <Form> (31)
Free Base

>  <CAS> (31)
152121-47-6

>  <URL> (31)
http://www.selleckchem.com/products/SB-203580.html

$$$$
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>  <Mol_ID> (32)
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N/A

>  <Target> (32)
p38 MAPK 

>  <Form> (32)
Free Base

>  <CAS> (32)
152121-30-7

>  <URL> (32)
http://www.selleckchem.com/products/SB-202190.html

$$$$

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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C25H23Cl2N5O

>  <MolWeight> (33)
480.38902

>  <Cat> (33)
S1078

>  <Name> (33)
MK-2206 dihydrochloride

>  <Synonyms> (33)
N/A

>  <Target> (33)
Akt

>  <Form> (33)
Dihydrochloride

>  <CAS> (33)
1032350-13-2

>  <URL> (33)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C28H30ClN5O4S

>  <MolWeight> (34)
568.0869

>  <Cat> (34)
S1080

>  <Name> (34)
SU11274

>  <Synonyms> (34)
PKI-SU11274

>  <Target> (34)
c-Met 

>  <Form> (34)
Free Base

>  <CAS> (34)
658084-23-2

>  <URL> (34)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C19H19FN4O3

>  <MolWeight> (35)
370.3775632

>  <Cat> (35)
S1084

>  <Name> (35)
Brivanib (BMS-540215)

>  <Synonyms> (35)
N/A 

>  <Target> (35)
VEGFR, FGFR

>  <Form> (35)
Free Base

>  <CAS> (35)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C28H31N5O

>  <MolWeight> (36)
453.57864

>  <Cat> (36)
S1088

>  <Name> (36)
NVP-ADW742

>  <Synonyms> (36)
ADW742

>  <Target> (36)
IGF-1R

>  <Form> (36)
Free Base

>  <CAS> (36)
475488-23-4

>  <URL> (36)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/06102009132D

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>  <Target> (37)
ATM 

>  <Form> (37)
Free Base

>  <CAS> (37)
587871-26-9

>  <URL> (37)
http://www.selleckchem.com/products/KU-55933.html

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>  <Mol_ID> (38)
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>  <Synonyms> (38)
N/A

>  <Target> (38)
IGF-1R

>  <Form> (38)
Free Base

>  <CAS> (38)
1089283-49-7

>  <URL> (38)
http://www.selleckchem.com/products/GSK1904529A.html

$$$$
untitled.cdx
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>  <Mol_ID> (39)
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>  <Synonyms> (39)
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>  <Target> (39)
c-Met 

>  <Form> (39)
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>  <CAS> (39)
956905-27-4

>  <URL> (39)
http://www.selleckchem.com/products/PF-04217903.html

$$$$
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40

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C25H15ClF2N4O2

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S1100

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MLN8054

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N/A

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <CAS> (40)
869363-13-3

>  <URL> (40)
http://www.selleckchem.com/products/MLN8054.html

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>  <Mol_ID> (41)
41

>  <Formula> (41)
C20H17Cl3N4

>  <MolWeight> (41)
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>  <Cat> (41)
S1101

>  <Name> (41)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (41)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (41)
VEGFR, c-Kit, Flt

>  <Form> (41)
Dihydrochloride

>  <CAS> (41)
212141-51-0

>  <URL> (41)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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>  <Mol_ID> (42)
42

>  <Formula> (42)
C29H31N5O4

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ZM-447439

>  <Synonyms> (42)
N/A

>  <Target> (42)
Aurora Kinase

>  <Form> (42)
Free Base

>  <CAS> (42)
331771-20-1

>  <URL> (42)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
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>  <Mol_ID> (43)
43

>  <Formula> (43)
C19H18N4O2

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S1104

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GDC-0879

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N/A

>  <Target> (43)
Raf

>  <Form> (43)
Free Base

>  <CAS> (43)
905281-76-7

>  <URL> (43)
http://www.selleckchem.com/products/GDC-0879.html

$$$$
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PI3K 

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154447-36-6

>  <URL> (44)
http://www.selleckchem.com/products/LY294002.html

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PDK-1

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Free Base

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742112-33-0

>  <URL> (45)
http://www.selleckchem.com/products/OSU-03012.html

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U0126-EtOH

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N/A

>  <Target> (46)
MEK

>  <Form> (46)
Ethanolate

>  <CAS> (46)
1173097-76-1

>  <URL> (46)
http://www.selleckchem.com/products/U0126.html

$$$$
untitled.cdx
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47

>  <Formula> (47)
C26H30N6O3

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>  <Name> (47)
Danusertib (PHA-739358)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (47)
Free Base

>  <CAS> (47)
827318-97-8

>  <URL> (47)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
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PLK

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755038-02-9

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http://www.selleckchem.com/products/BI-2536.html

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>  <Synonyms> (49)
N/A 

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c-Met, VEGFR

>  <Form> (49)
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>  <CAS> (49)
849217-64-7

>  <URL> (49)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

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>  <Mol_ID> (50)
50

>  <Formula> (50)
C19H13F2N7

>  <MolWeight> (50)
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>  <Cat> (50)
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>  <Name> (50)
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>  <Synonyms> (50)
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>  <Target> (50)
c-Met 

>  <Form> (50)
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>  <CAS> (50)
943540-75-8

>  <URL> (50)
http://www.selleckchem.com/products/JNJ-38877605.html

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>  <Mol_ID> (51)
51

>  <Formula> (51)
C53H83NO14

>  <MolWeight> (51)
958.22442

>  <Cat> (51)
S1120

>  <Name> (51)
Everolimus (RAD001)

>  <Synonyms> (51)
Certican, Zortress, Afinitor

>  <Target> (51)
mTOR

>  <Form> (51)
Free Base

>  <CAS> (51)
159351-69-6

>  <URL> (51)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
mln8237.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (52)
52

>  <Formula> (52)
C27H20ClFN4O4

>  <MolWeight> (52)
518.9235032

>  <Cat> (52)
S1133

>  <Name> (52)
MLN8237 (Alisertib)

>  <Synonyms> (52)
Alisertib

>  <Target> (52)
Aurora Kinase

>  <Form> (52)
Free Base

>  <CAS> (52)
1028486-01-2

>  <URL> (52)
http://www.selleckchem.com/products/MLN8237.html

$$$$
XL-184 free base.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (53)
53

>  <Formula> (53)
C28H24FN3O5

>  <MolWeight> (53)
501.5056632

>  <Cat> (53)
S1119

>  <Name> (53)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (53)
N/A

>  <Target> (53)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (53)
Free Base

>  <CAS> (53)
849217-68-1

>  <URL> (53)
http://www.selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (54)
54

>  <Formula> (54)
C19H23N7O2

>  <MolWeight> (54)
381.43162

>  <Cat> (54)
S1134

>  <Name> (54)
AT9283

>  <Synonyms> (54)
N/A

>  <Target> (54)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (54)
Free Base

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

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

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C22H24FN5O4

>  <MolWeight> (55)
441.4554632

>  <Cat> (55)
S1138

>  <Name> (55)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (55)
N/A 

>  <Target> (55)
VEGFR, FGFR

>  <Form> (55)
Alaninate

>  <CAS> (55)
649735-63-7

>  <URL> (55)
http://www.selleckchem.com/products/Brivanib-alaninate.html

$$$$
AG-490.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (56)
56

>  <Formula> (56)
C17H14N2O3

>  <MolWeight> (56)
294.30466

>  <Cat> (56)
S1143

>  <Name> (56)
AG-490 (Tyrphostin B42)

>  <Synonyms> (56)
N/A

>  <Target> (56)
JAK, EGFR

>  <Form> (56)
Free Base

>  <CAS> (56)
133550-30-8 

>  <URL> (56)
http://www.selleckchem.com/products/AG-490.html

$$$$
untitled.cdx
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C17H24N4O2S2

>  <MolWeight> (57)
380.52806

>  <Cat> (57)
S1145

>  <Name> (57)
SNS-032 (BMS-387032)

>  <Synonyms> (57)
BMS-387032

>  <Target> (57)
CDK 

>  <Form> (57)
Free Base

>  <CAS> (57)
345627-80-7

>  <URL> (57)
http://www.selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/06102009132D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C26H30FN7O3

>  <MolWeight> (58)
507.5599032

>  <Cat> (58)
S1147

>  <Name> (58)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (58)
AZD1152 

>  <Target> (58)
Aurora Kinase

>  <Form> (58)
Free Base

>  <CAS> (58)
722544-51-6

>  <URL> (58)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
untitled.cdx
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
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59

>  <Formula> (59)
C17H14ClF2N3O3S

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413.8261664

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S1152

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PLX-4720

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N/A

>  <Target> (59)
Raf 

>  <Form> (59)
Free Base

>  <CAS> (59)
918505-84-7

>  <URL> (59)
http://www.selleckchem.com/products/PLX-4720.html

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untitled.cdx
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>  <Mol_ID> (60)
60

>  <Formula> (60)
C19H26N6O

>  <MolWeight> (60)
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Roscovitine (Seliciclib, CYC202) 

>  <Synonyms> (60)
N/A 

>  <Target> (60)
CDK 

>  <Form> (60)
Free Base

>  <CAS> (60)
186692-46-6 

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

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>  <Mol_ID> (61)
61

>  <Formula> (61)
C27H27N5O3

>  <MolWeight> (61)
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>  <Cat> (61)
S1167

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CP-724714

>  <Synonyms> (61)
N/A

>  <Target> (61)
EGFR, HER2

>  <Form> (61)
Free Base

>  <CAS> (61)
537705-08-1

>  <URL> (61)
http://www.selleckchem.com/products/CP-724714.html

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>  <Mol_ID> (62)
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>  <Synonyms> (62)
N/A

>  <Target> (62)
PI3K

>  <Form> (62)
Free Base

>  <CAS> (62)
663619-89-4

>  <URL> (62)
http://www.selleckchem.com/products/TGX-221.html

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1214265-56-1

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http://www.selleckchem.com/products/WZ3146.html

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693228-63-6

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http://www.selleckchem.com/products/CYC116.html

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EGFR

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1213269-23-8

>  <URL> (65)
http://www.selleckchem.com/products/WZ4002.html

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68

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C24H25ClN6OS

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WZ8040

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N/A

>  <Target> (68)
EGFR

>  <Form> (68)
Free Base

>  <CAS> (68)
1214265-57-2

>  <URL> (68)
http://www.selleckchem.com/products/WZ8040.html

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ENMD-2076.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (69)
69

>  <Formula> (69)
C21H25N7

>  <MolWeight> (69)
375.4701

>  <Cat> (69)
S1181

>  <Name> (69)
ENMD-2076

>  <Synonyms> (69)
N/A 

>  <Target> (69)
Flt, Aurora Kinase, VEGFR

>  <Form> (69)
Tartaric Acid 

>  <CAS> (69)
934353-76-1

>  <URL> (69)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (70)
70

>  <Formula> (70)
C24H26N4O4

>  <MolWeight> (70)
434.48764

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S1194

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CUDC-101

>  <Synonyms> (70)
N/A

>  <Target> (70)
HDAC, EGFR, HER2

>  <Form> (70)
Free Base

>  <CAS> (70)
1012054-59-9

>  <URL> (70)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
AV-951.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (71)
71

>  <Formula> (71)
C22H19ClN4O5

>  <MolWeight> (71)
454.86306

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S1207

>  <Name> (71)
Tivozanib (AV-951)

>  <Synonyms> (71)
N/A 

>  <Target> (71)
VEGFR, c-Kit, PDGFR

>  <Form> (71)
Free Base

>  <CAS> (71)
475108-18-0

>  <URL> (71)
http://www.selleckchem.com/products/AV-951.html

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csChFnd80/06102009132D

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mTOR 

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938440-64-3

>  <URL> (73)
http://www.selleckchem.com/products/KU-0063794.html

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c-Met, c-Kit, PDGFR, Flt, c-RET

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850879-09-3

>  <URL> (74)
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75706-12-6

>  <URL> (75)
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>  <Mol_ID> (76)
76

>  <Formula> (76)
C15H12F2N6O3S

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JNJ-7706621

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N/A 

>  <Target> (76)
CDK, Aurora Kinase

>  <Form> (76)
Free Base

>  <CAS> (76)
443797-96-4

>  <URL> (76)
http://www.selleckchem.com/products/JNJ-7706621.html

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csChFnd80/06102009132D

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>  <Mol_ID> (77)
77

>  <Formula> (77)
C28H41N7O3

>  <MolWeight> (77)
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>  <Cat> (77)
S1264

>  <Name> (77)
PD173074

>  <Synonyms> (77)
N/A

>  <Target> (77)
FGFR, VEGFR

>  <Form> (77)
Free Base

>  <CAS> (77)
219580-11-7

>  <URL> (77)
http://www.selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/06102009132D

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78

>  <Formula> (78)
C24H29N7O5

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495.53096

>  <Cat> (78)
S1266

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WYE-354

>  <Synonyms> (78)
N/A

>  <Target> (78)
mTOR 

>  <Form> (78)
Free Base

>  <CAS> (78)
1062169-56-5

>  <URL> (78)
http://www.selleckchem.com/products/WYE-354.html

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

>  <Formula> (79)
C23H18ClF2N3O3S

>  <MolWeight> (79)
489.9221264

>  <Cat> (79)
S1267

>  <Name> (79)
Vemurafenib (PLX4032, RG7204)

>  <Synonyms> (79)
RO5185426

>  <Target> (79)
Raf 

>  <Form> (79)
Free Base

>  <CAS> (79)
918504-65-1

>  <URL> (79)
http://www.selleckchem.com/products/PLX-4032.html

$$$$
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csChFnd80/06102009132D

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>  <URL> (83)
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 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C24H18F3N3O4

>  <MolWeight> (84)
469.4126296

>  <Cat> (84)
S1363

>  <Name> (84)
Ki8751

>  <Synonyms> (84)
N/A

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

>  <Form> (84)
Free Base

>  <CAS> (84)
228559-41-9

>  <URL> (84)
http://www.selleckchem.com/products/Ki8751.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/06102009132D

 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
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   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
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 24  8  2  0  0  0  0
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 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C22H19Cl3N8

>  <MolWeight> (85)
501.79886

>  <Cat> (85)
S2924

>  <Name> (85)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (85)
N/A

>  <Target> (85)
PI3K/Akt/mTOR

>  <Form> (85)
Hydrochloride

>  <CAS> (85)
252917-06-9 (free base)

>  <URL> (85)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Pelitinib.cdx
csChFnd80/06102009132D

 33 35  0  0  0  0  0  0  0  0999 V2000
    8.4576    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0949    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    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
   14.5156    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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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
  8 11  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 29 33  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C24H23ClFN5O2

>  <MolWeight> (86)
467.9231232

>  <Cat> (86)
S1392

>  <Name> (86)
Pelitinib (EKB-569)

>  <Synonyms> (86)
WAY-EKB 569

>  <Target> (86)
EGFR

>  <Form> (86)
Free Base

>  <CAS> (86)
257933-82-7

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

$$$$
resveratrol.cdx
csChFnd80/06102009132D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0627    4.6764    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
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C14H12O3

>  <MolWeight> (87)
228.24328

>  <Cat> (87)
S1396

>  <Name> (87)
Resveratrol

>  <Synonyms> (87)
N/A

>  <Target> (87)
Sirtuin

>  <Form> (87)
Free Base

>  <CAS> (87)
501-36-0

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/06102009132D

 42 46  0  0  0  0  0  0  0  0999 V2000
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   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
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   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (88)
88

>  <Formula> (88)
C31H31ClFN7O2

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>  <Name> (88)
Aurora A Inhibitor I

>  <Synonyms> (88)
N/A

>  <Target> (88)
Aurora Kinase

>  <Form> (88)
Free Base

>  <CAS> (88)
1158838-45-9

>  <URL> (88)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
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>  <Mol_ID> (89)
89

>  <Formula> (89)
C28H35N7O2

>  <MolWeight> (89)
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>  <Cat> (89)
S1454

>  <Name> (89)
PHA-680632

>  <Synonyms> (89)
N/A

>  <Target> (89)
Aurora Kinase

>  <Form> (89)
Free Base

>  <CAS> (89)
398493-79-3

>  <URL> (89)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (90)
90

>  <Formula> (90)
C15H13N5OS

>  <MolWeight> (90)
311.36162

>  <Cat> (90)
S1459

>  <Name> (90)
Thiazovivin

>  <Synonyms> (90)
N/A

>  <Target> (90)
ROCK

>  <Form> (90)
Free Base

>  <CAS> (90)
1226056-71-8

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

$$$$
sp600125.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
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>  <MolWeight> (91)
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>  <Synonyms> (91)
N/A

>  <Target> (91)
JNK

>  <Form> (91)
Free Base

>  <CAS> (91)
129-56-6

>  <URL> (91)
http://www.selleckchem.com/products/SP600125.html

$$$$
TSU-68 (SU6668).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (92)
92

>  <Formula> (92)
C18H18N2O3

>  <MolWeight> (92)
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>  <Cat> (92)
S1470

>  <Name> (92)
Orantinib (TSU-68, SU6668)

>  <Synonyms> (92)
NSC 702827

>  <Target> (92)
VEGFR, PDGFR , FGFR 

>  <Form> (92)
Free Base

>  <CAS> (92)
252916-29-3

>  <URL> (92)
http://www.selleckchem.com/products/TSU-68(SU6668).html

$$$$
GSK429286A.cdx
csChFnd80/06102009132D

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N/A 

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EGFR, Flt, VEGFR, HER2

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497839-62-0

>  <URL> (97)
http://www.selleckchem.com/products/AEE788.html

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>  <Mol_ID> (98)
98

>  <Formula> (98)
C19H31N5O2

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361.48174

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S1487

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PHA-793887

>  <Synonyms> (98)
N/A

>  <Target> (98)
CDK

>  <Form> (98)
Free Base

>  <CAS> (98)
718630-59-2

>  <URL> (98)
http://www.selleckchem.com/products/PHA-793887.html

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (99)
99

>  <Formula> (99)
C14H16ClN3O4S2

>  <MolWeight> (99)
389.87754

>  <Cat> (99)
S1489

>  <Name> (99)
PIK-93

>  <Synonyms> (99)
N/A

>  <Target> (99)
PI3K, VEGFR

>  <Form> (99)
Free Base

>  <CAS> (99)
593960-11-3

>  <URL> (99)
http://www.selleckchem.com/products/PIK-93.html

$$$$
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>  <Mol_ID> (100)
100

>  <Formula> (100)
C29H27F3N6O

>  <MolWeight> (100)
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>  <Cat> (100)
S1490

>  <Name> (100)
Ponatinib (AP24534)

>  <Synonyms> (100)
N/A 

>  <Target> (100)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (100)
Free Base

>  <CAS> (100)
943319-70-8

>  <URL> (100)
http://www.selleckchem.com/products/AP24534.html

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1349796-36-6

>  <URL> (102)
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844442-38-2

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http://www.selleckchem.com/products/AT7519.html

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>  <URL> (104)
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>  <Mol_ID> (105)
105

>  <Formula> (105)
C29H32N6O4S

>  <MolWeight> (105)
560.66718

>  <Cat> (105)
S1526

>  <Name> (105)
Quizartinib (AC220)

>  <Synonyms> (105)
N/A 

>  <Target> (105)
Flt

>  <Form> (105)
Free Base

>  <CAS> (105)
950769-58-1

>  <URL> (105)
http://www.selleckchem.com/products/AC-220.html

$$$$
Hesperadin .cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C29H32N4O3S

>  <MolWeight> (106)
516.65438

>  <Cat> (106)
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>  <Name> (106)
Hesperadin

>  <Synonyms> (106)
N/A

>  <Target> (106)
Aurora Kinase

>  <Form> (106)
Free Base

>  <CAS> (106)
422513-13-1

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

$$$$
BIX02188.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (107)
107

>  <Formula> (107)
C26H26N4O2

>  <MolWeight> (107)
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>  <Cat> (107)
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>  <Name> (107)
BIX 02188

>  <Synonyms> (107)
N/A

>  <Target> (107)
MEK 

>  <Form> (107)
Free Base

>  <CAS> (107)
1094614-84-2

>  <URL> (107)
http://www.selleckchem.com/products/BIX-02188.html

$$$$
BIX02189.cdx
csChFnd80/06102009132D

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860352-01-8

>  <URL> (109)
http://www.selleckchem.com/products/AZD7762.html

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Syk 

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841290-80-0

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

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1009298-09-2

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>  <Mol_ID> (113)
113

>  <Formula> (113)
C20H21ClN4O4

>  <MolWeight> (113)
416.85814

>  <Cat> (113)
S1557

>  <Name> (113)
KRN 633

>  <Synonyms> (113)
N/A 

>  <Target> (113)
VEGFR, PDGFR

>  <Form> (113)
Free Base

>  <CAS> (113)
286370-15-8

>  <URL> (113)
http://www.selleckchem.com/products/KRN-633.html

$$$$
AT7867.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (114)
114

>  <Formula> (114)
C20H20ClN3

>  <MolWeight> (114)
337.8459

>  <Cat> (114)
S1558

>  <Name> (114)
AT7867

>  <Synonyms> (114)
N/A

>  <Target> (114)
Akt, S6 kinase

>  <Form> (114)
Free Base

>  <CAS> (114)
857531-00-1

>  <URL> (114)
http://www.selleckchem.com/products/AT7867.html

$$$$
BMS777607.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (115)
115

>  <Formula> (115)
C25H19ClF2N4O4

>  <MolWeight> (115)
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S1561

>  <Name> (115)
BMS 777607

>  <Synonyms> (115)
N/A 

>  <Target> (115)
c-Met

>  <Form> (115)
Free Base

>  <CAS> (115)
1025720-94-8

>  <URL> (115)
http://www.selleckchem.com/products/BMS-777607.html

$$$$
PD318088.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (116)
116

>  <Formula> (116)
C16H13BrF3IN2O4

>  <MolWeight> (116)
561.0890996

>  <Cat> (116)
S1568

>  <Name> (116)
PD318088

>  <Synonyms> (116)
N/A

>  <Target> (116)
MEK 

>  <Form> (116)
Free Base

>  <CAS> (116)
391210-00-7 

>  <URL> (116)
http://www.selleckchem.com/products/PD318088.html

$$$$
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   18.1571    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  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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 10  6  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 21  2  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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 23 26  2  0  0  0  0
 19 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
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 37 25  1  0  0  0  0
 36 38  1  1  0  0  0
 34 39  1  1  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C30H33N3O5S

>  <MolWeight> (117)
547.66512

>  <Cat> (117)
S1570

>  <Name> (117)
KU-60019

>  <Synonyms> (117)
N/A

>  <Target> (117)
ATM 

>  <Form> (117)
Free Base

>  <CAS> (117)
925701-49-1

>  <URL> (117)
http://www.selleckchem.com/products/KU-60019.html

$$$$
BS-181.cdx
csChFnd80/06102009132D

 29 30  0  0  0  0  0  0  0  0999 V2000
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   10.8741   11.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8741   10.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  3 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
  1 21  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C22H33ClN6

>  <MolWeight> (118)
416.99062

>  <Cat> (118)
S1572

>  <Name> (118)
BS-181 HCl

>  <Synonyms> (118)
N/A

>  <Target> (118)
CDK 

>  <Form> (118)
Hydrochloride

>  <CAS> (118)
1397219-81-6

>  <URL> (118)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/06102009132D

 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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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 10  3  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 17 18  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> (119)
119

>  <Formula> (119)
C14H18ClN3O2S

>  <MolWeight> (119)
327.82962

>  <Cat> (119)
S1573

>  <Name> (119)
Fasudil HCl (HA-1077)

>  <Synonyms> (119)
AT-877 

>  <Target> (119)
ROCK

>  <Form> (119)
Hydrochloride

>  <CAS> (119)
105628-07-7

>  <URL> (119)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/06102009132D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   11.9409    5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 18 20  2  0  0  0  0
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 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
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 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
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 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C31H37N5O3

>  <MolWeight> (120)
527.65718

>  <Cat> (120)
S1574

>  <Name> (120)
BIRB 796 (Doramapimod)

>  <Synonyms> (120)
N/A

>  <Target> (120)
p38 MAPK

>  <Form> (120)
Free Base

>  <CAS> (120)
285983-48-4

>  <URL> (120)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/06102009132D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    8.4786    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3499    6.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    7.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    6.4176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9251    5.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375    4.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    2.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8282    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    4.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    3.4976    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   16.9209    2.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9209    4.7058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 14 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
 18 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 18  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C26H21N3O2S

>  <MolWeight> (121)
439.52884

>  <Cat> (121)
S1577

>  <Name> (121)
Tie2 kinase inhibitor

>  <Synonyms> (121)
N/A

>  <Target> (121)
Tie-2

>  <Form> (121)
Free Base

>  <CAS> (121)
948557-43-5

>  <URL> (121)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/06102009132D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -13.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0125   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  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 17  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C27H30Cl2F2N6O

>  <MolWeight> (122)
563.4695064

>  <Cat> (122)
S2686

>  <Name> (122)
NVP-BSK805 2HCl

>  <Synonyms> (122)
N/A

>  <Target> (122)
JAK

>  <Form> (122)
HCl

>  <CAS> (122)
1092499-93-8 (free base)

>  <URL> (122)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/06102009132D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    3.0851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C5H9NO3S

>  <MolWeight> (123)
163.19486

>  <Cat> (123)
S1623

>  <Name> (123)
Acetylcysteine

>  <Synonyms> (123)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (123)
AChR

>  <Form> (123)
Free Base

>  <CAS> (123)
616-91-1

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/06102009132D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C7H7NO3

>  <MolWeight> (124)
153.13538

>  <Cat> (124)
S1681

>  <Name> (124)
Mesalamine (Lialda)

>  <Synonyms> (124)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (124)
I¦ÊB/IKK

>  <Form> (124)
Free Base

>  <CAS> (124)
89-57-6

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

$$$$
DCC-2036.cdx
csChFnd80/06102009132D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3036    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9863    2.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    0.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    2.0728    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6789    4.8679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8872    2.7704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4707    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    4.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2550    3.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9017    6.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6510    8.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 24 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 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 34 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 35  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C30H28FN7O3

>  <MolWeight> (125)
553.5868232

>  <Cat> (125)
S2634

>  <Name> (125)
DCC-2036 (Rebastinib)

>  <Synonyms> (125)
N/A 

>  <Target> (125)
Bcr-Abl

>  <Form> (125)
Free Base

>  <CAS> (125)
1020172-07-9

>  <URL> (125)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/06102009132D

 63 68  0  0  0  0  0  0  0  0999 V2000
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C50H46CaF2N2O8

>  <MolWeight> (126)
880.9836464

>  <Cat> (126)
S1759

>  <Name> (126)
Pitavastatin calcium (Livalo)

>  <Synonyms> (126)
Livalo

>  <Target> (126)
HMG-CoA Reductase

>  <Form> (126)
Calcium salt

>  <CAS> (126)
147526-32-7

>  <URL> (126)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  9  1  6  0  0  0
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 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C10H13N5O4

>  <MolWeight> (127)
267.24132

>  <Cat> (127)
S1784

>  <Name> (127)
Vidarabine (Vira-A)

>  <Synonyms> (127)
Vira-A

>  <Target> (127)
5-alpha Reductase 

>  <Form> (127)
Free Base

>  <CAS> (127)
5536-17-4

>  <URL> (127)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
ADALAT (nifedipine).cdx
csChFnd80/06102009132D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C17H18N2O6

>  <MolWeight> (128)
346.33462

>  <Cat> (128)
S1808

>  <Name> (128)
Nifedipine (Adalat)

>  <Synonyms> (128)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (128)
Calcium Channel

>  <Form> (128)
Free Base

>  <CAS> (128)
21829-25-4

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

$$$$
Baricitinib.cdx
csChFnd80/06102009132D

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    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  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
  8 12  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
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C16H17N7O2S

>  <MolWeight> (129)
371.41688

>  <Cat> (129)
S2851

>  <Name> (129)
Baricitinib (LY3009104)

>  <Synonyms> (129)
INCB 28050

>  <Target> (129)
JAK

>  <Form> (129)
Free Base

>  <CAS> (129)
1187594-09-7

>  <URL> (129)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Methylthiouracil.cdx
csChFnd80/06102009132D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C5H6N2OS

>  <MolWeight> (130)
142.17894

>  <Cat> (130)
S3138

>  <Name> (130)
Methylthiouracil

>  <Synonyms> (130)
N/A

>  <Target> (130)
Others

>  <Form> (130)
Free Base

>  <CAS> (130)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/06102009132D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C4H12ClN5

>  <MolWeight> (131)
165.62458

>  <Cat> (131)
S1950

>  <Name> (131)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (131)
Glucophage, Riomet, Diabex

>  <Target> (131)
Others

>  <Form> (131)
Hydrochloride

>  <CAS> (131)
1115-70-4

>  <URL> (131)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Biochanin A.cdx
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 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  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C16H12O5

>  <MolWeight> (132)
284.26348

>  <Cat> (132)
S2377

>  <Name> (132)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (132)
4-Methylgenistein

>  <Target> (132)
FAAH

>  <Form> (132)
Free Base

>  <CAS> (132)
491-80-5

>  <URL> (132)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Indirubin.cdx
csChFnd80/06102009132D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C16H10N2O2

>  <MolWeight> (133)
262.2628

>  <Cat> (133)
S2386

>  <Name> (133)
Indirubin

>  <Synonyms> (133)
N/A

>  <Target> (133)
GSK-3

>  <Form> (133)
Free Base

>  <CAS> (133)
479-41-4 

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

$$$$
Quercetin.cdx
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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> (134)
134

>  <Formula> (134)
C15H10O7

>  <MolWeight> (134)
302.2357

>  <Cat> (134)
S2391

>  <Name> (134)
Quercetin (Sophoretin)

>  <Synonyms> (134)
Meletin, Quercetine

>  <Target> (134)
PI3K, PKC, Src, Sirtuin

>  <Form> (134)
Free Base

>  <CAS> (134)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/06102009132D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    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
    6.0538    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  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
  3  8  1  1  0  0  0
  5  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  2 19  1  6  0  0  0
  4 20  1  6  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C14H20O7

>  <MolWeight> (135)
300.3044

>  <Cat> (135)
S2396

>  <Name> (135)
Salidroside (Rhodioloside)

>  <Synonyms> (135)
Rhodioloside

>  <Target> (135)
Others

>  <Form> (135)
Free Base

>  <CAS> (135)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6321    6.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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MEK

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Free Base

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869357-68-6

>  <URL> (137)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

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Flt, Bcr-Abl, Aurora Kinase

>  <Form> (138)
Free Base

>  <CAS> (138)
1000669-72-6

>  <URL> (138)
http://www.selleckchem.com/products/KW-2449.html

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927880-90-8

>  <URL> (139)
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>  <Mol_ID> (140)
140

>  <Formula> (140)
C9H6O4

>  <MolWeight> (140)
178.14154

>  <Cat> (140)
S2554

>  <Name> (140)
Daphnetin

>  <Synonyms> (140)
N/A 

>  <Target> (140)
DNA/RNA Synthesis

>  <Form> (140)
Free Base

>  <CAS> (140)
486-35-1

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

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

>  <Formula> (141)
C23H25ClFN7O

>  <MolWeight> (141)
469.9423032

>  <Cat> (141)
S2179

>  <Name> (141)
Gandotinib (LY2784544)

>  <Synonyms> (141)
N/A

>  <Target> (141)
JAK 

>  <Form> (141)
Free Base

>  <CAS> (141)
1229236-86-5

>  <URL> (141)
http://www.selleckchem.com/products/LY2784544.html

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AZD8931.cdx
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>  <Mol_ID> (142)
142

>  <Formula> (142)
C23H25ClFN5O3

>  <MolWeight> (142)
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>  <Cat> (142)
S2192

>  <Name> (142)
AZD8931

>  <Synonyms> (142)
N/A

>  <Target> (142)
EGFR, HER2

>  <Form> (142)
Free Base

>  <CAS> (142)
848942-61-0

>  <URL> (142)
http://www.selleckchem.com/products/AZD8931.html

$$$$
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>  <Mol_ID> (143)
143

>  <Formula> (143)
C27H28F3N5O2S

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>  <Cat> (143)
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>  <Name> (143)
GSK461364

>  <Synonyms> (143)
N/A

>  <Target> (143)
PLK

>  <Form> (143)
Free Base

>  <CAS> (143)
929095-18-1

>  <URL> (143)
http://www.selleckchem.com/products/GSK461364.html

$$$$
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144

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C28H29FN6O8S

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N/A

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Syk, Flt

>  <Form> (144)
Besylate

>  <CAS> (144)
841290-81-1

>  <URL> (144)
http://www.selleckchem.com/products/R406.html

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csChFnd80/06102009132D

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>  <Mol_ID> (145)
145

>  <Formula> (145)
C20H22F3N5O

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405.4167896

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S2198

>  <Name> (145)
SGI-1776 free base

>  <Synonyms> (145)
N/A

>  <Target> (145)
Pim

>  <Form> (145)
Free Base

>  <CAS> (145)
1025065-69-3

>  <URL> (145)
http://www.selleckchem.com/products/SGI-1776.html

$$$$
BMS817378.cdx
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>  <Mol_ID> (146)
146

>  <Formula> (146)
C23H15ClF2N4O3

>  <MolWeight> (146)
468.8400064

>  <Cat> (146)
S2201

>  <Name> (146)
BMS 794833

>  <Synonyms> (146)
BMS794833

>  <Target> (146)
c-Met, VEGFR

>  <Form> (146)
Free Base

>  <CAS> (146)
1174046-72-0

>  <URL> (146)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
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csChFnd80/06102009132D

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147

>  <Formula> (147)
C26H20F3N7O

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S2202

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NVP-BHG712

>  <Synonyms> (147)
N/A

>  <Target> (147)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (147)
Free Base

>  <CAS> (147)
940310-85-0

>  <URL> (147)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
OSI 420.cdx
csChFnd80/06102009132D

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EGFR

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Hydrochloride

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183320-51-6

>  <URL> (148)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

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>  <Mol_ID> (149)
149

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C22H19N7O

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PIK-293

>  <Synonyms> (149)
N/A

>  <Target> (149)
PI3K

>  <Form> (149)
Free Base

>  <CAS> (149)
900185-01-5 

>  <URL> (149)
http://www.selleckchem.com/products/PIK-293.html

$$$$
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>  <Mol_ID> (150)
150

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C18H16F2N6

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S2214

>  <Name> (150)
AZ 960

>  <Synonyms> (150)
N/A

>  <Target> (150)
JAK

>  <Form> (150)
Free Base

>  <CAS> (150)
905586-69-8

>  <URL> (150)
http://www.selleckchem.com/products/AZ-960.html

$$$$
Mubritinib.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (151)
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C25H23F3N4O2

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>  <Cat> (151)
S2216

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>  <Synonyms> (151)
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>  <Target> (151)
HER2

>  <Form> (151)
Free Base

>  <CAS> (151)
366017-09-6

>  <URL> (151)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
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>  <Mol_ID> (152)
152

>  <Formula> (152)
C16H16N6O

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S2218

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Torkinib (PP242)

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TORKinib 

>  <Target> (152)
mTOR

>  <Form> (152)
Free Base

>  <CAS> (152)
1092351-67-1

>  <URL> (152)
http://www.selleckchem.com/products/PP242.html

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csChFnd80/06102009132D

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>  <Mol_ID> (153)
153

>  <Formula> (153)
C23H22N6O2

>  <MolWeight> (153)
414.45978

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S2219

>  <Name> (153)
Momelotinib (CYT387)

>  <Synonyms> (153)
CYT 11387 

>  <Target> (153)
JAK 

>  <Form> (153)
Free Base

>  <CAS> (153)
1056634-68-4

>  <URL> (153)
http://www.selleckchem.com/products/Cyt387.html

$$$$
SB 590885.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (154)
154

>  <Formula> (154)
C27H27N5O2

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>  <Cat> (154)
S2220

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SB590885

>  <Synonyms> (154)
GSK2118436 

>  <Target> (154)
Raf

>  <Form> (154)
Free Base

>  <CAS> (154)
405554-55-4 

>  <URL> (154)
http://www.selleckchem.com/products/SB590885.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (155)
155

>  <Formula> (155)
C22H18O11

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>  <Name> (155)
(-)-Epigallocatechin gallate

>  <Synonyms> (155)
EGCG

>  <Target> (155)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (155)
Free Base

>  <CAS> (155)
989-51-5

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

$$$$
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    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C15H10O5

>  <MolWeight> (156)
270.2369

>  <Cat> (156)
S2262

>  <Name> (156)
Apigenin

>  <Synonyms> (156)
N/A

>  <Target> (156)
P450

>  <Form> (156)
Free Base

>  <CAS> (156)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/06102009132D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.5249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.1249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.5249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.2249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.6249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    7.3249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    8.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    8.7249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.8249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953   10.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.9249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.5297    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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  1 23  1  6  0  0  0
  4 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
  5 31  1  1  0  0  0
  9 32  1  1  0  0  0
 18 33  1  1  0  0  0
 22 34  1  1  0  0  0
 17 35  1  1  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 28 38  1  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C30H48O5

>  <MolWeight> (157)
488.69912

>  <Cat> (157)
S2266

>  <Name> (157)
Asiatic acid

>  <Synonyms> (157)
N/A

>  <Target> (157)
p38 MAPK

>  <Form> (157)
Free Base

>  <CAS> (157)
464-92-6

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

$$$$
Emodin.cdx
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  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  5  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
  6 17  2  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C15H10O5

>  <MolWeight> (158)
270.2369

>  <Cat> (158)
S2295

>  <Name> (158)
Emodin

>  <Synonyms> (158)
N/A

>  <Target> (158)
Dehydrogenase

>  <Form> (158)
Free Base

>  <CAS> (158)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 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  1  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C16H12O4

>  <MolWeight> (159)
268.26408

>  <Cat> (159)
S2299

>  <Name> (159)
Formononetin (Formononetol)

>  <Synonyms> (159)
Biochanin B, Formononetol 

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <CAS> (159)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/06102009132D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C10H10O4

>  <MolWeight> (160)
194.184

>  <Cat> (160)
S2300

>  <Name> (160)
Fumalic acid (Ferulic acid)

>  <Synonyms> (160)
Ferulic acid

>  <Target> (160)
Others

>  <Form> (160)
Free Base

>  <CAS> (160)
1135-24-6

>  <URL> (160)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Honokiol.cdx
csChFnd80/06102009132D

 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
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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> (161)
161

>  <Formula> (161)
C18H18O2

>  <MolWeight> (161)
266.33432

>  <Cat> (161)
S2310

>  <Name> (161)
Honokiol

>  <Synonyms> (161)
N/A

>  <Target> (161)
Akt, MEK

>  <Form> (161)
Free Base

>  <CAS> (161)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.5927    0.0000 C   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
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  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
  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
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C15H10O8

>  <MolWeight> (162)
318.2351

>  <Cat> (162)
S2326

>  <Name> (162)
Myricetin (Cannabiscetin)

>  <Synonyms> (162)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (162)
NULL

>  <Form> (162)
Free Base

>  <CAS> (162)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/06102009132D

 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
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    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
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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> (163)
163

>  <Formula> (163)
C21H20O12

>  <MolWeight> (163)
464.3763

>  <Cat> (163)
S2327

>  <Name> (163)
Myricitrin (Myricitrine)

>  <Synonyms> (163)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (163)
PKC

>  <Form> (163)
Free Base

>  <CAS> (163)
17912-87-7

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

$$$$
Dihydromyricetin.cdx
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C15H12O8

>  <MolWeight> (164)
320.25098

>  <Cat> (164)
S2399

>  <Name> (164)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (164)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (164)
Others

>  <Form> (164)
Free Base

>  <CAS> (164)
27200-12-0

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

$$$$
Chrysophanic acid.cdx
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C15H10O4

>  <MolWeight> (165)
254.2375

>  <Cat> (165)
S2406

>  <Name> (165)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (165)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (165)
EGFR, mTOR

>  <Form> (165)
Free Base

>  <CAS> (165)
481-74-3

>  <URL> (165)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

$$$$
Curcumol.cdx
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C15H24O2

>  <MolWeight> (166)
236.34986

>  <Cat> (166)
S2407

>  <Name> (166)
Curcumol

>  <Synonyms> (166)
N/A

>  <Target> (166)
JAK

>  <Form> (166)
Free Base

>  <CAS> (166)
4871-97-0

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

$$$$
Imatinib.cdx
csChFnd80/06102009132D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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152459-95-5

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C26H35N7O2S

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N/A

>  <Target> (170)
Flt, JAK, c-RET

>  <Form> (170)
Free Base

>  <CAS> (170)
936091-14-4

>  <URL> (170)
http://www.selleckchem.com/products/tg101209.html

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>  <Mol_ID> (171)
171

>  <Formula> (171)
C28H21N7OS

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S2719

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AMG 900

>  <Synonyms> (171)
N/A

>  <Target> (171)
Aurora Kinase

>  <Form> (171)
Free Base

>  <CAS> (171)
945595-80-2

>  <URL> (171)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (172)
172

>  <Formula> (172)
C22H30Cl2N4O6

>  <MolWeight> (172)
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>  <Cat> (172)
S2485

>  <Name> (172)
Mitoxantrone 2HCl

>  <Synonyms> (172)
NSC-301739

>  <Target> (172)
Topoisomerase

>  <Form> (172)
Dihydrochloride

>  <CAS> (172)
70476-82-3

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

$$$$
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>  <Mol_ID> (173)
173

>  <Formula> (173)
C25H17F2N5O3S

>  <MolWeight> (173)
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>  <Cat> (173)
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>  <Name> (173)
Omipalisib (GSK2126458, GSK458)

>  <Synonyms> (173)
N/A 

>  <Target> (173)
PI3K, mTOR

>  <Form> (173)
Free Base

>  <CAS> (173)
1086062-66-9 

>  <URL> (173)
http://www.selleckchem.com/products/gsk2126458.html

$$$$
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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C19H34ClNO2

>  <MolWeight> (174)
343.93176

>  <Cat> (174)
S5002

>  <Name> (174)
Fingolimod (FTY720) HCl

>  <Synonyms> (174)
Gilenia 

>  <Target> (174)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (174)
Hydrochloride

>  <URL> (174)
http://www.selleckchem.com/products/FTY720.html

$$$$
CP-690550 citrate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C22H28N6O8

>  <MolWeight> (175)
504.49312

>  <Cat> (175)
S5001

>  <Name> (175)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (175)
N/A 

>  <Target> (175)
JAK

>  <Form> (175)
Citrate

>  <CAS> (175)
540737-29-9

>  <URL> (175)
http://www.selleckchem.com/products/CP-690550.html

$$$$
CAL-1011.cdx
csChFnd80/06102009132D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C22H18FN7O

>  <MolWeight> (176)
415.4230232

>  <Cat> (176)
S2226

>  <Name> (176)
CAL-101 (GS-1101)

>  <Synonyms> (176)
CAL101

>  <Target> (176)
PI3K 

>  <Form> (176)
Free Base

>  <CAS> (176)
870281-82-6

>  <URL> (176)
http://www.selleckchem.com/products/CAL-101.html

$$$$
BI 6727.cdx
csChFnd80/06102009132D

 45 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C34H50N8O3

>  <MolWeight> (177)
618.8126

>  <Cat> (177)
S2235

>  <Name> (177)
BI6727 (Volasertib)

>  <Synonyms> (177)
N/A 

>  <Target> (177)
PLK 

>  <Form> (177)
Free Base

>  <CAS> (177)
755038-65-4

>  <URL> (177)
http://www.selleckchem.com/products/BI6727-Volasertib.html

$$$$
PIK-294.cdx
csChFnd80/06102009132D

 37 42  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (178)
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>  <Formula> (178)
C28H23N7O2

>  <MolWeight> (178)
489.52792

>  <Cat> (178)
S2227

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PIK-294

>  <Synonyms> (178)
N/A 

>  <Target> (178)
PI3K 

>  <Form> (178)
Free Base

>  <CAS> (178)
900185-02-6

>  <URL> (178)
http://www.selleckchem.com/products/PIK-294.html

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (179)
179

>  <Formula> (179)
C20H16ClN5O3

>  <MolWeight> (179)
409.82574

>  <Cat> (179)
S2231

>  <Name> (179)
Telatinib (BAY 57-9352)

>  <Synonyms> (179)
N/A 

>  <Target> (179)
VEGFR, PDGFR, c-Kit

>  <Form> (179)
Free Base

>  <CAS> (179)
332012-40-5

>  <URL> (179)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (180)
180

>  <Formula> (180)
C10H16ClN5

>  <MolWeight> (180)
241.72054

>  <Cat> (180)
S2542

>  <Name> (180)
Phenformin hydrochloride 

>  <Synonyms> (180)
N/A

>  <Target> (180)
AMPK

>  <Form> (180)
Hydrochloride 

>  <CAS> (180)
834-28-6

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

$$$$
AZD5438.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (181)
181

>  <Formula> (181)
C18H21N5O2S

>  <MolWeight> (181)
371.45664

>  <Cat> (181)
S2621

>  <Name> (181)
AZD5438

>  <Synonyms> (181)
N/A 

>  <Target> (181)
CDK

>  <Form> (181)
Free Base

>  <CAS> (181)
602306-29-6 

>  <URL> (181)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (182)
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>  <Formula> (182)
C21H22N6O3

>  <MolWeight> (182)
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>  <Synonyms> (182)
N/A 

>  <Target> (182)
mTOR

>  <Form> (182)
Free Base

>  <CAS> (182)
936890-98-1

>  <URL> (182)
http://www.selleckchem.com/products/OSI027.html

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>  <Mol_ID> (183)
183

>  <Formula> (183)
C17H17N7

>  <MolWeight> (183)
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PP-121

>  <Synonyms> (183)
N/A

>  <Target> (183)
DNA-PK, mTOR, PDGF

>  <Form> (183)
Free Base

>  <CAS> (183)
1092788-83-4

>  <URL> (183)
http://www.selleckchem.com/products/PP121.html

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csChFnd80/06102009132D

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C19H18BrN3O

>  <MolWeight> (184)
384.26972

>  <Cat> (184)
S2243

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Degrasyn (WP1130)

>  <Synonyms> (184)
N/A

>  <Target> (184)
DUB, Bcr-Abl

>  <Form> (184)
Free Base

>  <CAS> (184)
856243-80-6

>  <URL> (184)
http://www.selleckchem.com/products/WP1130.html

$$$$
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csChFnd80/06102009132D

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>  <Mol_ID> (185)
185

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C18H21F3N6O2

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410.3935496

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S2247

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BKM120 (NVP-BKM120)

>  <Synonyms> (185)
N/A 

>  <Target> (185)
PI3K

>  <Form> (185)
Free Base

>  <CAS> (185)
944396-07-0

>  <URL> (185)
http://www.selleckchem.com/products/BKM-120.html

$$$$
CX-4945.cdx
csChFnd80/06102009132D

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N/A 

>  <Target> (186)
PKC

>  <Form> (186)
Free Base

>  <CAS> (186)
1009820-21-6

>  <URL> (186)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

$$$$
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mTOR

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Free Base

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1144068-46-1

>  <URL> (200)
http://www.selleckchem.com/products/wye-125132.html

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IGF-1R

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1001350-96-4

>  <URL> (201)
http://www.selleckchem.com/products/BMS-754807.html

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>  <Form> (202)
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>  <CAS> (202)
601514-19-6

>  <URL> (202)
http://www.selleckchem.com/products/TWS119.html

$$$$
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871700-17-3

>  <URL> (207)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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c-Met

>  <Form> (208)
Free Base

>  <CAS> (208)
477575-56-7

>  <URL> (208)
http://www.selleckchem.com/products/PHA-665752.html

$$$$
Geldanamycin.cdx
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C29H40N2O9

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>  <Name> (209)
Geldanamycin

>  <Synonyms> (209)
N/A

>  <Target> (209)
HSP

>  <Form> (209)
Free Base

>  <CAS> (209)
30562-34-6

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

$$$$
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>  <Mol_ID> (210)
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>  <Synonyms> (210)
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>  <Target> (210)
AMPK

>  <Form> (210)
Free Base

>  <CAS> (210)
844499-71-4

>  <URL> (210)
http://www.selleckchem.com/products/a-769662.html

$$$$
KX2-391.cdx
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1116235-97-2

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215

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Fedratinib (SAR302503, TG101348)

>  <Synonyms> (215)
N/A

>  <Target> (215)
JAK 

>  <Form> (215)
Free Base

>  <CAS> (215)
936091-26-8

>  <URL> (215)
http://www.selleckchem.com/products/tg-101348.html

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>  <Mol_ID> (216)
216

>  <Formula> (216)
C24H32N6O3

>  <MolWeight> (216)
452.54928

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S2731

>  <Name> (216)
AZ 3146

>  <Synonyms> (216)
N/A

>  <Target> (216)
Kinesin

>  <Form> (216)
Free Base

>  <CAS> (216)
1124329-14-1

>  <URL> (216)
http://www.selleckchem.com/products/az-3146.html

$$$$
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>  <Mol_ID> (217)
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>  <Synonyms> (217)
N/A

>  <Target> (217)
PI3K, mTOR

>  <Form> (217)
Free Base

>  <CAS> (217)
1007207-67-1

>  <URL> (217)
http://www.selleckchem.com/products/ch5132799.html

$$$$
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218

>  <Formula> (218)
C23H30N8O3S

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>  <Cat> (218)
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>  <Name> (218)
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>  <Synonyms> (218)
N/A 

>  <Target> (218)
mTOR, PI3K

>  <Form> (218)
Free Base

>  <CAS> (218)
1032754-93-0

>  <URL> (218)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (219)
219

>  <Formula> (219)
C21H21Cl2NO5

>  <MolWeight> (219)
438.30114

>  <Cat> (219)
S2679

>  <Name> (219)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (219)
N/A

>  <Target> (219)
CDK

>  <Form> (219)
Hydrochloride

>  <CAS> (219)
131740-09-5

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

$$$$
PH797804.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (220)
220

>  <Formula> (220)
C22H19BrF2N2O3

>  <MolWeight> (220)
477.2986664

>  <Cat> (220)
S2726

>  <Name> (220)
PH-797804

>  <Synonyms> (220)
N/A

>  <Target> (220)
p38 MAPK

>  <Form> (220)
Free Base

>  <CAS> (220)
586379-66-0

>  <URL> (220)
http://www.selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (221)
221

>  <Formula> (221)
C24H25ClFN5O2

>  <MolWeight> (221)
469.9390032

>  <Cat> (221)
S2727

>  <Name> (221)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (221)
N/A

>  <Target> (221)
EGFR

>  <Form> (221)
Free Base

>  <CAS> (221)
1110813-31-4

>  <URL> (221)
http://www.selleckchem.com/products/pf299804.html

$$$$
SB415286.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (222)
222

>  <Formula> (222)
C16H10ClN3O5

>  <MolWeight> (222)
359.7207

>  <Cat> (222)
S2729

>  <Name> (222)
SB 415286

>  <Synonyms> (222)
N/A

>  <Target> (222)
GSK-3

>  <Form> (222)
Free Base

>  <CAS> (222)
264218-23-7

>  <URL> (222)
http://www.selleckchem.com/products/sb-415286.html

$$$$
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csChFnd80/06102009132D

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CDK

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779353-01-4

>  <URL> (224)
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Aurora Kinase

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1010085-13-8

>  <URL> (225)
http://www.selleckchem.com/products/mk-5108-vx-689.html

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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C16H14ClN3O2

>  <MolWeight> (227)
315.75426

>  <Cat> (227)
S2728

>  <Name> (227)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (227)
Tyrphostin AG-1478

>  <Target> (227)
EGFR

>  <Form> (227)
Free Base

>  <CAS> (227)
153436-53-4

>  <URL> (227)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C22H27N5O4

>  <MolWeight> (228)
425.48088

>  <Cat> (228)
S2743

>  <Name> (228)
PF-04691502

>  <Synonyms> (228)
N/A

>  <Target> (228)
mTOR, PI3K, Akt

>  <Form> (228)
Free Base

>  <CAS> (228)
1013101-36-4 

>  <URL> (228)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C28H32ClN3O6

>  <MolWeight> (229)
542.02318

>  <Cat> (229)
S2017

>  <Name> (229)
Benidipine hydrochloride

>  <Synonyms> (229)
N/A

>  <Target> (229)
calcium channel

>  <Form> (229)
Hydrochloride

>  <CAS> (229)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C15H10Cl2N2O2

>  <MolWeight> (230)
321.1581

>  <Cat> (230)
S2610

>  <Name> (230)
Lonidamine

>  <Synonyms> (230)
N/A

>  <Target> (230)
Others

>  <Form> (230)
Free Base

>  <CAS> (230)
50264-69-2

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

$$$$
AMG 458.cdx
csChFnd80/06102009132D

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c-Met

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913376-83-7 

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http://www.selleckchem.com/products/amg458.html

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HER2, EGFR

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Free Base

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937265-83-3

>  <URL> (232)
http://www.selleckchem.com/products/arry-380.html

$$$$
PHA-848125.cdx
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233

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PHA-848125

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N/A

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CDK

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Free Base

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802539-81-7

>  <URL> (233)
http://www.selleckchem.com/products/pha-848125.html

$$$$
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878739-06-1

>  <URL> (234)
http://www.selleckchem.com/products/az628.html

$$$$
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M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C32H29F3N6O6

>  <MolWeight> (238)
650.6044696

>  <Cat> (238)
S2749

>  <Name> (238)
NVP-BGT226

>  <Synonyms> (238)
N/A 

>  <Target> (238)
PI3K, mTOR

>  <Form> (238)
Maleate

>  <CAS> (238)
1245537-68-1

>  <URL> (238)
http://www.selleckchem.com/products/nvp-bgt226.html

$$$$
YM201636.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C25H21N7O3

>  <MolWeight> (239)
467.47934

>  <Cat> (239)
S1219

>  <Name> (239)
YM201636

>  <Synonyms> (239)
N/A

>  <Target> (239)
PI3K 

>  <Form> (239)
Free Base

>  <CAS> (239)
371942-69-7

>  <URL> (239)
http://www.selleckchem.com/products/ym201636.html

$$$$
AG1024.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C14H13BrN2O

>  <MolWeight> (240)
305.16982

>  <Cat> (240)
S1234

>  <Name> (240)
AG-1024 

>  <Synonyms> (240)
N/A 

>  <Target> (240)
IGF-1R

>  <Form> (240)
Free Base

>  <CAS> (240)
65678-07-1

>  <URL> (240)
http://www.selleckchem.com/products/ag-1024-tyrphostin.html

$$$$
3-Methyladenine.cdx
csChFnd80/06102009132D

 11 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C6H7N5

>  <MolWeight> (241)
149.15328

>  <Cat> (241)
S2767

>  <Name> (241)
3-Methyladenine (3-MA)

>  <Synonyms> (241)
3-MA

>  <Target> (241)
PI3K

>  <Form> (241)
Free Base

>  <CAS> (241)
5142-23-4

>  <URL> (241)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
ARQ-197.cdx
csChFnd80/06102009132D

 30 35  0  0  0  0  0  0  0  0999 V2000
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 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C23H19N3O2

>  <MolWeight> (242)
369.41586

>  <Cat> (242)
S2753

>  <Name> (242)
ARQ 197 (Tivantinib)

>  <Synonyms> (242)
N/A 

>  <Target> (242)
c-Met

>  <Form> (242)
Free Base

>  <CAS> (242)
905854-02-6

>  <URL> (242)
http://www.selleckchem.com/products/arq-197.html

$$$$
BX-795.cdx
csChFnd80/06102009132D

 34 37  0  0  0  0  0  0  0  0999 V2000
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N/A

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Free Base

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702675-74-9

>  <URL> (243)
http://www.selleckchem.com/products/bx-795.html

$$$$
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csChFnd80/06102009132D

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244

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N/A

>  <Target> (244)
PDK-1 

>  <Form> (244)
Free Base

>  <CAS> (244)
702674-56-4

>  <URL> (244)
http://www.selleckchem.com/products/bx-912.html

$$$$
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NVP-BVU972

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N/A

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c-Met

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Free Base

>  <CAS> (245)
1185763-69-2

>  <URL> (245)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
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246

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>  <Target> (246)
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1339928-25-4

>  <URL> (246)
http://www.selleckchem.com/products/cudc-907.html

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>  <Mol_ID> (247)
247

>  <Formula> (247)
C27H33FN6O7

>  <MolWeight> (247)
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>  <Cat> (247)
S2769

>  <Name> (247)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (247)
CHIR-258 Dilactic acid 

>  <Target> (247)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (247)
Dilactic Acid 

>  <CAS> (247)
852433-84-2

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

$$$$
AST-1306.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (248)
248

>  <Formula> (248)
C31H26ClFN4O5S

>  <MolWeight> (248)
621.0783432

>  <Cat> (248)
S2185

>  <Name> (248)
AST-1306

>  <Synonyms> (248)
N/A

>  <Target> (248)
EGFR

>  <Form> (248)
Mesylate

>  <CAS> (248)
1050500-29-2

>  <URL> (248)
http://www.selleckchem.com/products/ast-1306.html

$$$$
BMS265246.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (249)
249

>  <Formula> (249)
C18H17F2N3O2

>  <MolWeight> (249)
345.3432864

>  <Cat> (249)
S2014

>  <Name> (249)
BMS-265246

>  <Synonyms> (249)
 N/A  

>  <Target> (249)
CDK

>  <Form> (249)
Free Base

>  <CAS> (249)
582315-72-8

>  <URL> (249)
http://www.selleckchem.com/products/bms-265246.html

$$$$
SB505124.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (250)
250

>  <Formula> (250)
C20H21N3O2

>  <MolWeight> (250)
335.39964

>  <Cat> (250)
S2186

>  <Name> (250)
SB-505124

>  <Synonyms> (250)
N/A 

>  <Target> (250)
TGF-beta/Smad 

>  <Form> (250)
Free Base

>  <CAS> (250)
694433-59-5

>  <URL> (250)
http://www.selleckchem.com/products/sb-505124.html

$$$$
MK-2461.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (251)
251

>  <Formula> (251)
C24H25N5O5S

>  <MolWeight> (251)
495.5508

>  <Cat> (251)
S2774

>  <Name> (251)
MK-2461

>  <Synonyms> (251)
N/A 

>  <Target> (251)
c-Met, FGFR, PDGFR

>  <Form> (251)
Free Base

>  <CAS> (251)
917879-39-1

>  <URL> (251)
http://www.selleckchem.com/products/mk-2461.html

$$$$
Nocodazole.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (252)
252

>  <Formula> (252)
C14H11N3O3S

>  <MolWeight> (252)
301.32044

>  <Cat> (252)
S2775

>  <Name> (252)
Nocodazole

>  <Synonyms> (252)
N/A 

>  <Target> (252)
Microtubule Associated

>  <Form> (252)
Free Base

>  <CAS> (252)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (253)
253

>  <Formula> (253)
C25H30N6O3

>  <MolWeight> (253)
462.5441

>  <Cat> (253)
S2783

>  <Name> (253)
Vistusertib (AZD2014)

>  <Synonyms> (253)
N/A 

>  <Target> (253)
mTOR

>  <Form> (253)
Free Base

>  <CAS> (253)
1009298-59-2

>  <URL> (253)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (254)
254

>  <Formula> (254)
C26H25ClF3N5O3

>  <MolWeight> (254)
547.9566096

>  <Cat> (254)
S2784

>  <Name> (254)
TAK-285

>  <Synonyms> (254)
N/A

>  <Target> (254)
EGFR, HER2

>  <Form> (254)
Free Base

>  <CAS> (254)
871026-44-7

>  <URL> (254)
http://www.selleckchem.com/products/tak-285.html

$$$$
CP-690550.cdx
csChFnd80/06102009132D

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477600-75-2

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http://www.selleckchem.com/products/tofacitinib-cp-690550.html

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WP1066.cdx
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Others

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10083-24-6

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

$$$$
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PKC 

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425637-18-9

>  <URL> (258)
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$$$$
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Transferase

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Free Base

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193275-84-2

>  <URL> (259)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

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FGFR

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1035270-39-3

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Akt 

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Free Base

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1001264-89-6

>  <URL> (261)
http://www.selleckchem.com/products/gdc-0068.html

$$$$
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Raf

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1195765-45-7

>  <URL> (262)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

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865854-05-3 

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>  <Mol_ID> (277)
277

>  <Formula> (277)
C33H37F2N7O4

>  <MolWeight> (277)
633.6881864

>  <Cat> (277)
S2859

>  <Name> (277)
Golvatinib (E7050) 

>  <Synonyms> (277)
E7050

>  <Target> (277)
c-Met, VEGFR

>  <Form> (277)
Free Base

>  <CAS> (277)
928037-13-2

>  <URL> (277)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (278)
278

>  <Formula> (278)
C16H14BrN3O3

>  <MolWeight> (278)
376.20466

>  <Cat> (278)
S2867

>  <Name> (278)
WHI-P154

>  <Synonyms> (278)
N/A

>  <Target> (278)
JAK, EGFR

>  <Form> (278)
Free Base

>  <CAS> (278)
211555-04-3

>  <URL> (278)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C23H28O6

>  <MolWeight> (279)
400.46482

>  <Cat> (279)
S3600

>  <Name> (279)
Schisandrin B

>  <Synonyms> (279)
N/A

>  <Target> (279)
Others

>  <Form> (279)
Free Base

>  <CAS> (279)
61281-37-6

>  <URL> (279)
http://www.selleckchem.com/products/schisandrin-b.html

$$$$
IKK-16.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (280)
280

>  <Formula> (280)
C28H29N5OS

>  <MolWeight> (280)
483.62776

>  <Cat> (280)
S2882

>  <Name> (280)
IKK-16

>  <Synonyms> (280)
N/A

>  <Target> (280)
IKK

>  <Form> (280)
Free Base

>  <CAS> (280)
873225-46-8

>  <URL> (280)
http://www.selleckchem.com/products/ikk-16.html

$$$$
PF-562271.cdx
csChFnd80/06102009132D

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501437-28-1

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http://www.selleckchem.com/products/bi-d1870.html

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10537-47-0

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ZM 323881 HCl

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193000-39-4

>  <URL> (285)
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M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C16H13ClFN3O2

>  <MolWeight> (286)
333.7447232

>  <Cat> (286)
S2897

>  <Name> (286)
ZM 306416

>  <Synonyms> (286)
N/A

>  <Target> (286)
VEGFR

>  <Form> (286)
Free Base

>  <CAS> (286)
690206-97-4

>  <URL> (286)
http://www.selleckchem.com/products/zm-306416.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C17H18N6

>  <MolWeight> (287)
306.36502

>  <Cat> (287)
S2902

>  <Name> (287)
S-Ruxolitinib

>  <Synonyms> (287)
N/A

>  <Target> (287)
JAK

>  <Form> (287)
Free Base

>  <CAS> (287)
941685-37-6

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

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C19H21ClFNO3

>  <MolWeight> (288)
365.8263432

>  <Cat> (288)
S3005

>  <Name> (288)
Paroxetine HCl

>  <Synonyms> (288)
N/A

>  <Target> (288)
5-HT Receptor

>  <Form> (288)
Hydrochloride

>  <CAS> (288)
78246-49-8

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

$$$$
PF477736.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C22H25N7O2

>  <MolWeight> (289)
419.4796

>  <Cat> (289)
S2904

>  <Name> (289)
PF 477736

>  <Synonyms> (289)
PF-00477736

>  <Target> (289)
Chk

>  <Form> (289)
Free Base

>  <CAS> (289)
952021-60-2

>  <URL> (289)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C22H21N3O4

>  <MolWeight> (294)
391.41984

>  <Cat> (294)
S2922

>  <Name> (294)
Icotinib

>  <Synonyms> (294)
BPI-2009H 

>  <Target> (294)
EGFR

>  <Form> (294)
Free Base

>  <CAS> (294)
610798-31-7

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

$$$$
TAK 715.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C24H21N3OS

>  <MolWeight> (295)
399.50804

>  <Cat> (295)
S2928

>  <Name> (295)
TAK 715

>  <Synonyms> (295)
N/A 

>  <Target> (295)
p38 MAPK

>  <Form> (295)
Free Base

>  <CAS> (295)
303162-79-0

>  <URL> (295)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/06102009132D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C10H10N2O2S

>  <MolWeight> (296)
222.2636

>  <Cat> (296)
S2926

>  <Name> (296)
TDZD-8

>  <Synonyms> (296)
N/A

>  <Target> (296)
GSK-3

>  <Form> (296)
Free Base

>  <CAS> (296)
327036-89-5 

>  <URL> (296)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/06102009132D

 29 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C20H22BrCl2N3O2S

>  <MolWeight> (297)
519.28258

>  <Cat> (297)
S1582

>  <Name> (297)
H 89 2HCl

>  <Synonyms> (297)
N/A

>  <Target> (297)
S6 Kinase

>  <Form> (297)
Dihydrochloride

>  <CAS> (297)
130964-39-5

>  <URL> (297)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 14  2  1  0  0  0  0
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M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C15H13N3O3S

>  <MolWeight> (298)
315.34702

>  <Cat> (298)
S1830

>  <Name> (298)
Oxfendazole

>  <Synonyms> (298)
N/A

>  <Target> (298)
Antifection

>  <Form> (298)
Free Base

>  <CAS> (298)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (299)
299

>  <Formula> (299)
C18H23Cl2NO

>  <MolWeight> (299)
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>  <Cat> (299)
S2499

>  <Name> (299)
Phenoxybenzamine HCl

>  <Synonyms> (299)
N/A

>  <Target> (299)
Androgen Receptor

>  <Form> (299)
HCl

>  <CAS> (299)
63-92-3

>  <URL> (299)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

$$$$
Pazopanib.cdx
csChFnd80/06102009132D

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300

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C21H23N7O2S

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S3012

>  <Name> (300)
Pazopanib

>  <Synonyms> (300)
N/A

>  <Target> (300)
VEGFR

>  <Form> (300)
Free Base

>  <CAS> (300)
444731-52-6

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

$$$$
BAY 11-7082.cdx
csChFnd80/06102009132D

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301

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C10H9NO2S

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S2913

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BAY 11-7082 (BAY 11-7821)

>  <Synonyms> (301)
N/A

>  <Target> (301)
I¦ÊB/IKK

>  <Form> (301)
Free Base

>  <CAS> (301)
19542-67-7

>  <URL> (301)
http://www.selleckchem.com/products/bay-11-7082-bay-11-7821.html

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GNF-2.cdx
csChFnd80/06102009132D

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302

>  <Formula> (302)
C18H13F3N4O2

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374.3166296

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S2899

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GNF-2

>  <Synonyms> (302)
N/A

>  <Target> (302)
Bcr-Abl

>  <Form> (302)
Free Base

>  <CAS> (302)
778270-11-4

>  <URL> (302)
http://www.selleckchem.com/products/gnf-2.html

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OSI-906.cdx
csChFnd80/06102009132D

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303

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C26H23N5O

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OSI-906 (Linsitinib)

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IGF-1R

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>  <CAS> (303)
867160-71-2

>  <URL> (303)
http://www.selleckchem.com/products/OSI-906.html

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304

>  <Formula> (304)
C9H14N4O5

>  <MolWeight> (304)
258.23126

>  <Cat> (304)
S1802

>  <Name> (304)
AICAR (Acadesine)

>  <Synonyms> (304)
AICAR, AICA-riboside

>  <Target> (304)
AMPK

>  <Form> (304)
Free Base

>  <CAS> (304)
2627-69-2

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

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (305)
305

>  <Formula> (305)
C32H30FN3O10

>  <MolWeight> (305)
635.5931032

>  <Cat> (305)
S4001

>  <Name> (305)
Cabozantinib malate

>  <Synonyms> (305)
N/A

>  <Target> (305)
VEGFR

>  <Form> (305)
Malate

>  <CAS> (305)
1140909-48-3

>  <URL> (305)
http://www.selleckchem.com/products/cabozantinib-malate.html

$$$$
PF-04708671.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (306)
306

>  <Formula> (306)
C19H21F3N6

>  <MolWeight> (306)
390.4054496

>  <Cat> (306)
S2163

>  <Name> (306)
PF-4708671

>  <Synonyms> (306)
PF-04708671

>  <Target> (306)
S6 Kinase

>  <Form> (306)
Free Base

>  <CAS> (306)
1255517-76-0

>  <URL> (306)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
SL327.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (307)
307

>  <Formula> (307)
C16H12F3N3S

>  <MolWeight> (307)
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>  <Cat> (307)
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>  <Name> (307)
SL327

>  <Synonyms> (307)
N/A

>  <Target> (307)
MEK

>  <Form> (307)
Free Base

>  <CAS> (307)
305350-87-2

>  <URL> (307)
http://www.selleckchem.com/products/SL327.html

$$$$
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128-57-4

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

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Free Base

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1410880-22-6

>  <URL> (309)
http://www.selleckchem.com/products/jnk-in-8.html

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I¦ÊB/IKK

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Free Base

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354812-17-2

>  <URL> (310)
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N/A

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Tyrosinase,p97,Syk,Src

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>  <CAS> (311)
1485-00-3

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209410-46-8

>  <URL> (312)
http://www.selleckchem.com/products/VX-745.html

$$$$
untitled.cdx
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Triciribine

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N/A

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Akt

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Free Base

>  <CAS> (313)
35943-35-2

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

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/06102009132D

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314

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C15H12O7

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S2366

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Taxifolin (Dihydroquercetin)

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VEGFR

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Free Base

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480-18-2

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

$$$$
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csChFnd80/06102009132D

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C19H20F3IN2O5S

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>  <Cat> (315)
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>  <Name> (315)
Refametinib (RDEA119, Bay 86-9766)

>  <Synonyms> (315)
BAY 869766

>  <Target> (315)
MEK

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Free Base

>  <CAS> (315)
923032-37-5

>  <URL> (315)
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$$$$
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csChFnd80/06102009132D

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316

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Dicoumarol

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Dicumarol

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Others

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>  <CAS> (316)
66-76-2

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

$$$$
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csChFnd80/06102009132D

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M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C24H25ClFN5O3

>  <MolWeight> (317)
485.9384032

>  <Cat> (317)
S1011

>  <Name> (317)
Afatinib (BIBW2992)

>  <Synonyms> (317)
N/A

>  <Target> (317)
EGFR

>  <Form> (317)
Free Base

>  <CAS> (317)
439081-18-2

>  <URL> (317)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
R-Ruxolitinib.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C17H18N6

>  <MolWeight> (318)
306.36502

>  <Cat> (318)
S1378

>  <Name> (318)
Ruxolitinib (INCB018424)

>  <Synonyms> (318)
N/A

>  <Target> (318)
JAK

>  <Form> (318)
Free Base

>  <CAS> (318)
941678-49-5

>  <URL> (318)
http://www.selleckchem.com/products/INCB18424.html

$$$$
Temsirolimus.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C56H87NO16

>  <MolWeight> (319)
1030.28708

>  <Cat> (319)
S1044

>  <Name> (319)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (319)
N/A

>  <Target> (319)
mTOR

>  <Form> (319)
Free Base

>  <CAS> (319)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/06102009132D

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1291074-87-7

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http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

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c-Met, ALK

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877399-52-5, 877399-53-6 (acetate)

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HER2

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714971-09-2

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    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  6  0  0  0
 15 21  1  1  0  0  0
 17 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C21H20ClNO5

>  <MolWeight> (324)
401.8402

>  <Cat> (324)
S1230

>  <Name> (324)
Flavopiridol (Alvocidib)

>  <Synonyms> (324)
NSC 649890 HCl,HMR-1275

>  <Target> (324)
CDK

>  <Form> (324)
Free Base

>  <CAS> (324)
146426-40-6

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

$$$$

csChFnd80/06102009132D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9710   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C6H13Li3O11

>  <MolWeight> (325)
281.98382

>  <Cat> (325)
S4519

>  <Name> (325)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (325)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (325)
Others

>  <Form> (325)
Free Base

>  <CAS> (325)
6080-58-6

>  <URL> (325)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/06102009132D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1000    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C6H12O5

>  <MolWeight> (326)
164.15648

>  <Cat> (326)
S4701

>  <Name> (326)
2-Deoxy-D-glucose

>  <Synonyms> (326)
2-deoxyglucose, NSC 15193

>  <Target> (326)
Others

>  <Form> (326)
Free Base

>  <CAS> (326)
154-17-6

>  <URL> (326)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C21H26ClN3OS

>  <MolWeight> (327)
403.96864

>  <Cat> (327)
S4731

>  <Name> (327)
Perphenazine

>  <Synonyms> (327)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (327)
Dopamine Receptor

>  <Form> (327)
Free Base

>  <CAS> (327)
58-39-9

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

$$$$
S4736 Trapidil.cdx
csChFnd80/06102009132D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    4.2000    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
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  1  2  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C10H15N5

>  <MolWeight> (328)
205.2596

>  <Cat> (328)
S4736

>  <Name> (328)
Trapidil

>  <Synonyms> (328)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (328)
PDGFR

>  <Form> (328)
Free Base

>  <CAS> (328)
15421-84-8

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

$$$$
S4743 Wogonin.cdx
csChFnd80/06102009132D

 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
    2.4175    6.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2204    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    0.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4841    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6957    2.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6965    0.7008    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  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
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 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C16H12O5

>  <MolWeight> (329)
284.26348

>  <Cat> (329)
S4743

>  <Name> (329)
Wogonin

>  <Synonyms> (329)
Vogonin

>  <Target> (329)
CDK

>  <Form> (329)
Free Base

>  <CAS> (329)
632-85-9

>  <URL> (329)
http://www.selleckchem.com/products/wogonin.html

$$$$
NS-187.cdx
csChFnd80/06102009132D

 42 46  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C30H31F3N8O

>  <MolWeight> (330)
576.6153496

>  <Cat> (330)
S1369

>  <Name> (330)
Bafetinib (INNO-406)

>  <Synonyms> (330)
NS-187

>  <Target> (330)
Abl,Lyn

>  <Form> (330)
Free Base

>  <CAS> (330)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/06102009132D

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 21 46  1  0  0  0  0
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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C37H42Cl2N2O6

>  <MolWeight> (331)
681.64518

>  <Cat> (331)
S3609

>  <Name> (331)
Berbamine (dihydrochloride)

>  <Synonyms> (331)
N/A

>  <Target> (331)
NF-¦ÊB,bcr/abl

>  <Form> (331)
dihydrochloride

>  <CAS> (331)
6078-17-7

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/06102009132D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C18H16O8

>  <MolWeight> (332)
360.31484

>  <Cat> (332)
S3612

>  <Name> (332)
Rosmarinic acid

>  <Synonyms> (332)
Rosemary acid

>  <Target> (332)
IKK ¦Â

>  <Form> (332)
free base

>  <CAS> (332)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/06102009132D

 45 51  0  0  0  0  0  0  0  0999 V2000
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   10.3874    6.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 35  1  0  0  0  0
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M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C37H40N2O6

>  <MolWeight> (333)
608.7233

>  <Cat> (333)
S3606

>  <Name> (333)
Fangchinoline

>  <Synonyms> (333)
N/A

>  <Target> (333)
HIV-1

>  <Form> (333)
free base

>  <CAS> (333)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/06102009132D

  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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C4H7NO2

>  <MolWeight> (334)
101.10388

>  <Cat> (334)
S3699

>  <Name> (334)
2,3-Butanedione-2-monoxime

>  <Synonyms> (334)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (334)
skeletal muscle myosin-II

>  <Form> (334)
free base

>  <CAS> (334)
57-71-6

>  <URL> (334)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/06102009132D

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   10.6611   16.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C48H78O19

>  <MolWeight> (335)
959.12152

>  <Cat> (335)
S3616

>  <Name> (335)
Asiaticoside

>  <Synonyms> (335)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (335)
Others

>  <Form> (335)
free base

>  <CAS> (335)
16830-15-2

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

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7509    2.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0184    2.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8868    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    6.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3705    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    4.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    4.6475    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C15H18O2

>  <MolWeight> (336)
230.30222

>  <Cat> (336)
S3615

>  <Name> (336)
Dehydrocostus Lactone

>  <Synonyms> (336)
N/A

>  <Target> (336)
 IKK¦Â

>  <Form> (336)
free base

>  <CAS> (336)
477-43-0

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/06102009132D

 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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C11H8O3

>  <MolWeight> (337)
188.17942

>  <Cat> (337)
S3661

>  <Name> (337)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (337)
N/A

>  <Target> (337)
PKC

>  <Form> (337)
free base

>  <CAS> (337)
2348-82-5

>  <URL> (337)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2876    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0814    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4987    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    2.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0820    4.2126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7418    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8704    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7423    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9518    0.0044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4160    2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1578    2.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9513    4.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    2.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065    4.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C16H14N2O4

>  <MolWeight> (338)
298.29336

>  <Cat> (338)
S3648

>  <Name> (338)
Amlexanox

>  <Synonyms> (338)
AA-673, CHX-3673

>  <Target> (338)
TBK1,IKK-¦Å

>  <Form> (338)
free base

>  <CAS> (338)
68302-57-8

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

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/06102009132D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (339)
340

>  <Formula> (339)
C13H13ClN2O

>  <MolWeight> (339)
248.70812

>  <Cat> (339)
S3817

>  <Name> (339)
Harmine hydrochloride

>  <Synonyms> (339)
telepathine hydrochloride

>  <Target> (339)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (339)
hydrochloride

>  <CAS> (339)
343-27-1

>  <URL> (339)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/06102009132D

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    6.9967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    8.3967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7070    9.0935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2821    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138    6.9902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9175    8.3902    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7107   10.4935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
 12  6  1  1  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 14 19  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  6  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 21 28  1  0  0  0  0
 21 22  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  6  0  0  0
 26 31  1  6  0  0  0
 26 29  1  0  0  0  0
 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (340)
341

>  <Formula> (340)
C21H20O11

>  <MolWeight> (340)
448.3769

>  <Cat> (340)
S3824

>  <Name> (340)
Quercitrin

>  <Synonyms> (340)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (340)
Others

>  <Form> (340)
free base

>  <CAS> (340)
522-12-3

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/06102009132D

 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
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (341)
342

>  <Formula> (341)
C17H26O4

>  <MolWeight> (341)
294.38594

>  <Cat> (341)
S3836

>  <Name> (341)
6-Gingerol

>  <Synonyms> (341)
CI-1011

>  <Target> (341)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (341)
free base

>  <CAS> (341)
23513-14-6

>  <URL> (341)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/06102009132D

 12 14  0  0  0  0  0  0  0  0999 V2000
    0.2182    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    1.4028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5609    1.7635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5640    3.1635    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.2213    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8028    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.5026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8915    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    2.4587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9444    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    4.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
M  END
>  <Mol_ID> (342)
343

>  <Formula> (342)
C8H8O4

>  <MolWeight> (342)
168.14672

>  <Cat> (342)
S3759

>  <Name> (342)
Norcantharidin

>  <Synonyms> (342)
Endothall anhydride

>  <Target> (342)
c-Met,EGFR

>  <Form> (342)
free base

>  <CAS> (342)
29745-04-8

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

$$$$
S3784 Obacunone.cdx
csChFnd80/06102009132D

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344

>  <Formula> (343)
C26H30O7

>  <MolWeight> (343)
454.5122

>  <Cat> (343)
S3784

>  <Name> (343)
Obacunone

>  <Synonyms> (343)
N/A

>  <Target> (343)
Nrf2,Aromatase

>  <Form> (343)
free base

>  <CAS> (343)
751-03-1

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

$$$$
S3786 Glabridin.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (344)
345

>  <Formula> (344)
C20H20O4

>  <MolWeight> (344)
324.3704

>  <Cat> (344)
S3786

>  <Name> (344)
Glabridin

>  <Synonyms> (344)
Q-100692, KB-289522, LS-176045

>  <Target> (344)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (344)
free base

>  <CAS> (344)
59870-68-7

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

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/06102009132D

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346

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>  <MolWeight> (345)
947.15388

>  <Cat> (345)
S3811

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Ginsenoside Re

>  <Synonyms> (345)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (345)
Others

>  <Form> (345)
free base

>  <CAS> (345)
52286-59-6

>  <URL> (345)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/06102009132D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (346)
347

>  <Formula> (346)
C10H8O4

>  <MolWeight> (346)
192.16812

>  <Cat> (346)
S3881

>  <Name> (346)
Scopoletin

>  <Synonyms> (346)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (346)
Immunology & Inflammation related

>  <Form> (346)
free base

>  <CAS> (346)
92-61-5

>  <URL> (346)
http://www.selleckchem.com/products/scopoletin.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/06102009132D

 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
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   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
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   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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    2.4161    4.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    9.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   16.1841   15.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  1  0  0  0
  1  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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  5 10  1  0  0  0  0
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  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
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  1  0  0  0
 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
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 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
 46 51  1  0  0  0  0
 46 52  1  0  0  0  0
 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> (347)
348

>  <Formula> (347)
C41H68O14

>  <MolWeight> (347)
784.97022

>  <Cat> (347)
S3901

>  <Name> (347)
Astragaloside IV

>  <Synonyms> (347)
AST-IV, AS-IV

>  <Target> (347)
Others

>  <Form> (347)
free base

>  <CAS> (347)
84687-43-4

>  <URL> (347)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/06102009132D

 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
    1.2155    3.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   10.6277    0.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  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> (348)
349

>  <Formula> (348)
C20H24O11

>  <MolWeight> (348)
440.39796

>  <Cat> (348)
S3781

>  <Name> (348)
Ginkgolide C

>  <Synonyms> (348)
BN-52022

>  <Target> (348)
Others

>  <Form> (348)
free base

>  <CAS> (348)
15291-76-6

>  <URL> (348)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/06102009132D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (349)
350

>  <Formula> (349)
C7H6O4

>  <MolWeight> (349)
154.12014

>  <Cat> (349)
S3799

>  <Name> (349)
Gentisic acid

>  <Synonyms> (349)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (349)
Immunology & Inflammation related

>  <Form> (349)
free base

>  <CAS> (349)
490-79-9

>  <URL> (349)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/06102009132D

 40 44  0  0  0  0  0  0  0  0999 V2000
    8.2797    4.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3422    5.3682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5584    4.8989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5807    3.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    4.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0413    6.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4109    6.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (350)
351

>  <Formula> (350)
C27H34O11

>  <MolWeight> (350)
534.55226

>  <Cat> (350)
S3926

>  <Name> (350)
Forsythin

>  <Synonyms> (350)
Phillyrin

>  <Target> (350)
Others

>  <Form> (350)
free base

>  <CAS> (350)
487-41-2

>  <URL> (350)
http://www.selleckchem.com/products/forsythin.html

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (351)
352

>  <Formula> (351)
C54H92O23

>  <MolWeight> (351)
1109.29448

>  <Cat> (351)
S3924

>  <Name> (351)
Ginsenoside Rb1

>  <Synonyms> (351)
Gypenoside ¢ó

>  <Target> (351)
Others

>  <Form> (351)
free base

>  <CAS> (351)
41753-43-9

>  <URL> (351)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (352)
353

>  <Formula> (352)
C13H12N2O

>  <MolWeight> (352)
212.24718

>  <Cat> (352)
S3868

>  <Name> (352)
Harmine

>  <Synonyms> (352)
telepathine

>  <Target> (352)
PPAR¦Ã,MAO-A

>  <Form> (352)
free base

>  <CAS> (352)
442-51-3

>  <URL> (352)
http://www.selleckchem.com/products/harmine.html

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (353)
354

>  <Formula> (353)
C10H13N5O

>  <MolWeight> (353)
219.24312

>  <Cat> (353)
S4884

>  <Name> (353)
Trans-Zeatin

>  <Synonyms> (353)
(E)-Zeatin

>  <Target> (353)
Others

>  <CAS> (353)
1637-39-4

>  <URL> (353)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (354)
355

>  <Formula> (354)
C47H80O18

>  <MolWeight> (354)
933.1273

>  <Cat> (354)
S3785

>  <Name> (354)
Notoginsenoside R1

>  <Synonyms> (354)
Sanchinoside R1

>  <Target> (354)
Others

>  <Form> (354)
free base

>  <CAS> (354)
80418-24-2

>  <URL> (354)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (355)
356

>  <Formula> (355)
C15H8Br2INO2

>  <MolWeight> (355)
520.94199

>  <Cat> (355)
S2872

>  <Name> (355)
GW5074

>  <Synonyms> (355)
N/A

>  <Target> (355)
Raf

>  <Form> (355)
free base

>  <CAS> (355)
220904-83-6

>  <URL> (355)
http://selleckchem.com/products/gw5074.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/06102009132D

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 31 41  1  0  0  0  0
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 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (356)
357

>  <Formula> (356)
C29H36O15

>  <MolWeight> (356)
624.58714

>  <Cat> (356)
S2323

>  <Name> (356)
Methyl-Hesperidin

>  <Form> (356)
free base

>  <CAS> (356)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06102009132D

 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
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  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
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M  END
>  <Mol_ID> (357)
358

>  <Formula> (357)
C19H19ClN6O4S3

>  <MolWeight> (357)
527.03996

>  <Cat> (357)
S1154

>  <Name> (357)
SNS-314 Mesylate

>  <Synonyms> (357)
N/A

>  <Target> (357)
Aurora Kinase

>  <Form> (357)
Mesylate

>  <CAS> (357)
1146618-41-8

>  <URL> (357)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/06102009132D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
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 14 16  2  0  0  0  0
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 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
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 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (358)
359

>  <Formula> (358)
C21H18O12

>  <MolWeight> (358)
462.36042

>  <Cat> (358)
S3810

>  <Name> (358)
Scutellarin

>  <Synonyms> (358)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (358)
Others

>  <Form> (358)
free base

>  <CAS> (358)
27740-01-8

>  <URL> (358)
http://www.selleckchem.com/products/scutellarin.html

$$$$
untitled.cdx
csChFnd80/06102009132D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 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
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 25  1  0  0  0  0
M  END
>  <Mol_ID> (359)
360

>  <Formula> (359)
C24H25ClFN5O3

>  <MolWeight> (359)
485.9384032

>  <Cat> (359)
S1019

>  <Name> (359)
CI-1033 (Canertinib)

>  <Synonyms> (359)
PD-183805 

>  <Target> (359)
EGFR, HER2

>  <Form> (359)
Free Base

>  <CAS> (359)
267243-28-7

>  <URL> (359)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/06102009132D

 41 45  0  0  0  0  0  0  0  0999 V2000
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Tandutinib (MLN518)

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>  <Target> (360)
Flt

>  <Form> (360)
Free Base

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387867-13-2

>  <URL> (360)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
untitled.cdx
csChFnd80/06102009132D

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Vandetanib (ZD6474)

>  <Synonyms> (361)
N/A

>  <Target> (361)
VEGFR

>  <Form> (361)
Free Base

>  <CAS> (361)
443913-73-3

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

$$$$
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Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (362)
N/A

>  <Target> (362)
Akt

>  <Form> (362)
Free Base

>  <CAS> (362)
58066-85-6

>  <URL> (362)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
NU7026.cdx
csChFnd80/06102009132D

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364

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NU7026

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N/A

>  <Target> (363)
DNA-PK

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Free Base

>  <CAS> (363)
154447-35-5

>  <URL> (363)
http://www.selleckchem.com/products/nu7026.html

$$$$
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1232410-49-9

>  <URL> (365)
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1372540-25-4

>  <URL> (366)
http://www.selleckchem.com/products/gsk2636771.html

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>  <CAS> (367)
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>  <URL> (367)
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1197958-12-5

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1143532-39-1

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http://www.selleckchem.com/products/azd5363.html

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301305-73-7

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$$$$
Sodium Fluorophosphate.cdx
csChFnd80/06102009132D

  7  4  0  0  0  0  0  0  0  0999 V2000
    3.8538    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.8538    2.7966    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  1  0  0  0  0
M  END
>  <Mol_ID> (374)
375

>  <Formula> (374)
FNa2O3P

>  <MolWeight> (374)
143.9499042

>  <Cat> (374)
S4013

>  <Name> (374)
Sodium Monofluorophosphate

>  <Synonyms> (374)
Sodium Fluorophosphate

>  <Target> (374)
Others
phosphatase

>  <Form> (374)
Disodium salt

>  <CAS> (374)
10163-15-2

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

$$$$
IPI-145.cdx
csChFnd80/06102009132D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9326    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  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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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 18 14  1  0  0  0  0
  6 19  1  0  0  0  0
 10 20  2  0  0  0  0
 11 21  1  6  0  0  0
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 29 30  2  0  0  0  0
 30 27  1  0  0  0  0
M  END
>  <Mol_ID> (375)
376

>  <Formula> (375)
C22H17ClN6O

>  <MolWeight> (375)
416.86298

>  <Cat> (375)
S7028

>  <Name> (375)
Duvelisib (IPI-145, INK1197)

>  <Synonyms> (375)
N/A

>  <Target> (375)
PI3K

>  <Form> (375)
Free Base

>  <CAS> (375)
1201438-56-3

>  <URL> (375)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5925    3.2128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8050    3.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    5.2822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1216    5.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240    6.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0795    3.3453    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4474    6.3190    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  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (376)
377

>  <Formula> (376)
C13H13N3OS

>  <MolWeight> (376)
259.32682

>  <Cat> (376)
S8037

>  <Name> (376)
Necrostatin-1

>  <Synonyms> (376)
N/A

>  <Target> (376)
TNF-alpha

>  <Form> (376)
Free Base

>  <CAS> (376)
4311-88-0

>  <URL> (376)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
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  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (377)
378

>  <Formula> (377)
C20H22N4O3

>  <MolWeight> (377)
366.41368

>  <Cat> (377)
S8042

>  <Name> (377)
GW2580

>  <Synonyms> (377)
N/A

>  <Target> (377)
CSF-1R

>  <Form> (377)
Free Base

>  <CAS> (377)
870483-87-7

>  <URL> (377)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/06102009132D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6599    3.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608    4.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0837    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    1.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444    2.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    4.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9342    3.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9365    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1452    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
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 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (378)
379

>  <Formula> (378)
C15H12O5

>  <MolWeight> (378)
272.25278

>  <Cat> (378)
S8036

>  <Name> (378)
Butein

>  <Synonyms> (378)
N/A

>  <Target> (378)
EGFR

>  <Form> (378)
Free Base

>  <CAS> (378)
487-52-5

>  <URL> (378)
https://www.selleckchem.com/products/butein.html

$$$$
GDC-0349.cdx
csChFnd80/06102009132D

 33 37  0  0  0  0  0  0  0  0999 V2000
   11.4141   11.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2016    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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ALK 

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761439-42-3

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 10  5  1  0  0  0  0
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 18 19  1  0  0  0  0
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 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (383)
384

>  <Formula> (383)
C22H24ClN3O4

>  <MolWeight> (383)
429.89666

>  <Cat> (383)
S1023

>  <Name> (383)
Erlotinib(OSI-744)

>  <Synonyms> (383)
(CP358774, NSC 718781) HCl

>  <Target> (383)
EGFR

>  <Form> (383)
Hydrochloride

>  <CAS> (383)
183319-69-9

>  <URL> (383)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/06102009132D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (384)
385

>  <Formula> (384)
C16H15BrClN5O4S

>  <MolWeight> (384)
488.7434

>  <Cat> (384)
S1205

>  <Name> (384)
PIK-75 

>  <Synonyms> (384)
N/A

>  <Target> (384)
PI3K, DNA-PK

>  <Form> (384)
Hydrochloride

>  <CAS> (384)
372196-77-5

>  <URL> (384)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/06102009132D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  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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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (385)
386

>  <Formula> (385)
C25H52NO4P

>  <MolWeight> (385)
461.658441

>  <Cat> (385)
S1037

>  <Name> (385)
Perifosine (KRX-0401)

>  <Synonyms> (385)
NSC639966

>  <Target> (385)
Akt

>  <Form> (385)
Free Base

>  <CAS> (385)
157716-52-4

>  <URL> (385)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Ellagic acid.cdx
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 13  6  2  0  0  0  0
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M  END
>  <Mol_ID> (386)
387

>  <Formula> (386)
C14H6O8

>  <MolWeight> (386)
302.19264

>  <Cat> (386)
S1327

>  <Name> (386)
Ellagic acid

>  <Synonyms> (386)
N/A

>  <Target> (386)
Topoisomerases

>  <Form> (386)
Free Base

>  <CAS> (386)
476-66-4

>  <URL> (386)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (387)
388

>  <Formula> (387)
C18H11N3O2S

>  <MolWeight> (387)
333.36384

>  <Cat> (387)
S1360

>  <Name> (387)
GSK1059615

>  <Synonyms> (387)
N/A

>  <Target> (387)
PI3K, mTOR

>  <Form> (387)
Free Base

>  <CAS> (387)
958852-01-2

>  <URL> (387)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/06102009132D

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LY2228820

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N/A

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p38 MAPK

>  <Form> (388)
Dimesylate

>  <CAS> (388)
862507-23-1

>  <URL> (388)
http://www.selleckchem.com/products/LY2228820.html

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CCT129202

>  <Synonyms> (389)
N/A

>  <Target> (389)
Aurora Kinase

>  <Form> (389)
Free Base

>  <CAS> (389)
942947-93-5

>  <URL> (389)
http://www.selleckchem.com/products/CCT129202.html

$$$$
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>  <Target> (390)
HER2, EGFR

>  <Form> (390)
Free Base

>  <CAS> (390)
698387-09-6

>  <URL> (390)
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Syk

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Sodium Salt

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1025687-58-4

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http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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1197160-78-3

>  <URL> (393)
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404

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Src

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Free Base

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172889-27-9

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https://www.selleckchem.com/products/pp2.html

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405

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PD168393

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N/A

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EGFR

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Free Base

>  <CAS> (404)
194423-15-9

>  <URL> (404)
https://www.selleckchem.com/products/pd168393.html

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406

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C19H24ClN9O

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PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (405)
N/A

>  <Target> (405)
Syk

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Hydrochloride

>  <CAS> (405)
1370261-97-4,1370261-96-3(free base)

>  <URL> (405)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

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N/A

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c-Myc

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Free Base

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403811-55-2

>  <URL> (406)
https://www.selleckchem.com/products/10058-f4.html

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408

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P276-00

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N/A

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CDK

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HCl

>  <CAS> (407)
920113-03-7

>  <URL> (407)
https://www.selleckchem.com/products/p276-00.html

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1032900-25-6

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M  END
>  <Mol_ID> (412)
413

>  <Formula> (412)
C11H17N5O2

>  <MolWeight> (412)
251.28498

>  <Cat> (412)
S7114

>  <Name> (412)
NU6027

>  <Synonyms> (412)
N/A

>  <Target> (412)
CDK

>  <Form> (412)
Free Base

>  <CAS> (412)
220036-08-8

>  <URL> (412)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (413)
414

>  <Formula> (413)
C18H32ClN3O8P2

>  <MolWeight> (413)
515.862502

>  <Cat> (413)
S4157

>  <Name> (413)
Chloroquine Phosphate

>  <Synonyms> (413)
N/A

>  <Target> (413)
Others

>  <Form> (413)
Diphosphate

>  <CAS> (413)
50-63-5

>  <URL> (413)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (414)
415

>  <Formula> (414)
C26H27F4N7O2

>  <MolWeight> (414)
545.5318928

>  <Cat> (414)
S7206

>  <Name> (414)
CNX-2006

>  <Synonyms> (414)
N/A

>  <Target> (414)
EGFR

>  <Form> (414)
Free Base

>  <CAS> (414)
1375465-09-0

>  <URL> (414)
http://www.selleckchem.com/products/cnx-2006.html

$$$$
GZD824.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (415)
416

>  <Formula> (415)
C31H35F3N6O7S2

>  <MolWeight> (415)
724.7708096

>  <Cat> (415)
S7194

>  <Name> (415)
GZD824 Dimesylate 

>  <Synonyms> (415)
N/A

>  <Target> (415)
Bcr-Abl

>  <Form> (415)
Mesylate

>  <CAS> (415)
1421783-64-3

>  <URL> (415)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (420)
421

>  <Formula> (420)
C15H11ClN2OS

>  <MolWeight> (420)
302.77864

>  <Cat> (420)
S7176

>  <Name> (420)
SKI II

>  <Synonyms> (420)
SphK-I2, Sphingosine Kinase Inhibitor 2

>  <Target> (420)
S1P Receptor

>  <Form> (420)
Free Base

>  <CAS> (420)
312636-16-1

>  <URL> (420)
http://www.selleckchem.com/products/ski-ii.html

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (421)
422

>  <Formula> (421)
C17H15BrF2N4O3

>  <MolWeight> (421)
441.2268064

>  <Cat> (421)
S7007

>  <Name> (421)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (421)
N/A

>  <Target> (421)
MEK

>  <Form> (421)
Free Base

>  <CAS> (421)
606143-89-9

>  <URL> (421)
http://www.selleckchem.com/products/mek162.html

$$$$
GSK2334470.cdx
csChFnd80/06102009132D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 33 28  1  0  0  0  0
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M  END
>  <Mol_ID> (422)
423

>  <Formula> (422)
C25H34N8O

>  <MolWeight> (422)
462.59046

>  <Cat> (422)
S7087

>  <Name> (422)
GSK2334470

>  <Synonyms> (422)
N/A

>  <Target> (422)
PDK-1

>  <Form> (422)
Free Base

>  <CAS> (422)
1227911-45-6

>  <URL> (422)
http://www.selleckchem.com/products/gsk2334470.html

$$$$
TIC10.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (423)
424

>  <Formula> (423)
C24H26N4O

>  <MolWeight> (423)
386.48944

>  <Cat> (423)
S7127

>  <Name> (423)
TIC10 analogue

>  <Synonyms> (423)
TRAIL-inducing Compound 10

>  <Target> (423)
Akt

>  <Form> (423)
Free Base

>  <CAS> (423)
41276-02-2

>  <URL> (423)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
425

>  <Formula> (424)
C16H10BrN3O2

>  <MolWeight> (424)
356.1735

>  <Cat> (424)
S7198

>  <Name> (424)
BIO

>  <Synonyms> (424)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (424)
GSK-3

>  <Form> (424)
Free Base

>  <CAS> (424)
667463-62-9

>  <URL> (424)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (425)
426

>  <Formula> (425)
C17H13N5

>  <MolWeight> (425)
287.31862

>  <Cat> (425)
S7223

>  <Name> (425)
RepSox

>  <Synonyms> (425)
E-616452, SJN 2511

>  <Target> (425)
TGF-beta/Smad

>  <Form> (425)
Free Base

>  <CAS> (425)
446859-33-2

>  <URL> (425)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (426)
427

>  <Formula> (426)
C21H23N7O3S

>  <MolWeight> (426)
453.51742

>  <Cat> (426)
S7253

>  <Name> (426)
AZD2858

>  <Synonyms> (426)
N/A

>  <Target> (426)
GSK-3

>  <Form> (426)
Free Base

>  <CAS> (426)
486424-20-8

>  <URL> (426)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/06102009132D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (427)
428

>  <Formula> (427)
C23H26ClNO

>  <MolWeight> (427)
367.91164

>  <Cat> (427)
S8004

>  <Name> (427)
ZM 39923 HCl

>  <Synonyms> (427)
N/A

>  <Target> (427)
JAK

>  <Form> (427)
HCl

>  <CAS> (427)
1021868-92-7

>  <URL> (427)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (428)
429

>  <Formula> (428)
C26H27N5O5S2

>  <MolWeight> (428)
553.65308

>  <Cat> (428)
S7207

>  <Name> (428)
Ro 31-8220 Mesylate

>  <Synonyms> (428)
Bisindolylmaleimide IX Mesylate

>  <Target> (428)
PKC

>  <Form> (428)
Mesylate

>  <CAS> (428)
138489-18-6

>  <URL> (428)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Bardoxolone Methyl.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (429)
430

>  <Formula> (429)
C32H43NO4

>  <MolWeight> (429)
505.68812

>  <Cat> (429)
S8078

>  <Name> (429)
Bardoxolone Methyl

>  <Synonyms> (429)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (429)
I¦ÊB/IKK

>  <Form> (429)
Free Base

>  <CAS> (429)
218600-53-4

>  <URL> (429)
http://www.selleckchem.com/products/bardoxolone-methyl.html

$$$$
CZC24832.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (430)
431

>  <Formula> (430)
C15H17FN6O2S

>  <MolWeight> (430)
364.3978832

>  <Cat> (430)
S7018

>  <Name> (430)
CZC24832

>  <Synonyms> (430)
N/A

>  <Target> (430)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (430)
Free Base

>  <CAS> (430)
1159824-67-5

>  <URL> (430)
http://www.selleckchem.com/products/czc24832.html

$$$$
SRPIN340.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (431)
432

>  <Formula> (431)
C18H18F3N3O

>  <MolWeight> (431)
349.3502296

>  <Cat> (431)
S7270

>  <Name> (431)
SRPIN340

>  <Synonyms> (431)
N/A

>  <Target> (431)
Others

>  <Form> (431)
Free Base

>  <CAS> (431)
218156-96-8

>  <URL> (431)
http://www.selleckchem.com/products/srpin340.html

$$$$
ETP-46464.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (432)
433

>  <Formula> (432)
C30H22N4O2

>  <MolWeight> (432)
470.52128

>  <Cat> (432)
S8050

>  <Name> (432)
ETP-46464

>  <Synonyms> (432)
N/A

>  <Target> (432)
mTOR

>  <Form> (432)
Free Base

>  <CAS> (432)
1345675-02-6

>  <URL> (432)
http://www.selleckchem.com/products/etp-46464.html

$$$$
XL388.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (433)
434

>  <Formula> (433)
C23H22FN3O4S

>  <MolWeight> (433)
455.5018832

>  <Cat> (433)
S7035

>  <Name> (433)
XL388

>  <Synonyms> (433)
N/A

>  <Target> (433)
mTOR

>  <Form> (433)
Free Base

>  <CAS> (433)
1251156-08-7

>  <URL> (433)
http://www.selleckchem.com/products/xl388.html

$$$$
CO-1686(AVL-301).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (434)
435

>  <Formula> (434)
C27H28F3N7O3

>  <MolWeight> (434)
555.5515296

>  <Cat> (434)
S7284

>  <Name> (434)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (434)
CNX-419, AVL-301

>  <Target> (434)
EGFR

>  <Form> (434)
Free Base

>  <CAS> (434)
1374640-70-6

>  <URL> (434)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/06102009132D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (435)
436

>  <Formula> (435)
C24H27Cl2N5O

>  <MolWeight> (435)
472.41008

>  <Cat> (435)
S7306

>  <Name> (435)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (435)
BML-275,Compound C

>  <Target> (435)
AMPK

>  <Form> (435)
Dihydrochloride

>  <CAS> (435)
1219168-18-9

>  <URL> (435)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/06102009132D

 32 36  0  0  0  0  0  0  0  0999 V2000
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (436)
437

>  <Formula> (436)
C25H30N6O

>  <MolWeight> (436)
430.5453

>  <Cat> (436)
S7319

>  <Name> (436)
EHop-016

>  <Synonyms> (436)
N/A

>  <Target> (436)
Rac

>  <Form> (436)
Free Base

>  <CAS> (436)
1380432-32-5

>  <URL> (436)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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446

>  <Formula> (445)
C28H32N4O3

>  <MolWeight> (445)
472.57868

>  <Cat> (445)
S8057

>  <Name> (445)
Pacritinib (SB1518)

>  <Synonyms> (445)
N/A

>  <Target> (445)
JAK

>  <Form> (445)
Free Base

>  <CAS> (445)
937272-79-2

>  <URL> (445)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
Sorafenib.cdx
csChFnd80/06102009132D

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447

>  <Formula> (446)
C21H16ClF3N4O3

>  <MolWeight> (446)
464.8249496

>  <Cat> (446)
S7397

>  <Name> (446)
Sorafenib

>  <Synonyms> (446)
BAY 43-9006

>  <Target> (446)
Raf

>  <Form> (446)
Free Base

>  <CAS> (446)
284461-73-0

>  <URL> (446)
http://www.selleckchem.com/products/sorafenib.html

$$$$
PF-562271.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (447)
448

>  <Formula> (447)
C21H21ClF3N7O3S

>  <MolWeight> (447)
543.9497496

>  <Cat> (447)
S7357

>  <Name> (447)
PF-562271 HCl

>  <Synonyms> (447)
N/A

>  <Target> (447)
FAK

>  <Form> (447)
Hydrochloride

>  <URL> (447)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (448)
449

>  <Formula> (448)
C13H15NO2S

>  <MolWeight> (448)
249.3287

>  <Cat> (448)
S7320

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TG003

>  <Synonyms> (448)
N/A

>  <Target> (448)
CDK

>  <Form> (448)
Free Base

>  <CAS> (448)
300801-52-9

>  <URL> (448)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
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AMPK

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Free Base

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1214265-58-3

>  <URL> (449)
http://www.selleckchem.com/products/wz4003.html

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ID-8.cdx
csChFnd80/06102009132D

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N/A

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DYRK

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Free Base

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147591-46-6

>  <URL> (450)
http://www.selleckchem.com/products/id-8.html

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N/A

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ALK

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Free Base

>  <CAS> (451)
1097917-15-1

>  <URL> (451)
http://www.selleckchem.com/products/asp3026.html

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csChFnd80/06102009132D

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14003-96-4

>  <URL> (452)
http://www.selleckchem.com/products/4u8c.html

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AZ20.cdx
csChFnd80/06102009132D

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>  <Cat> (453)
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Free Base

>  <CAS> (453)
1233339-22-4

>  <URL> (453)
http://www.selleckchem.com/products/az20.html

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463

>  <Formula> (462)
C23H30N8O

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434.5373

>  <Cat> (462)
S7440

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Ribociclib (LEE011)

>  <Synonyms> (462)
N/A

>  <Target> (462)
CDK

>  <Form> (462)
Free Base

>  <CAS> (462)
1211441-98-3

>  <URL> (462)
http://www.selleckchem.com/products/lee011.html

$$$$
LM-3230 NH125.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (463)
464

>  <Formula> (463)
C27H45IN2

>  <MolWeight> (463)
524.56407

>  <Cat> (463)
S7436

>  <Name> (463)
NH125

>  <Synonyms> (463)
N/A

>  <Target> (463)
CaMK

>  <Form> (463)
iodide

>  <CAS> (463)
278603-08-0

>  <URL> (463)
http://www.selleckchem.com/products/nh125.html

$$$$
1164470-53-4.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (464)
465

>  <Formula> (464)
C18H15Cl4N3OS

>  <MolWeight> (464)
463.2082

>  <Cat> (464)
S7437

>  <Name> (464)
Sal003

>  <Synonyms> (464)
N/A

>  <Target> (464)
phosphatase

>  <Form> (464)
Free Base

>  <CAS> (464)
1164470-53-4

>  <URL> (464)
http://www.selleckchem.com/products/sal003.html

$$$$
LDN193189 HCl.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (465)
466

>  <Formula> (465)
C25H23ClN6

>  <MolWeight> (465)
442.94332

>  <Cat> (465)
S7507

>  <Name> (465)
LDN193189 HCl

>  <Synonyms> (465)
N/A

>  <Target> (465)
TGF-beta/Smad

>  <Form> (465)
Hydrochloride

>  <CAS> (465)
1062368-62-0

>  <URL> (465)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
LM-3053 SKLB1002.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (466)
467

>  <Formula> (466)
C13H12N4O2S2

>  <MolWeight> (466)
320.38998

>  <Cat> (466)
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>  <Name> (466)
SKLB1002

>  <Synonyms> (466)
N/A

>  <Target> (466)
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676596-65-9

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328998-25-0

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CDK

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Free Base

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1285702-20-6

>  <URL> (471)
http://www.selleckchem.com/products/ml167.html

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TGF-beta/Smad

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Free Base

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1062368-49-3

>  <URL> (472)
http://www.selleckchem.com/products/ml347.html

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474

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Syk

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Free Base

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1229208-44-9

>  <URL> (473)
http://www.selleckchem.com/products/gs-9973.html

$$$$
DMH1.cdx
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TGF-beta/Smad

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Free Base

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1206711-16-1

>  <URL> (474)
http://www.selleckchem.com/products/dmh1.html

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>  <Formula> (483)
C22H26FN3O2

>  <MolWeight> (483)
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>  <Cat> (483)
S7215

>  <Name> (483)
Losmapimod

>  <Synonyms> (483)
GW856553X, GW856553, GSK-AHAB

>  <Target> (483)
p38 MAPK

>  <Form> (483)
Free Base

>  <CAS> (483)
585543-15-3

>  <URL> (483)
http://www.selleckchem.com/products/losmapimod.html

$$$$
GNE-0877.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (484)
485

>  <Formula> (484)
C14H16F3N7

>  <MolWeight> (484)
339.3189496

>  <Cat> (484)
S7367

>  <Name> (484)
GNE-0877

>  <Synonyms> (484)
N/A

>  <Target> (484)
Others

>  <Form> (484)
Free Base

>  <CAS> (484)
1374828-69-9

>  <URL> (484)
http://www.selleckchem.com/products/gne-0877.html

$$$$
UNC2881.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (485)
486

>  <Formula> (485)
C25H33N7O2

>  <MolWeight> (485)
463.57522

>  <Cat> (485)
S7325

>  <Name> (485)
UNC2881

>  <Synonyms> (485)
N/A

>  <Target> (485)
TAM Receptor

>  <Form> (485)
Free Base

>  <CAS> (485)
1493764-08-1

>  <URL> (485)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/06102009132D

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>  <Mol_ID> (486)
487

>  <Formula> (486)
C27H31NO4S

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>  <Cat> (486)
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PF-543

>  <Synonyms> (486)
N/A

>  <Target> (486)
S1P Receptor

>  <Form> (486)
Free Base

>  <CAS> (486)
1415562-82-1

>  <URL> (486)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (487)
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>  <Formula> (487)
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>  <MolWeight> (487)
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>  <Cat> (487)
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>  <Name> (487)
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>  <Target> (487)
Pim

>  <Form> (487)
Free Base

>  <CAS> (487)
1204144-28-4

>  <URL> (487)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (488)
489

>  <Formula> (488)
C26H25Cl2N3O3

>  <MolWeight> (488)
498.401

>  <Cat> (488)
S7041

>  <Name> (488)
CX-6258 HCl

>  <Synonyms> (488)
N/A

>  <Target> (488)
Pim

>  <Form> (488)
Hydrochloride

>  <CAS> (488)
1353859-00-3

>  <URL> (488)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/06102009132D

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   22.9815    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (489)
490

>  <Formula> (489)
C25H29Cl2F3N2O4S

>  <MolWeight> (489)
581.4749696

>  <Cat> (489)
S7482

>  <Name> (489)
EHT 1864 2HCl

>  <Synonyms> (489)
N/A

>  <Target> (489)
Rho

>  <Form> (489)
Dihydrochloride

>  <CAS> (489)
754240-09-0

>  <URL> (489)
http://www.selleckchem.com/products/eht-1864.html

$$$$
EMD 1214063.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (490)
491

>  <Formula> (490)
C29H28N6O2

>  <MolWeight> (490)
492.57162

>  <Cat> (490)
S7067

>  <Name> (490)
Tepotinib (EMD 1214063)

>  <Synonyms> (490)
N/A

>  <Target> (490)
c-Met

>  <Form> (490)
Free Base

>  <CAS> (490)
1100598-32-0

>  <URL> (490)
http://www.selleckchem.com/products/emd-1214063.html

$$$$
LDC000067.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (491)
492

>  <Formula> (491)
C18H18N4O3S

>  <MolWeight> (491)
370.42552

>  <Cat> (491)
S7461

>  <Name> (491)
LDC000067

>  <Synonyms> (491)
LDC067

>  <Target> (491)
CDK

>  <Form> (491)
Free Base

>  <CAS> (491)
1073485-20-7

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N/A

>  <Target> (496)
ERK

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Free Base

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865362-74-9

>  <URL> (496)
http://www.selleckchem.com/products/fr180204.html

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N/A

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Others

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Free Base

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1351761-44-8

>  <URL> (497)
http://www.selleckchem.com/products/gne-7915.html

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Bcr-Abl

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>  <CAS> (498)
260415-63-2

>  <URL> (498)
http://www.selleckchem.com/products/pd173955.html

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500

>  <Formula> (499)
C52H79N5O12

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>  <Name> (499)
Zotarolimus (ABT-578)

>  <Synonyms> (499)
N/A

>  <Target> (499)
mTOR

>  <Form> (499)
Free Base

>  <CAS> (499)
221877-54-9

>  <URL> (499)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
Go6976.cdx
csChFnd80/06102009132D

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501

>  <Formula> (500)
C24H18N4O

>  <MolWeight> (500)
378.42592

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S7119

>  <Name> (500)
Go6976

>  <Synonyms> (500)
N/A

>  <Target> (500)
PKC

>  <Form> (500)
Free Base

>  <CAS> (500)
136194-77-9

>  <URL> (500)
http://www.selleckchem.com/products/go6976.html

$$$$
WH-4-023.cdx
csChFnd80/06102009132D

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502

>  <Formula> (501)
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>  <Cat> (501)
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Src

>  <Form> (501)
Free Base

>  <CAS> (501)
837422-57-8

>  <URL> (501)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (502)
503

>  <Formula> (502)
C19H17NO3

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>  <Cat> (502)
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>  <Name> (502)
SF1670 (PTEN inhibitor)

>  <Synonyms> (502)
N/A

>  <Target> (502)
PTEN

>  <Form> (502)
Free Base

>  <CAS> (502)
345630-40-2

>  <URL> (502)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/06102009132D

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504

>  <Formula> (503)
C22H20FN3O2

>  <MolWeight> (503)
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>  <Target> (503)
GSK-3

>  <Form> (503)
Free Base

>  <CAS> (503)
1129669-05-1

>  <URL> (503)
http://www.selleckchem.com/products/im-12.html

$$$$
NMS-P937.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (504)
505

>  <Formula> (504)
C24H27F3N8O3

>  <MolWeight> (504)
532.5181896

>  <Cat> (504)
S7255

>  <Name> (504)
NMS-P937 (NMS1286937)

>  <Synonyms> (504)
N/A

>  <Target> (504)
PLK

>  <Form> (504)
Free Base

>  <CAS> (504)
1034616-18-6

>  <URL> (504)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
GNE-9605.cdx
csChFnd80/06102009132D

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506

>  <Formula> (505)
C17H20ClF4N7O

>  <MolWeight> (505)
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>  <Cat> (505)
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GNE-9605

>  <Synonyms> (505)
N/A

>  <Target> (505)
LRRK2

>  <Form> (505)
Free Base

>  <CAS> (505)
1536200-31-3

>  <URL> (505)
http://www.selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (506)
507

>  <Formula> (506)
C21H23N5O3S

>  <MolWeight> (506)
425.50402

>  <Cat> (506)
S7605

>  <Name> (506)
Filgotinib£¨GLPG0643)

>  <Synonyms> (506)
N/A

>  <Target> (506)
JAK

>  <Form> (506)
Free Base

>  <CAS> (506)
1206161-97-8

>  <URL> (506)
http://www.selleckchem.com/products/filgotinib.html

$$$$
Anacardic Acid.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (507)
508

>  <Formula> (507)
C22H36O3

>  <MolWeight> (507)
348.51944

>  <Cat> (507)
S7582

>  <Name> (507)
Anacardic Acid

>  <Synonyms> (507)
6-pentadecylsalicylic Acid

>  <Target> (507)
Histone Acetyltransferase

>  <Form> (507)
Free Base

>  <CAS> (507)
16611-84-0

>  <URL> (507)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (508)
509

>  <Formula> (508)
C28H21F4N5O2

>  <MolWeight> (508)
535.4922528

>  <Cat> (508)
S7519

>  <Name> (508)
GNF-5837

>  <Synonyms> (508)
N/A

>  <Target> (508)
Trk receptor

>  <Form> (508)
Free Base

>  <CAS> (508)
1033769-28-6

>  <URL> (508)
http://www.selleckchem.com/products/gnf-5837.html

$$$$
LY2874455.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (509)
510

>  <Formula> (509)
C21H19Cl2N5O2

>  <MolWeight> (509)
444.31386

>  <Cat> (509)
S7057

>  <Name> (509)
LY2874455

>  <Synonyms> (509)
N/A

>  <Target> (509)
FGFR

>  <Form> (509)
Free Base

>  <CAS> (509)
1254473-64-7

>  <URL> (509)
http://www.selleckchem.com/products/ly2874455.html

$$$$
URMC-099.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (510)
511

>  <Formula> (510)
C27H27N5

>  <MolWeight> (510)
421.53678

>  <Cat> (510)
S7343

>  <Name> (510)
URMC-099

>  <Synonyms> (510)
N/A

>  <Target> (510)
Others

>  <Form> (510)
Free Base

>  <CAS> (510)
1229582-33-5

>  <URL> (510)
http://www.selleckchem.com/products/urmc-099.html

$$$$
GSK650394.cdx
csChFnd80/06102009132D

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516

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C25H24N4O2

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Bisindolylmaleimide I (GF109203X)

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GO 6850

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PKC

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133052-90-1

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http://www.selleckchem.com/products/gf109203x.html

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csChFnd80/06102009132D

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517

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C27H35F2N7O3

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S7248

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Ro3280

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Ro5203280

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PLK

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Free Base

>  <CAS> (516)
1062243-51-9

>  <URL> (516)
http://www.selleckchem.com/products/ro3280.html

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csChFnd80/06102009132D

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>  <Mol_ID> (517)
518

>  <Formula> (517)
C13H15NO2S

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I¦ÊB/IKK

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Free Base

>  <CAS> (517)
196309-76-9

>  <URL> (517)
http://www.selleckchem.com/products/bay-11-7085.html

$$$$
JNK Inhibitor IX.cdx
csChFnd80/06102009132D

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519

>  <Formula> (518)
C20H16N2OS

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332.41884

>  <Cat> (518)
S7508

>  <Name> (518)
JNK inhibitor IX

>  <Synonyms> (518)
TCS JNK 5a

>  <Target> (518)
JNK

>  <Form> (518)
Free Base

>  <CAS> (518)
312917-14-9

>  <URL> (518)
http://www.selleckchem.com/products/jnk-inhibitor-ix.html

$$$$
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csChFnd80/06102009132D

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521937-07-5

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ALK

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Free Base

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1454846-35-5

>  <URL> (521)
http://www.selleckchem.com/products/pf-06463922.html

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AXL1717

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IGF-1R

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Free Base

>  <CAS> (522)
477-47-4

>  <URL> (522)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

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>  <CAS> (523)
656820-32-5

>  <URL> (523)
http://www.selleckchem.com/products/reversine.html

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N/A

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CDK

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Free Base

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377090-84-1

>  <URL> (524)
http://www.selleckchem.com/products/su9516.html

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PPLGM

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ROS,CRM

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Free Base

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20069-09-4

>  <URL> (525)
http://www.selleckchem.com/products/piperlongumine.html

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N/A

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Akt

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Free Base

>  <CAS> (526)
1056901-62-2

>  <URL> (526)
http://www.selleckchem.com/products/at13148.html

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FAK

>  <Form> (527)
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>  <CAS> (527)
717906-29-1

>  <URL> (527)
http://www.selleckchem.com/products/pf-431396.html

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529

>  <Formula> (528)
C25H26F3N5O3

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S7653

>  <Name> (528)
PND-1186 (VS-4718)

>  <Synonyms> (528)
SR-2156

>  <Target> (528)
FAK

>  <Form> (528)
Free Base

>  <CAS> (528)
1061353-68-1

>  <URL> (528)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (529)
530

>  <Formula> (529)
C20H21F3N8O3S

>  <MolWeight> (529)
510.4927496

>  <Cat> (529)
S7654

>  <Name> (529)
Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (529)
VS-6063, PF-04554878

>  <Target> (529)
FAK

>  <Form> (529)
Free Base

>  <CAS> (529)
1073154-85-4

>  <URL> (529)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (530)
531

>  <Formula> (530)
C24H18FN3O2

>  <MolWeight> (530)
399.4170232

>  <Cat> (530)
S7664

>  <Name> (530)
GSK2578215A

>  <Synonyms> (530)
N/A

>  <Target> (530)
LRRK2

>  <Form> (530)
Free Base

>  <CAS> (530)
1285515-21-0

>  <URL> (530)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (531)
532

>  <Formula> (531)
C23H21Cl2FN4O3

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491.3422432

>  <Cat> (531)
S7358

>  <Name> (531)
Poziotinib (HM781-36B)

>  <Synonyms> (531)
NOV120101

>  <Target> (531)
EGFR

>  <Form> (531)
Free Base

>  <CAS> (531)
1092364-38-9

>  <URL> (531)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
LY2584702.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (532)
533

>  <Formula> (532)
C21H19F4N7

>  <MolWeight> (532)
445.4160728

>  <Cat> (532)
S7698

>  <Name> (532)
LY2584702

>  <Synonyms> (532)
N/A

>  <Target> (532)
S6 Kinase

>  <Form> (532)
Free Base

>  <CAS> (532)
1082949-67-4

>  <URL> (532)
http://www.selleckchem.com/products/ly2584702.html

$$$$
PI-3065.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (533)
534

>  <Formula> (533)
C27H31FN6OS

>  <MolWeight> (533)
506.6380432

>  <Cat> (533)
S7623

>  <Name> (533)
PI-3065

>  <Synonyms> (533)
N/A

>  <Target> (533)
PI3K

>  <Form> (533)
Free Base

>  <CAS> (533)
955977-50-1

>  <URL> (533)
http://www.selleckchem.com/products/pi-3065.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (534)
535

>  <Formula> (534)
C24H28Cl2N2O4

>  <MolWeight> (534)
479.39612

>  <Cat> (534)
S7720

>  <Name> (534)
SBE 13 HCl

>  <Synonyms> (534)
N/A

>  <Target> (534)
PLK

>  <Form> (534)
Hydrochloride

>  <CAS> (534)
1052532-15-6

>  <URL> (534)
http://www.selleckchem.com/products/sbe-13-hcl.html

$$$$
Bikinin.cdx
csChFnd80/06102009132D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (535)
536

>  <Formula> (535)
C9H9BrN2O3

>  <MolWeight> (535)
273.08336

>  <Cat> (535)
S7722

>  <Name> (535)
Bikinin

>  <Synonyms> (535)
N/A

>  <Target> (535)
GSK-3

>  <Form> (535)
Free Base

>  <CAS> (535)
188011-69-0

>  <URL> (535)
http://www.selleckchem.com/products/bikinin.html

$$$$
SD208.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (536)
537

>  <Formula> (536)
C17H10ClFN6

>  <MolWeight> (536)
352.7529032

>  <Cat> (536)
S7624

>  <Name> (536)
SD-208

>  <Synonyms> (536)
N/A

>  <Target> (536)
TGF-beta/Smad

>  <Form> (536)
Free Base

>  <CAS> (536)
627536-09-8

>  <URL> (536)
http://www.selleckchem.com/products/sd-208.html

$$$$
LFM-A13.cdx
csChFnd80/06102009132D

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1361030-48-9

>  <URL> (538)
http://www.selleckchem.com/products/ldc1267.html

$$$$
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LY2584702 tosylate

>  <Synonyms> (539)
N/A

>  <Target> (539)
S6 Kinase

>  <Form> (539)
Free Base

>  <CAS> (539)
1082949-68-5

>  <URL> (539)
http://www.selleckchem.com/products/ly2584702-tosylate.html

$$$$
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BTK

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no

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http://www.selleckchem.com/products/rn486.html

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915769-50-5

>  <URL> (541)
http://www.selleckchem.com/products/dovitinib-tki258-lactate.html

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953769-46-5

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http://www.selleckchem.com/products/blz945.html

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603288-22-8

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http://www.selleckchem.com/products/ly2090314.html

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FF284

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FGFR

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Free Base

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1265229-25-1

>  <URL> (544)
http://www.selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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ANA-12

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N/A

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Trk receptor

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Free Base

>  <CAS> (545)
219766-25-3

>  <URL> (545)
http://www.selleckchem.com/products/ana-12.html

$$$$
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547

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S7782

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Dasatinib Monohydrate

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BMS-354825 Monohydrate

>  <Target> (546)
Src

>  <Form> (546)
Monohydrate

>  <CAS> (546)
863127-77-9

>  <URL> (546)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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>  <Mol_ID> (547)
548

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C22H27FN4O2

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>  <Name> (547)
Sunitinib

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SU11248

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PDGFR

>  <Form> (547)
Free Base

>  <CAS> (547)
557795-19-4

>  <URL> (547)
http://www.selleckchem.com/products/sunitinib.html

$$$$
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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
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 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
  2 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
 16 26  1  0  0  0  0
 26 27  3  0  0  0  0
 21 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (548)
549

>  <Formula> (548)
C22H23N3O4

>  <MolWeight> (548)
393.43572

>  <Cat> (548)
S7786

>  <Name> (548)
Erlotinib

>  <Synonyms> (548)
CP358774, NSC 718781

>  <Target> (548)
EGFR

>  <Form> (548)
Free Base

>  <CAS> (548)
183321-74-6

>  <URL> (548)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0593    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1215    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3339    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3339    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1215    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5463    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8469    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    3.5000    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
    7.2717    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4842    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2717    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6966    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  3  0  0  0  0
 15 16  1  0  0  0  0
  1 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  2  0  0  0  0
 21  1  1  0  0  0  0
 18  2  2  0  0  0  0
  2 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
>  <Mol_ID> (549)
550

>  <Formula> (549)
C18H13BrN4O

>  <MolWeight> (549)
381.22602

>  <Cat> (549)
S7557

>  <Name> (549)
CL-387785 (EKI-785)

>  <Synonyms> (549)
N/A

>  <Target> (549)
EGFR

>  <Form> (549)
Free Base

>  <CAS> (549)
194423-06-8

>  <URL> (549)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/06102009132D

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    4.9938    3.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7084    2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084    3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    2.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8518    3.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    3.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1373    4.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7033    0.2612    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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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
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 12 14  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 16  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (550)
551

>  <Formula> (550)
C24H30ClN7O2

>  <MolWeight> (550)
483.9937

>  <Cat> (550)
S1116

>  <Name> (550)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (550)
N/A

>  <Target> (550)
CDK

>  <Form> (550)
Hydrochloride

>  <CAS> (550)
827022-32-2, 571190-30-2 (free base)

>  <URL> (550)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/06102009132D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    4.2133    3.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4247    5.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7157    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4545    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8784    0.8704    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4674    1.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2895    0.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
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 13 19  1  0  0  0  0
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 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
  9 11  2  0  0  0  0
 13 18  2  0  0  0  0
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 32 33  1  0  0  0  0
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 36 37  1  0  0  0  0
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 37 39  2  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (551)
552

>  <Formula> (551)
C26H35N7O6S

>  <MolWeight> (551)
573.6644

>  <Cat> (551)
S1579

>  <Name> (551)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (551)
N/A

>  <Target> (551)
CDK

>  <Form> (551)
Isethionate

>  <CAS> (551)
827022-33-3, 571190-30-2(free base)

>  <URL> (551)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.7565    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8554    2.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1544    3.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8533    4.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6554    2.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 14 15  2  0  0  0  0
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 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  2  0  0  0  0
M  END
>  <Mol_ID> (552)
553

>  <Formula> (552)
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Others

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Free Base

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307543-71-1

>  <URL> (552)
http://www.selleckchem.com/products/stf-083010.html

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554

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C29H28ClN7OS

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FRAX597

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N/A

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PAK

>  <Form> (553)
Free Base

>  <CAS> (553)
1286739-19-2

>  <URL> (553)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/06102009132D

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C18H13N3OS2

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351.44532

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S7747

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Ro-3306

>  <Synonyms> (554)
N/A

>  <Target> (554)
CDK

>  <Form> (554)
Free Base

>  <CAS> (554)
872573-93-8

>  <URL> (554)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/06102009132D

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556

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EGFR

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850140-73-7

>  <URL> (555)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
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N/A

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I¦ÊB/IKK

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Trihydrochloride

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946518-60-1

>  <URL> (556)
http://www.selleckchem.com/products/ly2409881.html

$$$$
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N/A

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Akt

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Free Base

>  <CAS> (557)
1047644-62-1

>  <URL> (557)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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559

>  <Formula> (558)
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PI3K

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Free Base

>  <CAS> (558)
1394076-92-6

>  <URL> (558)
http://www.selleckchem.com/products/gne-317.html

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LDN-214117.cdx
csChFnd80/06102009132D

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>  <Synonyms> (559)
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Free Base

>  <CAS> (559)
1627503-67-6

>  <URL> (559)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
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Purvalanol A

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N/A

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CDK

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Free Base

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212844-53-6

>  <URL> (560)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
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>  <Target> (561)
PDGFR

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Free Base

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883986-34-3

>  <URL> (561)
http://www.selleckchem.com/products/azd2932.html

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Anisomycin.cdx
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Flagecidin 

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JNK

>  <Form> (562)
Free Base

>  <CAS> (562)
22862-76-6

>  <URL> (562)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/06102009132D

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564

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C17H21N7O4

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MHY1485

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N/A

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mTOR

>  <Form> (563)
Free Base

>  <CAS> (563)
326914-06-1

>  <URL> (563)
http://www.selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (568)
569

>  <Formula> (568)
C16H18Cl3N5O2

>  <MolWeight> (568)
418.70542

>  <Cat> (568)
S7808

>  <Name> (568)
AT7519 HCl

>  <Synonyms> (568)
N/A

>  <Target> (568)
CDK

>  <Form> (568)
Hydrochloride

>  <CAS> (568)
902135-91-5

>  <URL> (568)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (569)
570

>  <Formula> (569)
C31H33FN6O3

>  <MolWeight> (569)
556.6305232

>  <Cat> (569)
S7799

>  <Name> (569)
Pexmetinib (ARRY-614)

>  <Synonyms> (569)
N/A

>  <Target> (569)
p38 MAPK

>  <Form> (569)
Free Base

>  <CAS> (569)
945614-12-0

>  <URL> (569)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (570)
571

>  <Formula> (570)
C23H29FN6O

>  <MolWeight> (570)
424.5143632

>  <Cat> (570)
S7842

>  <Name> (570)
LY3009120

>  <Synonyms> (570)
N/A

>  <Target> (570)
Raf

>  <Form> (570)
Free Base

>  <CAS> (570)
1454682-72-4

>  <URL> (570)
http://www.selleckchem.com/products/ly3009120.html

$$$$
HTH-01-015.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (571)
572

>  <Formula> (571)
C26H28N8O

>  <MolWeight> (571)
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>  <Cat> (571)
S7318

>  <Name> (571)
HTH-01-015

>  <Synonyms> (571)
N/A

>  <Target> (571)
AMPK

>  <Form> (571)
Free Base

>  <CAS> (571)
1613724-42-7

>  <URL> (571)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (572)
573

>  <Formula> (572)
C20H15ClF3N5

>  <MolWeight> (572)
417.8148096

>  <Cat> (572)
S7818

>  <Name> (572)
Pexidartinib (PLX3397)

>  <Synonyms> (572)
N/A

>  <Target> (572)
CSF-1R

>  <Form> (572)
Free Base

>  <CAS> (572)
1029044-16-3

>  <URL> (572)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (573)
574

>  <Formula> (573)
C21H21F3IN3O2

>  <MolWeight> (573)
531.3100196

>  <Cat> (573)
S8041

>  <Name> (573)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (573)
XL518

>  <Target> (573)
MEK

>  <Form> (573)
Free Base

>  <CAS> (573)
934660-93-2

>  <URL> (573)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/06102009132D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (574)
575

>  <Formula> (574)
C21H22Cl2N4O2

>  <MolWeight> (574)
433.33098

>  <Cat> (574)
S7854

>  <Name> (574)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (574)
N/A

>  <Target> (574)
ERK

>  <Form> (574)
Free Base

>  <CAS> (574)
869886-67-9

>  <URL> (574)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/06102009132D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (575)
576

>  <Formula> (575)
C24H25N5O

>  <MolWeight> (575)
399.4882

>  <Cat> (575)
S7840

>  <Name> (575)
Dorsomorphin (Compound C)

>  <Synonyms> (575)
Compound C, BML-275

>  <Target> (575)
AMPK

>  <Form> (575)
Free Base

>  <CAS> (575)
866405-64-3

>  <URL> (575)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
SC79.cdx
csChFnd80/06102009132D

 25 26  0  0  0  0  0  0  0  0999 V2000
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KN-93 Phosphate

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>  <Target> (581)
CaMK

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1188890-41-6

>  <URL> (581)
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$$$$
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MEK

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1168091-68-6

>  <URL> (582)
http://www.selleckchem.com/products/gdc-0623.html

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1276553-09-3

>  <URL> (583)
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S7259

>  <Name> (587)
FLLL32

>  <Synonyms> (587)
N/A

>  <Target> (587)
JAK

>  <Form> (587)
Free Base

>  <CAS> (587)
1226895-15-3

>  <URL> (587)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/06102009132D

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589

>  <Formula> (588)
C26H44NNaO6S

>  <MolWeight> (588)
521.68543

>  <Cat> (588)
S7896

>  <Name> (588)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (588)
N/A

>  <Target> (588)
Antifection

>  <Form> (588)
sodium salt

>  <CAS> (588)
35807-85-3

>  <URL> (588)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (589)
590

>  <Formula> (589)
C24H28N8O2

>  <MolWeight> (589)
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>  <Cat> (589)
S7103

>  <Name> (589)
GDC-0032

>  <Synonyms> (589)
RG7604

>  <Target> (589)
PI3K

>  <Form> (589)
Free Base

>  <CAS> (589)
1282512-48-4

>  <URL> (589)
http://www.selleckchem.com/products/gdc-0032.html

$$$$
ONO-4059.cdx
csChFnd80/06102009132D

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>  <Formula> (590)
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>  <MolWeight> (590)
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>  <Cat> (590)
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>  <Name> (590)
ONO-4059

>  <Synonyms> (590)
ONO-WG-307

>  <Target> (590)
BTK

>  <Form> (590)
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>  <CAS> (590)
1351635-67-0

>  <URL> (590)
http://www.selleckchem.com/products/ono-4059.html

$$$$
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1449685-96-4

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http://www.selleckchem.com/products/ddr1-in-1.html

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VEGFR

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Free Base

>  <CAS> (596)
215543-92-3

>  <URL> (596)
http://www.selleckchem.com/products/su5402.html

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UNC-2025

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N/A

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TAM Receptor

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hydrochloride salt

>  <CAS> (597)
1429881-91-3

>  <URL> (597)
http://www.selleckchem.com/products/unc-2025.html

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>  <Target> (598)
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>  <CAS> (598)
1616632-77-9

>  <URL> (598)
http://www.selleck.cn/products/tic-10.html

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http://www.selleckchem.com/products/del-22379.html

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N/A

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JAK

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Free Base

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944118-01-8

>  <URL> (604)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/06102009132D

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Entrectinib (RXDX-101)

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NMS-E628

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Trk receptor

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Free Base

>  <CAS> (605)
1108743-60-7

>  <URL> (605)
http://www.selleckchem.com/products/entrectinib-rxdx-101.html

$$$$
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Free Base

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946128-88-7

>  <URL> (606)
http://www.selleckchem.com/products/ro5126766-ch5126766.html

$$$$
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ERK

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896720-20-0

>  <URL> (611)
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EGFR

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Free Base

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1626387-80-1

>  <URL> (612)
http://www.selleckchem.com/products/azd3759.html

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PI3K

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Free Base

>  <CAS> (613)
934493-76-2

>  <URL> (613)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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PS-1145.cdx
csChFnd80/06102009132D

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615

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431898-65-6

>  <URL> (614)
http://www.selleckchem.com/products/ps-1145.html

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1627709-94-7

>  <URL> (615)
http://www.selleckchem.com/products/lji308.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/06102009132D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.6000    0.0000 C   0  0  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    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 12  7  1  0  0  0  0
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 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
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 35 30  1  0  0  0  0
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 31 37  1  0  0  0  0
 31 38  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (616)
617

>  <Formula> (616)
C27H21F3N8O

>  <MolWeight> (616)
530.5038496

>  <Cat> (616)
S8134

>  <Name> (616)
Radotinib

>  <Synonyms> (616)
IY-5511

>  <Target> (616)
Bcr-Abl

>  <Form> (616)
Free Base

>  <CAS> (616)
926037-48-1

>  <URL> (616)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/06102009132D

 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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  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <Mol_ID> (617)
618

>  <Formula> (617)
C15H23ClFN3O4S

>  <MolWeight> (617)
395.8772232

>  <Cat> (617)
S7995

>  <Name> (617)
Ripasudil (K-115)

>  <Synonyms> (617)
N/A

>  <Target> (617)
ROCK

>  <Form> (617)
Hydrochloride dihydrate

>  <CAS> (617)
887375-67-9

>  <URL> (617)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/06102009132D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (618)
619

>  <Formula> (618)
C24H26F3N7O2

>  <MolWeight> (618)
501.5041496

>  <Cat> (618)
S8100

>  <Name> (618)
K03861

>  <Synonyms> (618)
N/A

>  <Target> (618)
CDK

>  <Form> (618)
Free Base

>  <CAS> (618)
853299-07-7

>  <URL> (618)
http://www.selleckchem.com/products/k03861.html

$$$$
GNF-7.cdx
csChFnd80/06102009132D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Target> (628)
CDK

>  <Form> (628)
Free Base

>  <CAS> (628)
142273-20-9

>  <URL> (628)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (629)
630

>  <Formula> (629)
C19H27N5O6S

>  <MolWeight> (629)
453.51258

>  <Cat> (629)
S8195

>  <Name> (629)
Oclacitinib maleate

>  <Synonyms> (629)
PF-03394197

>  <Target> (629)
JAK

>  <Form> (629)
Free Base

>  <CAS> (629)
1640292-55-2

>  <URL> (629)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/06102009132D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (630)
631

>  <Formula> (630)
C17H12Cl2F3N7O2S

>  <MolWeight> (630)
506.2890896

>  <Cat> (630)
S7121

>  <Name> (630)
MLN2480

>  <Synonyms> (630)
BIIB-024

>  <Target> (630)
Raf

>  <Form> (630)
Free Base

>  <CAS> (630)
1096708-71-2

>  <URL> (630)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/06102009132D

 35 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (631)
632

>  <Formula> (631)
C26H23N7O2

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465.50652

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S8116

>  <Name> (631)
Acalabrutinib (ACP-196)

>  <Synonyms> (631)
N/A

>  <Target> (631)
BTK

>  <Form> (631)
Free Base

>  <CAS> (631)
1420477-60-6

>  <URL> (631)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
PIK-III.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (632)
633

>  <Formula> (632)
C17H17N7

>  <MolWeight> (632)
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>  <Cat> (632)
S7683

>  <Name> (632)
PIK-III

>  <Synonyms> (632)
VPS34-IN2

>  <Target> (632)
Autophagy

>  <Form> (632)
Free Base

>  <CAS> (632)
1383716-40-2

>  <URL> (632)
http://www.selleckchem.com/products/pik-iii.html

$$$$
PD0166285.cdx
csChFnd80/06102009132D

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638

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C27H25F3N8O2

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Pluripotin (SC1)

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N/A

>  <Target> (637)
ERK

>  <Form> (637)
Free Base

>  <CAS> (637)
839707-37-8

>  <URL> (637)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
PLX7904.cdx
csChFnd80/06102009132D

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639

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>  <Name> (638)
PLX7904

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PB04

>  <Target> (638)
Raf

>  <Form> (638)
Free Base

>  <CAS> (638)
1393465-84-3

>  <URL> (638)
http://www.selleckchem.com/products/plx7904.html

$$$$
MRT68921.cdx
csChFnd80/06102009132D

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xHCl
M  END
>  <Mol_ID> (639)
640

>  <Formula> (639)
C26H36N6O2R

>  <MolWeight> (639)
464.60304

>  <Cat> (639)
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>  <Name> (639)
MRT67307 HCl

>  <Synonyms> (639)
N/A

>  <Target> (639)
I¦ÊB/IKK

>  <Form> (639)
hydrochloride

>  <CAS> (639)
1190378-57-4 (free-base)

>  <URL> (639)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/06102009132D

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XHCl
M  END
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MRT68921 HCl

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>  <Target> (640)
Autophagy

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hydrochloride

>  <CAS> (640)
1190379-70-4 (free base)

>  <URL> (640)
http://www.selleckchem.com/products/mrt68921.html

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>  <Form> (641)
Free Base

>  <CAS> (641)
883065-90-5

>  <URL> (641)
http://www.selleckchem.com/products/bi-78d3.html

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Casein Kinase

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Free Base

>  <CAS> (642)
186611-52-9

>  <URL> (642)
http://www.selleckchem.com/products/ic261.html

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TNF-alpha

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Free Base

>  <CAS> (643)
1622849-58-4

>  <URL> (643)
http://www.selleckchem.com/products/gsk481.html

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1254036-66-2

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c-Met

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Free Base

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1173699-31-4

>  <URL> (645)
http://www.selleckchem.com/products/amg-337.html

$$$$
NQDI-1.cdx
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>  <Mol_ID> (646)
647

>  <Formula> (646)
C19H13NO4

>  <MolWeight> (646)
319.31082

>  <Cat> (646)
S8289

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NQDI-1

>  <Synonyms> (646)
N/A

>  <Target> (646)
Caspase

>  <Form> (646)
Free Base

>  <CAS> (646)
175026-96-7

>  <URL> (646)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/06102009132D

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648

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Kobe0065

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N/A

>  <Target> (647)
Rho

>  <Form> (647)
Free Base

>  <CAS> (647)
436133-68-5

>  <URL> (647)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (648)
649

>  <Formula> (648)
C26H26N6O2S

>  <MolWeight> (648)
486.58864

>  <Cat> (648)
S8294

>  <Name> (648)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (648)
BI 1482694, HM61713, HM71224

>  <Target> (648)
EGFR

>  <Form> (648)
Free Base

>  <CAS> (648)
1353550-13-6

>  <URL> (648)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
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csChFnd80/06102009132D

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    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0137    1.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1190    2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    1.7463    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4444    8.1241    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (649)
650

>  <Formula> (649)
C11H13IN4O4

>  <MolWeight> (649)
392.14979

>  <Cat> (649)
S8314

>  <Name> (649)
5-Iodotubercidin

>  <Synonyms> (649)
NSC 113939, 5-ITu

>  <Target> (649)
Adenosine Receptor

>  <Form> (649)
Free Base

>  <CAS> (649)
24386-93-4

>  <URL> (649)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/06102009132D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4916    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6854    1.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    2.1347    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1058    1.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3525    2.1731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    2.2144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3779    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    2.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8024    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (650)
651

>  <Formula> (650)
C29H50O2

>  <MolWeight> (650)
430.7061

>  <Cat> (650)
S4686

>  <Name> (650)
Vitamin E

>  <Synonyms> (650)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (650)
COX,VEGFR

>  <Form> (650)
Free Base

>  <CAS> (650)
21590

>  <URL> (650)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (651)
652

>  <Formula> (651)
C15H10O4

>  <MolWeight> (651)
254.2375

>  <Cat> (651)
S8319

>  <Name> (651)
7,8-Dihydroxyflavone

>  <Synonyms> (651)
7,8-DHF

>  <Target> (651)
Trk receptor

>  <Form> (651)
Free Base

>  <CAS> (651)
38183-03-8

>  <URL> (651)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
LY3023414.cdx
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    2.8000    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
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    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
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    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  4 11  1  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 15  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  1  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (652)
653

>  <Formula> (652)
C23H26N4O3

>  <MolWeight> (652)
406.47754

>  <Cat> (652)
S8322

>  <Name> (652)
LY3023414

>  <Synonyms> (652)
GTPL8918

>  <Target> (652)
Akt

>  <Form> (652)
Free Base

>  <CAS> (652)
1386874-06-1

>  <URL> (652)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/06102009132D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0995    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (653)
654

>  <Formula> (653)
C24H24FN7O

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445.4920632

>  <Cat> (653)
S8292

>  <Name> (653)
Selonsertib (GS-4997)

>  <Synonyms> (653)
N/A

>  <Target> (653)
Caspase

>  <Form> (653)
Free Base

>  <CAS> (653)
1448428-04-3

>  <URL> (653)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (654)
655

>  <Formula> (654)
C28H29ClN4O3

>  <MolWeight> (654)
505.00786

>  <Cat> (654)
S7663

>  <Name> (654)
LY333531 HCl

>  <Synonyms> (654)
Ruboxistaurin

>  <Target> (654)
PKC

>  <Form> (654)
hydrochloride

>  <CAS> (654)
169939-93-9

>  <URL> (654)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (655)
656

>  <Formula> (655)
C25H23Cl2FN6O

>  <MolWeight> (655)
513.3941232

>  <Cat> (655)
S7807

>  <Name> (655)
FRAX486

>  <Synonyms> (655)
N/A

>  <Target> (655)
PAK

>  <Form> (655)
Free Base

>  <CAS> (655)
1232030-35-1

>  <URL> (655)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (656)
657

>  <Formula> (656)
C12H15N2O11V

>  <MolWeight> (656)
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>  <Cat> (656)
S8174

>  <Name> (656)
VO-Ohpic trihydrate

>  <Synonyms> (656)
N/A

>  <Target> (656)
Others

>  <Form> (656)
trihydrate

>  <CAS> (656)
476310-60-8

>  <URL> (656)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (657)
658

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C19H14FN3O3S

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S8242

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EAI045

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N/A

>  <Target> (657)
EGFR

>  <Form> (657)
Free Base

>  <CAS> (657)
1942114-09-1

>  <URL> (657)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (658)
659

>  <Formula> (658)
C16H16O5

>  <MolWeight> (658)
288.29524

>  <Cat> (658)
S8279

>  <Name> (658)
Shikonin

>  <Synonyms> (658)
N/A

>  <Target> (658)
Others

>  <Form> (658)
Free Base

>  <CAS> (658)
517-89-5

>  <URL> (658)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (659)
660

>  <Formula> (659)
C22H31N9O3

>  <MolWeight> (659)
469.54004

>  <Cat> (659)
S7966

>  <Name> (659)
AZD8835

>  <Synonyms> (659)
N/A

>  <Target> (659)
PI3K

>  <Form> (659)
Free Base

>  <CAS> (659)
1620576-64-8

>  <URL> (659)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/06102009132D

 31 33  0  0  0  0  0  0  0  0999 V2000
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661

>  <Formula> (660)
C18H15N5O6S2

>  <MolWeight> (660)
461.4716

>  <Cat> (660)
S8251

>  <Name> (660)
Necrosulfonamide

>  <Synonyms> (660)
N/A

>  <Target> (660)
Others

>  <Form> (660)
Free Base

>  <CAS> (660)
1360614-48-7

>  <URL> (660)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
BAY-61-3606.cdx
csChFnd80/06102009132D

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662

>  <Formula> (661)
C20H20Cl2N6O3

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>  <Cat> (661)
S7006

>  <Name> (661)
BAY-61-3606

>  <Synonyms> (661)
N/A

>  <Target> (661)
Syk

>  <Form> (661)
dihydrochloride

>  <CAS> (661)
648903-57-5

>  <URL> (661)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
WNK463.cdx
csChFnd80/06102009132D

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N/A

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Others

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Free Base

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2012607-27-9

>  <URL> (662)
http://www.selleckchem.com/products/wnk463.html

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664

>  <Formula> (663)
C21H24F2N6O6S

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>  <Name> (663)
LOXO-101(sulfate)

>  <Synonyms> (663)
N/A

>  <Target> (663)
Trk receptor

>  <Form> (663)
sulfate

>  <CAS> (663)
1223405-08-0

>  <URL> (663)
http://www.selleckchem.com/products/loxo-101.html

$$$$
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665

>  <Formula> (664)
C23H22ClN3O3

>  <MolWeight> (664)
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>  <Cat> (664)
S8355

>  <Name> (664)
APS-2-79 HCl

>  <Synonyms> (664)
N/A

>  <Target> (664)
MEK

>  <Form> (664)
hydrochloride

>  <CAS> (664)
2002381-31-7

>  <URL> (664)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (665)
666

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NSC228155

>  <Synonyms> (665)
N/A

>  <Target> (665)
EGFR

>  <Form> (665)
Free Base

>  <CAS> (665)
113104-25-9

>  <URL> (665)
http://www.selleckchem.com/products/nsc228155.html

$$$$
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>  <Mol_ID> (666)
667

>  <Formula> (666)
C23H28N8O

>  <MolWeight> (666)
432.52142

>  <Cat> (666)
S7144

>  <Name> (666)
BMS-911543

>  <Synonyms> (666)
N/A

>  <Target> (666)
JAK

>  <Form> (666)
Free Base

>  <CAS> (666)
1271022-90-2

>  <URL> (666)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/06102009132D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (667)
668

>  <Formula> (667)
C23H22O6

>  <MolWeight> (667)
394.41718

>  <Cat> (667)
S8132

>  <Name> (667)
Deguelin

>  <Synonyms> (667)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (667)
Akt

>  <Form> (667)
Free Base

>  <CAS> (667)
522-17-8

>  <URL> (667)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (668)
669

>  <Formula> (668)
C22H15F3N4O2

>  <MolWeight> (668)
424.3753096

>  <Cat> (668)
S8189

>  <Name> (668)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (668)
N/A

>  <Target> (668)
VEGFR

>  <Form> (668)
Free Base

>  <CAS> (668)
861875-60-7

>  <URL> (668)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/06102009132D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (669)
670

>  <Formula> (669)
C19H20F2N4O4

>  <MolWeight> (669)
406.3833064

>  <Cat> (669)
S8125

>  <Name> (669)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (669)
N/A

>  <Target> (669)
p38 MAPK

>  <Form> (669)
Free Base

>  <CAS> (669)
449811-01-2

>  <URL> (669)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (670)
671

>  <Formula> (670)
C29H32F3N5O3

>  <MolWeight> (670)
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>  <Cat> (670)
S7833

>  <Name> (670)
OICR-9429

>  <Synonyms> (670)
N/A

>  <Target> (670)
Histone Methyltransferase

>  <Form> (670)
Free Base

>  <CAS> (670)
1801787-56-3

>  <URL> (670)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (671)
672

>  <Formula> (671)
C23H16F3N3O3

>  <MolWeight> (671)
439.3866496

>  <Cat> (671)
S8188

>  <Name> (671)
BFH772

>  <Synonyms> (671)
BFH 772, BFH-772

>  <Target> (671)
VEGFR

>  <Form> (671)
Free Base

>  <CAS> (671)
890128-81-1

>  <URL> (671)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (672)
673

>  <Formula> (672)
C29H31ClN8O5

>  <MolWeight> (672)
607.06004

>  <Cat> (672)
S7687

>  <Name> (672)
GSK269962 HCl

>  <Synonyms> (672)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (672)
ROCK

>  <Form> (672)
hydrochloride

>  <CAS> (672)
850664-21-0(free base)

>  <URL> (672)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (673)
674

>  <Formula> (673)
C16H14BrNO5S

>  <MolWeight> (673)
412.25506

>  <Cat> (673)
S8228

>  <Name> (673)
NT157

>  <Synonyms> (673)
N/A

>  <Target> (673)
IGF-1R

>  <Form> (673)
Free Base

>  <CAS> (673)
1384426-12-3

>  <URL> (673)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/06102009132D

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N/A

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Syk

>  <Form> (674)
Free Base

>  <CAS> (674)
1446790-62-0

>  <URL> (674)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/06102009132D

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>  <Name> (675)
ARRY-380 (ONT-380)

>  <Synonyms> (675)
Tucatinib

>  <Target> (675)
HER2

>  <Form> (675)
Free Base

>  <CAS> (675)
937263-43-9

>  <URL> (675)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/06102009132D

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N/A

>  <Target> (676)
c-Met

>  <Form> (676)
Free Base

>  <CAS> (676)
1206799-15-6

>  <URL> (676)
http://www.selleckchem.com/products/ly2801653-merestinib.html

$$$$
GDC-0084.cdx
csChFnd80/06102009132D

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678

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GDC-0084

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hydrochloride

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110448-33-4

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1228013-15-7

>  <URL> (679)
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mTOR

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1429639-50-8

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http://www.selleckchem.com/products/cz415.html

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   11.7292   11.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5985   13.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  3  8  1  0  0  0  0
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 14  9  1  0  0  0  0
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 19 12  1  0  0  0  0
 16 20  1  0  0  0  0
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 23 17  1  0  0  0  0
 15 24  1  0  0  0  0
 18 25  2  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30  8  1  0  0  0  0
 28 31  1  0  0  0  0
  1 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (682)
683

>  <Formula> (682)
C24H27N7O2

>  <MolWeight> (682)
445.51688

>  <Cat> (682)
S8272

>  <Name> (682)
XMD8-87

>  <Synonyms> (682)
N/A

>  <Target> (682)
ACK

>  <Form> (682)
Free Base

>  <CAS> (682)
1234480-46-6

>  <URL> (682)
http://www.selleckchem.com/products/xmd8-87.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/06102009132D

 33 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4617    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 14 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 11  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (683)
684

>  <Formula> (683)
C25H30N6O2

>  <MolWeight> (683)
446.5447

>  <Cat> (683)
S8401

>  <Name> (683)
JNJ-42756493 (Erdafitinib)

>  <Synonyms> (683)
N/A

>  <Target> (683)
FGFR

>  <Form> (683)
Free Base

>  <CAS> (683)
1346242-81-6

>  <URL> (683)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
Y-39983 HCl.cdx
csChFnd80/06102009132D

 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
    9.6794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1665    2.1000    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  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
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 13  1  0  0  0  0
 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> (684)
685

>  <Formula> (684)
C16H18Cl2N4O

>  <MolWeight> (684)
353.24632

>  <Cat> (684)
S7935

>  <Name> (684)
Y-39983 HCl

>  <Synonyms> (684)
Y-33075 HCl

>  <Target> (684)
ROCK

>  <Form> (684)
dihydrochloride

>  <CAS> (684)
173897-44-4

>  <URL> (684)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/06102009132D

 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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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  1  0  0  0  0
 10  3  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  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 23 18  1  0  0  0  0
 20 24  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> (685)
686

>  <Formula> (685)
C21H20N2O3S

>  <MolWeight> (685)
380.4601

>  <Cat> (685)
S8448

>  <Name> (685)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (685)
N/A

>  <Target> (685)
ROCK

>  <Form> (685)
Free Base

>  <CAS> (685)
557782-81-7

>  <URL> (685)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/06102009132D

 24 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  5  1  0  0  0  0
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 13  6  1  0  0  0  0
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CaMK

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52029-86-4

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http://www.selleckchem.com/products/sto-609.html

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FGFR

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Free Base

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102586-30-1

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http://www.selleckchem.com/products/nsc12.html

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C31H30Cl3N7O2

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THZ1 2HCl

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N/A

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CDK

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dihydrochloride

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1604810-83-4(free base)

>  <URL> (688)
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GSK2269557

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PI3K

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1254036-71-9

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http://www.selleckchem.com/products/gsk2269557.html

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M  END
>  <Mol_ID> (690)
691

>  <Formula> (690)
C22H22N4O4S

>  <MolWeight> (690)
438.49948

>  <Cat> (690)
S8404

>  <Name> (690)
S49076

>  <Synonyms> (690)
N/A

>  <Target> (690)
c-Met  & FGFR

>  <Form> (690)
Free Base

>  <CAS> (690)
1265965-22-7

>  <URL> (690)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (691)
692

>  <Formula> (691)
C20H19FN4O2S

>  <MolWeight> (691)
398.4538632

>  <Cat> (691)
S8261

>  <Name> (691)
GSK583

>  <Synonyms> (691)
N/A

>  <Target> (691)
NF-¦ÊB

>  <Form> (691)
Free Base

>  <CAS> (691)
1346547-00-9

>  <URL> (691)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (692)
693

>  <Formula> (692)
C27H25ClN6

>  <MolWeight> (692)
468.9806

>  <Cat> (692)
S8339

>  <Name> (692)
Miransertib (ARQ 092)HCl

>  <Synonyms> (692)
Miransertib

>  <Target> (692)
Akt

>  <Form> (692)
hydrochloride

>  <CAS> (692)
1313883-00-9

>  <URL> (692)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/06102009132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (693)
694

>  <Formula> (693)
C21H25N7O

>  <MolWeight> (693)
391.4695

>  <Cat> (693)
S8456

>  <Name> (693)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (693)
N/A

>  <Target> (693)
PI3K

>  <Form> (693)
Free Base

>  <CAS> (693)
1383716-46-8

>  <URL> (693)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (694)
695

>  <Formula> (694)
C21H21ClN2O2S

>  <MolWeight> (694)
400.92164

>  <Cat> (694)
S7652

>  <Name> (694)
OTS514 hydrochloride

>  <Synonyms> (694)
N/A

>  <Target> (694)
TOPK

>  <Form> (694)
hydrochloride

>  <CAS> (694)
1338540-63-8(free base)

>  <URL> (694)
http://www.selleckchem.com/products/ots514.html

$$$$
SAR-020106.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (695)
696

>  <Formula> (695)
C19H19ClN6O

>  <MolWeight> (695)
382.84676

>  <Cat> (695)
S7740

>  <Name> (695)
SAR-020106

>  <Synonyms> (695)
N/A

>  <Target> (695)
Chk

>  <Form> (695)
Free Base

>  <CAS> (695)
1184843-57-9

>  <URL> (695)
http://www.selleckchem.com/products/sar-020106.html

$$$$
S8275-eFT-508.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (696)
697

>  <Formula> (696)
C17H20N6O2

>  <MolWeight> (696)
340.3797

>  <Cat> (696)
S8275

>  <Name> (696)
eFT-508 (eFT508)

>  <Synonyms> (696)
N/A

>  <Target> (696)
MNK

>  <Form> (696)
Free Base

>  <CAS> (696)
1849590-01-7

>  <URL> (696)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (697)
698

>  <Formula> (697)
C14H17Cl2N5O4S

>  <MolWeight> (697)
422.28688

>  <Cat> (697)
S8457

>  <Name> (697)
UK-371804 HCl

>  <Synonyms> (697)
UK-371804 HCl

>  <Target> (697)
Serine Protease

>  <Form> (697)
hydrochloride

>  <CAS> (697)
256476-36-5

>  <URL> (697)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (698)
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M  END
>  <Mol_ID> (702)
703

>  <Formula> (702)
C23H28N8O

>  <MolWeight> (702)
432.52142

>  <Cat> (702)
S7992

>  <Name> (702)
LDC4297 (LDC044297)

>  <Synonyms> (702)
N/A

>  <Target> (702)
CDK

>  <Form> (702)
Free Base

>  <CAS> (702)
1453834-21-3

>  <URL> (702)
http://www.selleckchem.com/products/ldc4297-ldc044297.html

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (703)
704

>  <Formula> (703)
C25H23ClN6O3

>  <MolWeight> (703)
490.94152

>  <Cat> (703)
S8166

>  <Name> (703)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (703)
N/A

>  <Target> (703)
BTK

>  <Form> (703)
hydrochloride

>  <CAS> (703)
1439901-97-9

>  <URL> (703)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (704)
705

>  <Formula> (704)
C19H15N3O2

>  <MolWeight> (704)
317.3413

>  <Cat> (704)
S7954

>  <Name> (704)
CP21R7 (CP21)

>  <Synonyms> (704)
N/A

>  <Target> (704)
Wnt/beta-catenin

>  <Form> (704)
Free Base

>  <CAS> (704)
125314-13-8

>  <URL> (704)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/06102009132D

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A   23
xH2O
M  END
>  <Mol_ID> (705)
706

>  <Formula> (705)
C14H18ClN3O3RS

>  <MolWeight> (705)
343.82902

>  <Cat> (705)
S8208

>  <Name> (705)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (705)
N/A

>  <Target> (705)
ROCK

>  <Form> (705)
hydrochloride

>  <CAS> (705)
155558-32-0 (HCl salt)

>  <URL> (705)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
SUN11602.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (706)
707

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>  <Synonyms> (706)
N/A

>  <Target> (706)
FGFR

>  <Form> (706)
Free Base

>  <CAS> (706)
704869-38-5

>  <URL> (706)
http://www.selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (707)
708

>  <Formula> (707)
C31H24F3N5O3

>  <MolWeight> (707)
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>  <Cat> (707)
S8194

>  <Name> (707)
TGR-1202

>  <Synonyms> (707)
Rp-5264

>  <Target> (707)
PI3K

>  <Form> (707)
Free Base

>  <CAS> (707)
1532533-67-7

>  <URL> (707)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (708)
709

>  <Formula> (708)
C26H31ClN6O2

>  <MolWeight> (708)
495.01634

>  <Cat> (708)
S7824

>  <Name> (708)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (708)
N/A

>  <Target> (708)
EGFR

>  <Form> (708)
Free Base

>  <CAS> (708)
1508250-71-2

>  <URL> (708)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (709)
710

>  <Formula> (709)
C23H26Cl2N2O2S

>  <MolWeight> (709)
465.43574

>  <Cat> (709)
S7648

>  <Name> (709)
OTS964

>  <Synonyms> (709)
N/A

>  <Target> (709)
Others

>  <Form> (709)
dihydrochloride

>  <CAS> (709)
1338545-07-5(HCl salt)

>  <URL> (709)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (710)
711

>  <Formula> (710)
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>  <Cat> (710)
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>  <Name> (710)
Tanzisertib(CC-930)

>  <Synonyms> (710)
JNK-930|JNKI-1

>  <Target> (710)
JNK

>  <Form> (710)
hydrochloride

>  <CAS> (710)
899805-25-5 (free base)

>  <URL> (710)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (711)
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>  <Formula> (711)
C20H24N6O3

>  <MolWeight> (711)
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>  <Cat> (711)
S8493

>  <Name> (711)
PD-166866

>  <Synonyms> (711)
N/A

>  <Target> (711)
FGFR

>  <Form> (711)
Free Base

>  <CAS> (711)
192705-79-6

>  <URL> (711)
http://www.selleckchem.com/products/pd-166866.html

$$$$
BLU-554.cdx
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>  <Mol_ID> (712)
713

>  <Formula> (712)
C24H24Cl2N4O4

>  <MolWeight> (712)
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>  <Cat> (712)
S8503

>  <Name> (712)
BLU-554

>  <Synonyms> (712)
N/A

>  <Target> (712)
FGFR

>  <Form> (712)
Free Base

>  <CAS> (712)
1707289-21-1

>  <URL> (712)
http://www.selleckchem.com/products/blu-554.html

$$$$
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>  <Mol_ID> (713)
714

>  <Formula> (713)
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>  <MolWeight> (713)
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>  <Cat> (713)
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>  <Name> (713)
GSK180736A

>  <Synonyms> (713)
N/A

>  <Target> (713)
ROCK

>  <Form> (713)
Free Base

>  <CAS> (713)
817194-38-0

>  <URL> (713)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
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M  END
>  <Mol_ID> (714)
715

>  <Formula> (714)
C20H23ClN6O2

>  <MolWeight> (714)
414.88862

>  <Cat> (714)
S8523

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GSK2256098

>  <Synonyms> (714)
GTPL7939

>  <Target> (714)
FAK

>  <Form> (714)
Free Base

>  <CAS> (714)
1224887-10-8

>  <URL> (714)
http://www.selleckchem.com/products/gsk2256098.html

$$$$
PRT-060318 (PRT318).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (715)
716

>  <Formula> (715)
C18H26Cl2N6O

>  <MolWeight> (715)
413.34464

>  <Cat> (715)
S7738

>  <Name> (715)
PRT-060318 (PRT318)

>  <Synonyms> (715)
PRT318

>  <Target> (715)
Syk

>  <Form> (715)
hydrochloride salt

>  <CAS> (715)
1194961-19-7 (free base)

>  <URL> (715)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

$$$$
CFI-400945.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (716)
717

>  <Formula> (716)
C33H34N4O3

>  <MolWeight> (716)
534.64806

>  <Cat> (716)
S7552

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CFI-400945

>  <Synonyms> (716)
N/A

>  <Target> (716)
PLK

>  <Form> (716)
Free Base

>  <CAS> (716)
1338806-73-7

>  <URL> (716)
http://www.selleckchem.com/products/cfi-400945.html

$$$$
YU238259.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (717)
718

>  <Formula> (717)
C22H22ClN3O4S

>  <MolWeight> (717)
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>  <Cat> (717)
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YU238259

>  <Synonyms> (717)
N/A

>  <Target> (717)
DNA-PK

>  <Form> (717)
Free Base

>  <CAS> (717)
1943733-16-1

>  <URL> (717)
http://www.selleckchem.com/products/yu238259.html

$$$$
CRT0066101.cdx
csChFnd80/06102009132D

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DNA-PK

>  <Form> (719)
free base

>  <CAS> (719)
1879887-96-3

>  <URL> (719)
http://www.selleckchem.com/products/lturm34.html

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free base

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1384071-99-1

>  <URL> (720)
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    6.0622    6.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.7385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (722)
723

>  <Formula> (722)
C19H22N6O3

>  <MolWeight> (722)
382.41638

>  <Cat> (722)
S8157

>  <Name> (722)
GDC-0326

>  <Synonyms> (722)
N/A

>  <Target> (722)
PI3K¦Á,PI3K¦Ä,PI3K¦Ã,PI3K¦Â

>  <Form> (722)
free base

>  <CAS> (722)
1282514-88-8

>  <URL> (722)
http://www.selleckchem.com/products/gdc-0326.html#s_ref

$$$$
Senexin A.cdx
csChFnd80/06102009132D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14 15  1  0  0  0  0
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 11 12  3  0  0  0  0
M  END
>  <Mol_ID> (723)
724

>  <Formula> (723)
C17H14N4

>  <MolWeight> (723)
274.31986

>  <Cat> (723)
S8520

>  <Name> (723)
Senexin A

>  <Synonyms> (723)
N/A

>  <Target> (723)
CDK19,CDK8

>  <Form> (723)
free base

>  <CAS> (723)
1366002-50-7

>  <URL> (723)
http://www.selleckchem.com/products/senexin-a.html

$$$$
MSC2530818.cdx
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 13  1  0  0  0  0
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M  END
>  <Mol_ID> (724)
725

>  <Formula> (724)
C18H17ClN4O

>  <MolWeight> (724)
340.80678

>  <Cat> (724)
S8387

>  <Name> (724)
MSC2530818

>  <Synonyms> (724)
N/A

>  <Target> (724)
CDK8

>  <Form> (724)
free base

>  <CAS> (724)
1883423-59-3

>  <URL> (724)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/06102009132D

 45 50  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  8  9  1  0  0  0  0
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 32 33  1  0  0  0  0
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M  END
>  <Mol_ID> (725)
726

>  <Formula> (725)
C33H29F2N5O4S

>  <MolWeight> (725)
629.6762664

>  <Cat> (725)
S8573

>  <Name> (725)
Sitravatinib (MGCD516)

>  <Synonyms> (725)
MG-516

>  <Target> (725)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (725)
free base

>  <CAS> (725)
1123837-84-2

>  <URL> (725)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
TPX-0005.cdx
csChFnd80/06102009132D

 26 29  0  0  0  0  0  0  0  0999 V2000
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no

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human RIP1

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free base

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>  <URL> (727)
http://www.selleckchem.com/products/gsk2982772.html

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Nanog

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free base

>  <CAS> (728)
1129403-56-0

>  <URL> (728)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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1174428-47-7

>  <URL> (729)
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1693758-51-8

>  <URL> (730)
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Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (731)
hydrochloride 

>  <CAS> (731)
1952251-28-3

>  <URL> (731)
http://www.selleckchem.com/products/tak-659.html

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free base

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1402438-74-7

>  <URL> (732)
http://www.selleckchem.com/products/pf-06273340.html

$$$$
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N/A

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>  <CAS> (733)
1346546-69-7

>  <URL> (733)
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$$$$
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    0.4326    3.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7221    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9345    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9345    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7221    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5096    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0889    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2660    4.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4889    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
  9  2  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 10 19  2  0  0  0  0
 19 20  1  0  0  0  0
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 23 10  1  0  0  0  0
 20 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (734)
735

>  <Formula> (734)
C19H17N5O3

>  <MolWeight> (734)
363.36998

>  <Cat> (734)
S8581

>  <Name> (734)
Serabelisib (INK-1117,MLN-1117,TAK-117)

>  <Synonyms> (734)
N/A

>  <Target> (734)
PI3K¦Á 

>  <Form> (734)
Free base

>  <CAS> (734)
1268454-23-4

>  <URL> (734)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/06102009132D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  2  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (735)
736

>  <Formula> (735)
C2HCl2NaO2

>  <MolWeight> (735)
150.92391

>  <Cat> (735)
S8615

>  <Name> (735)
Sodium dichloroacetate (DCA)

>  <Synonyms> (735)
bichloroacetic acid, BCA

>  <Target> (735)
PDK

>  <Form> (735)
sodium salt

>  <CAS> (735)
2156-56-1

>  <URL> (735)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/06102009132D

 42 46  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0539    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5539    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9329   11.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  8  9  1  0  0  0  0
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  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
  8 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 31  9  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  1  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (736)
737

>  <Formula> (736)
C33H44FN5O3

>  <MolWeight> (736)
577.7325632

>  <Cat> (736)
S8511

>  <Name> (736)
Belizatinib (TSR-011)

>  <Synonyms> (736)
N/A

>  <Target> (736)
ALK,TRK

>  <Form> (736)
free base

>  <CAS> (736)
1357920-84-3

>  <URL> (736)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.3451    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  8 19  1  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (737)
738

>  <Formula> (737)
C14H11ClN6O3

>  <MolWeight> (737)
346.72854

>  <Cat> (737)
S8596

>  <Name> (737)
Autophinib

>  <Synonyms> (737)
N/A

>  <Target> (737)
autophagy

>  <Form> (737)
free base

>  <CAS> (737)
1644443-47-9

>  <URL> (737)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/06102009132D

 38 41  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (738)
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>  <Target> (738)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

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free base

>  <CAS> (738)
1802929-43-6

>  <URL> (738)
http://www.selleckchem.com/products/prn1371.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/06102009132D

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740

>  <Formula> (739)
C29H44N8O3

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>  <Cat> (739)
S7754

>  <Name> (739)
Gilteritinib (ASP2215)

>  <Synonyms> (739)
N/A

>  <Target> (739)
FLT3,Axl 

>  <Form> (739)
free base

>  <CAS> (739)
1254053-43-4

>  <URL> (739)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/06102009132D

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741

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C20H14ClN3O2

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>  <Cat> (740)
S8632

>  <Name> (740)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (740)
N/A

>  <Target> (740)
Chk2

>  <Form> (740)
free base

>  <CAS> (740)
516480-79-8

>  <URL> (740)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/06102009132D

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742

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>  <Name> (741)
LY3214996

>  <Synonyms> (741)
N/A

>  <Target> (741)
ERK1,ERK2

>  <Form> (741)
free base

>  <CAS> (741)
1951483-29-6

>  <URL> (741)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/06102009132D

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N/A

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AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (742)
free base

>  <CAS> (742)
1467057-23-3

>  <URL> (742)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/06102009132D

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744

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>  <Cat> (743)
S8616

>  <Name> (743)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (743)
N/A

>  <Target> (743)
PKM2

>  <Form> (743)
free base

>  <CAS> (743)
94164-88-2

>  <URL> (743)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
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csChFnd80/06102009132D

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745

>  <Formula> (744)
C21H20N2O3S

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380.4601

>  <Cat> (744)
S8286

>  <Name> (744)
MKC-3946

>  <Synonyms> (744)
N/A

>  <Target> (744)
IRE1¦Á endoribonuclease

>  <Form> (744)
free base

>  <CAS> (744)
1093119-54-0

>  <URL> (744)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
FM-381.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (745)
746

>  <Formula> (745)
C24H24N6O2

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FM-381

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N/A

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JAK3

>  <Form> (745)
free base

>  <CAS> (745)
No

>  <URL> (745)
http://www.selleckchem.com/products/fm-381.html

$$$$
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csChFnd80/06102009132D

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CA-4948

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N/A

>  <Target> (746)
IRAK4

>  <Form> (746)
free base

>  <CAS> (746)
1801343-74-7

>  <URL> (746)
http://www.selleckchem.com/products/ca-4948.html

$$$$
S3614 Lupeol.cdx
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M  END
>  <Mol_ID> (747)
748

>  <Formula> (747)
C30H50O

>  <MolWeight> (747)
426.7174

>  <Cat> (747)
S3614

>  <Name> (747)
Lupeol

>  <Synonyms> (747)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (747)
Others

>  <Form> (747)
free base

>  <CAS> (747)
545-47-1

>  <URL> (747)
http://www.selleckchem.com/products/lupeol.html

$$$$
BAY 1895344.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (748)
749

>  <Formula> (748)
C20H22ClN7O

>  <MolWeight> (748)
411.88798

>  <Cat> (748)
S8666

>  <Name> (748)
BAY 1895344

>  <Synonyms> (748)
N/A

>  <Target> (748)
ATR

>  <Form> (748)
hydrochloride

>  <CAS> (748)
1876467-74-1(free base)

>  <URL> (748)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
csChFnd80/06102009132D

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0401    3.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (749)
750

>  <Formula> (749)
C11H16O2

>  <MolWeight> (749)
180.24354

>  <Cat> (749)
S5119

>  <Name> (749)
Olivetol

>  <Synonyms> (749)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (749)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (749)
free base

>  <CAS> (749)
500-66-3

>  <URL> (749)
http://www.selleckchem.com/products/olivetol.html

$$$$
HMPL-504(AZD6094, Volitinib).cdx
csChFnd80/06102009132D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.4240    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> (750)
751

>  <Formula> (750)
C17H15N9

>  <MolWeight> (750)
345.3613

>  <Cat> (750)
S7674

>  <Name> (750)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (750)
Volitinib

>  <Target> (750)
MET

>  <Form> (750)
free base

>  <CAS> (750)
1313725-88-0

>  <URL> (750)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/06102009132D

 21 19  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8865    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (751)
752

>  <Formula> (751)
C14H27NaO5S

>  <MolWeight> (751)
330.41595

>  <Cat> (751)
S3801

>  <Name> (751)
Sodium Houttuyfonate

>  <Synonyms> (751)
N/A

>  <Target> (751)
Antifection

>  <Form> (751)
sodium salt

>  <CAS> (751)
1847-58-1

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

$$$$
S3813 Bakuchiol.cdx
csChFnd80/06102009132D

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  1  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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    9.6993    2.7739    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
   10.9042    2.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (752)
753

>  <Formula> (752)
C18H24O

>  <MolWeight> (752)
256.38256

>  <Cat> (752)
S3813

>  <Name> (752)
Bakuchiol

>  <Synonyms> (752)
(S)-(+)-Bakuchiol

>  <Target> (752)
Immunology & Inflammation related

>  <Form> (752)
free base

>  <CAS> (752)
10309-37-2

>  <URL> (752)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
H3B-6527.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (753)
754

>  <Formula> (753)
C29H34Cl2N8O4

>  <MolWeight> (753)
629.53746

>  <Cat> (753)
S8675

>  <Name> (753)
H3B-6527

>  <Synonyms> (753)
N/A

>  <Target> (753)
FGFR4

>  <Form> (753)
free base

>  <CAS> (753)
1702259-66-2

>  <URL> (753)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (754)
755

>  <Formula> (754)
C18H18N4O2

>  <MolWeight> (754)
322.36112

>  <Cat> (754)
S8663

>  <Name> (754)
Takinib

>  <Synonyms> (754)
EDHS-206

>  <Target> (754)
TAK1,IRAK4,IRAK1

>  <Form> (754)
free base

>  <CAS> (754)
1111556-37-6

>  <URL> (754)
http://www.selleckchem.com/products/takinib.html

$$$$
IPI-3063.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (755)
756

>  <Formula> (755)
C25H25N7O2

>  <MolWeight> (755)
455.5117

>  <Cat> (755)
S7335

>  <Name> (755)
IPI-3063

>  <Synonyms> (755)
N/A

>  <Target> (755)
p110¦Ä

>  <Form> (755)
free base

>  <CAS> (755)
1425043-73-7

>  <URL> (755)
http://www.selleckchem.com/products/ipi-3063.html

$$$$
PF-06651600.cdx
csChFnd80/06102009132D

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    1.2124    2.8000    0.0000 O   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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
 11 10  1  1  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (756)
757

>  <Formula> (756)
C15H19N5O

>  <MolWeight> (756)
285.34426

>  <Cat> (756)
S8538

>  <Name> (756)
PF-06651600

>  <Synonyms> (756)
N/A

>  <Target> (756)
JAK3 

>  <Form> (756)
free base

>  <CAS> (756)
1792180-81-4

>  <URL> (756)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (757)
758

>  <Formula> (757)
C15H10O5

>  <MolWeight> (757)
270.2369

>  <Cat> (757)
S8696

>  <Name> (757)
2-D08
2-D08

>  <Synonyms> (757)
2',3',4'-trihydroxy flavone

>  <Target> (757)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (757)
free base

>  <CAS> (757)
144707-18-6

>  <URL> (757)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/06102009132D

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    3.7704    2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    6.3488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2834    8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1559    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7952    9.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6441    6.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9011    5.3183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4130    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5404    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    4.3188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    2.5039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 31 40  1  0  0  0  0
 20 21  3  0  0  0  0
 36 37  1  0  0  0  0
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M  END
>  <Mol_ID> (758)
759

>  <Formula> (758)
C26H23F4N9O

>  <MolWeight> (758)
553.5141328

>  <Cat> (758)
S7812

>  <Name> (758)
Itacitinib (INCB39110)

>  <Synonyms> (758)
N/A

>  <Target> (758)
JAK

>  <Form> (758)
free base

>  <CAS> (758)
1334298-90-6

>  <URL> (758)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
S5045 Nomilin.cdx
csChFnd80/06102009132D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.1413    4.3026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9215    3.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.7113    4.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9215    2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5763    4.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3566    6.4072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.1413    7.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5765    4.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (759)
760

>  <Formula> (759)
C28H34O9

>  <MolWeight> (759)
514.56416

>  <Cat> (759)
S5045

>  <Name> (759)
Nomilin

>  <Synonyms> (759)
N/A

>  <Target> (759)
Others

>  <Form> (759)
free base

>  <CAS> (759)
1063-77-0

>  <URL> (759)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/06102009132D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (760)
761

>  <Formula> (760)
C21H17ClF4N4O4

>  <MolWeight> (760)
500.8306928

>  <Cat> (760)
S5077

>  <Name> (760)
Regorafenib Monohydrate

>  <Synonyms> (760)
N/A

>  <Target> (760)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (760)
monohydrate

>  <CAS> (760)
1019206-88-2

>  <URL> (760)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
BGB-3111.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (761)
762

>  <Formula> (761)
C24H25N5O3

>  <MolWeight> (761)
431.487

>  <Cat> (761)
S8542

>  <Name> (761)
Btk inhibitor 2

>  <Synonyms> (761)
N/A

>  <Target> (761)
BTK

>  <Form> (761)
free base

>  <CAS> (761)
1558036-85-3

>  <URL> (761)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (762)
763

>  <Formula> (762)
C28H25F3N6O

>  <MolWeight> (762)
518.5329096

>  <Cat> (762)
S8658

>  <Name> (762)
kira6

>  <Synonyms> (762)
N/A

>  <Target> (762)
Others

>  <CAS> (762)
1589527-65-0

>  <URL> (762)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (763)
764

>  <Formula> (763)
C18H15ClN6OS2

>  <MolWeight> (763)
430.9343

>  <Cat> (763)
S8699

>  <Name> (763)
SNS-314 Mesylate

>  <Synonyms> (763)
N/A

>  <Target> (763)
Aurora Kinase

>  <CAS> (763)
1057249-41-8

>  <URL> (763)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/06102009132D

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765

>  <Formula> (764)
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>  <Synonyms> (764)
N/A

>  <Target> (764)
BTK,Trk receptor,c-RET

>  <Form> (764)
free base

>  <CAS> (764)
1231889-53-4

>  <URL> (764)
http://selleckchem.com/products/bms-935177.html

$$$$
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csChFnd80/06102009132D

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766

>  <Formula> (765)
C35H29F3N4O3

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610.6249696

>  <Cat> (765)
S8444

>  <Name> (765)
KPT-9274

>  <Synonyms> (765)
N/A

>  <Target> (765)
NAMPT,PAK

>  <Form> (765)
free base

>  <CAS> (765)
1643913-93-2

>  <URL> (765)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (766)
767

>  <Formula> (766)
C20H18ClF2N5O3

>  <MolWeight> (766)
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>  <Cat> (766)
S8555

>  <Name> (766)
Asciminib (ABL001)

>  <Synonyms> (766)
N/A

>  <Target> (766)
Bcr-Abl

>  <Form> (766)
free base

>  <CAS> (766)
1492952-76-7

>  <URL> (766)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
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csChFnd80/06102009132D

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 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (767)
768

>  <Formula> (767)
C23H18FN5O2

>  <MolWeight> (767)
415.4197232

>  <Cat> (767)
S8672

>  <Name> (767)
Tenalisib (RP6530)

>  <Synonyms> (767)
N/A

>  <Target> (767)
PI3K

>  <Form> (767)
free base

>  <CAS> (767)
1639417-53-0

>  <URL> (767)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (768)
769

>  <Formula> (768)
C28H29F3N4O4

>  <MolWeight> (768)
542.5494696

>  <Cat> (768)
S8690

>  <Name> (768)
RAF709

>  <Synonyms> (768)
N/A

>  <Target> (768)
Raf

>  <Form> (768)
free base

>  <CAS> (768)
1628838-42-5

>  <URL> (768)
http://selleckchem.com/products/raf709.html

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/06102009132D

 37 41  0  0  0  0  0  0  0  0999 V2000
   13.4556    5.2894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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  4 17  2  0  0  0  0
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M  END
>  <Mol_ID> (769)
770

>  <Formula> (769)
C30H35ClN4O2

>  <MolWeight> (769)
519.0775

>  <Cat> (769)
S5232

>  <Name> (769)
Alectinib hydrochloride

>  <Synonyms> (769)
AF802 hydrochloride

>  <Target> (769)
ALK

>  <Form> (769)
hydrochloride 

>  <CAS> (769)
1256589-74-8

>  <URL> (769)
http://selleckchem.com/products/alectinib-hydrochloride.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/06102009132D

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  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
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 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
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M  END
>  <Mol_ID> (770)
771

>  <Formula> (770)
C13H18N2O6

>  <MolWeight> (770)
298.29182

>  <Cat> (770)
S5060

>  <Name> (770)
 Metadoxine

>  <Synonyms> (770)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (770)
Others

>  <Form> (770)
salt

>  <CAS> (770)
74536-44-0

>  <URL> (770)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/06102009132D

 24 25  0  0  0  0  0  0  0  0999 V2000
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 10 15  2  0  0  0  0
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 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (771)
772

>  <Formula> (771)
C10H16N5O8P

>  <MolWeight> (771)
365.236501

>  <Cat> (771)
S5284

>  <Name> (771)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (771)
5'-Adenylic acid, 5'-AMP

>  <Target> (771)
AMPK

>  <Form> (771)
hydrate 

>  <CAS> (771)
18422-05-4

>  <URL> (771)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/06102009132D

 14 10  0  0  0  0  0  0  0  0999 V2000
    7.1296    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1296    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3200    2.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5338    2.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7510    2.7797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.8001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (772)
773

>  <Formula> (772)
C6H14Cl4N4

>  <MolWeight> (772)
284.01416

>  <Cat> (772)
S5321

>  <Name> (772)
Y15

>  <Synonyms> (772)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (772)
FAK

>  <Form> (772)
tetrahydrochloride 

>  <CAS> (772)
4506-66-5

>  <URL> (772)
http://selleckchem.com/products/y15.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/06102009132D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
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 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  3  0  0  0  0
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 24 27  1  0  0  0  0
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M  END
>  <Mol_ID> (773)
774

>  <Formula> (773)
C17H21N6O4P

>  <MolWeight> (773)
404.360201

>  <Cat> (773)
S5243

>  <Name> (773)
Ruxolitinib Phosphate

>  <Synonyms> (773)
INCB018424, INC424

>  <Target> (773)
JAK

>  <Form> (773)
phosphate 

>  <CAS> (773)
1092939-17-7

>  <URL> (773)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5313 SC66.cdx
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (774)
775

>  <Formula> (774)
C18H16N2O

>  <MolWeight> (774)
276.33244

>  <Cat> (774)
S5313

>  <Name> (774)
SC66

>  <Synonyms> (774)
N/A

>  <Target> (774)
Akt

>  <Form> (774)
free base

>  <CAS> (774)
871361-88-5

>  <URL> (774)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6325    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (775)
776

>  <Formula> (775)
C12H17N5O

>  <MolWeight> (775)
247.29628

>  <Cat> (775)
S5316

>  <Name> (775)
NU2058

>  <Synonyms> (775)
O(6)-Cyclohexylmethylguanine

>  <Target> (775)
CDK

>  <Form> (775)
free base

>  <CAS> (775)
161058-83-9

>  <URL> (775)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/06102009132D

 35 39  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 11  1  0  0  0  0
M  END
>  <Mol_ID> (776)
777

>  <Formula> (776)
C27H32FN5O2

>  <MolWeight> (776)
477.5736832

>  <Cat> (776)
S8680

>  <Name> (776)
AZD1390

>  <Synonyms> (776)
N/A

>  <Target> (776)
ATM/ATR

>  <Form> (776)
free base

>  <CAS> (776)
2089288-03-7

>  <URL> (776)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/06102009132D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.9179    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1553    4.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (777)
778

>  <Formula> (777)
C22H25Cl2FN4O3

>  <MolWeight> (777)
483.3633032

>  <Cat> (777)
S5098

>  <Name> (777)
Gefitinib hydrochloride

>  <Synonyms> (777)
ZD1839 hydrochloride

>  <Target> (777)
EGFR

>  <Form> (777)
hydrochloride 

>  <CAS> (777)
184475-55-6

>  <URL> (777)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (778)
779

>  <Formula> (778)
C14H18N2O

>  <MolWeight> (778)
230.30552

>  <Cat> (778)
S8642

>  <Name> (778)
GSK'963

>  <Synonyms> (778)
N/A

>  <Target> (778)
NF-¦ÊB,TNF-alpha

>  <Form> (778)
free base

>  <CAS> (778)
2049868-46-2

>  <URL> (778)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/06102009132D

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>  <Mol_ID> (779)
780

>  <Formula> (779)
C6H4K2NO8V

>  <MolWeight> (779)
347.23596

>  <Cat> (779)
S8651

>  <Name> (779)
bpV (HOpic)

>  <Synonyms> (779)
Bisperoxovanadium(HOpic)

>  <Target> (779)
PTEN

>  <Form> (779)
potassium 

>  <CAS> (779)
722494-26-0

>  <URL> (779)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/06102009132D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (780)
781

>  <Formula> (780)
C23H24Cl2FN3O3

>  <MolWeight> (780)
480.3593632

>  <Cat> (780)
S8726

>  <Name> (780)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (780)
N/A

>  <Target> (780)
VEGFR

>  <Form> (780)
dihydrochloride 

>  <CAS> (780)
1360460-82-7

>  <URL> (780)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (781)
782

>  <Formula> (781)
C26H21F2N5O3

>  <MolWeight> (781)
489.4734464

>  <Cat> (781)
S8721

>  <Name> (781)
DCC-2618

>  <Synonyms> (781)
N/A

>  <Target> (781)
c-Kit

>  <CAS> (781)
 1225278-16-9

>  <URL> (781)
http://selleckchem.com/products/dcc-2618.html

$$$$
FGF401.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (782)
783

>  <Formula> (782)
C25H30N8O4

>  <MolWeight> (782)
506.5569

>  <Cat> (782)
S8548

>  <Name> (782)
FGF401

>  <Synonyms> (782)
N/A

>  <Target> (782)
FGFR

>  <Form> (782)
free base

>  <CAS> (782)
1708971-55-4

>  <URL> (782)
http://selleckchem.com/products/fgf401.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (783)
784

>  <Formula> (783)
C24H24F3N5O5S3

>  <MolWeight> (783)
615.6680696

>  <Cat> (783)
S5069

>  <Name> (783)
Dabrafenib Mesylate

>  <Synonyms> (783)
GSK2118436 Mesylate

>  <Target> (783)
Raf

>  <Form> (783)
mesylate

>  <CAS> (783)
1195768-06-9

>  <URL> (783)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (784)
785

>  <Formula> (784)
C33H39N5O7S

>  <MolWeight> (784)
649.75706

>  <Cat> (784)
S5234

>  <Name> (784)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (784)
Intedanib, BIBF 1120

>  <Target> (784)
VEGFR,FGFR,PDGFR

>  <Form> (784)
ethanesulfonate 

>  <CAS> (784)
656247-18-6

>  <URL> (784)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/06102009132D

 41 44  0  0  0  0  0  0  0  0999 V2000
   10.8290    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    3.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    7.8882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6787    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8912    7.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1036    7.8882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2500    9.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6194    9.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3194    8.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3826    7.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    9.2882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    9.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    5.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    5.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    5.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    5.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    3.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    7.1882    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7509    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9633    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1715    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9591    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1673    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  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
 15 19  1  0  0  0  0
 14 15  1  0  0  0  0
  8 11  1  0  0  0  0
 20 21  1  0  0  0  0
  7 20  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  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
 23 31  1  0  0  0  0
 26 31  2  0  0  0  0
 24 32  1  0  0  0  0
 27 33  1  0  0  0  0
 22 28  1  0  0  0  0
  4 22  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  2  0  0  0  0
 37 41  1  0  0  0  0
M  END
>  <Mol_ID> (785)
786

>  <Formula> (785)
C29H31FN4O7

>  <MolWeight> (785)
566.5774432

>  <Cat> (785)
S5242

>  <Name> (785)
Cediranib Maleate

>  <Synonyms> (785)
AZD-2171 maleate

>  <Target> (785)
VEGFR

>  <Form> (785)
maleate

>  <CAS> (785)
 857036-77-2

>  <URL> (785)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5248 Apatinib.cdx
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.6340    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215    4.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    4.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4082    2.8102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6340    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    4.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6294    2.1051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    4.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    6.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2762    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    6.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5005    4.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2786    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7035    6.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2336    5.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6243    5.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9267    7.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7149    7.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8551    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    9.2223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
 18 23  1  0  0  0  0
 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (786)
787

>  <Formula> (786)
C24H23N5O

>  <MolWeight> (786)
397.47232

>  <Cat> (786)
S5248

>  <Name> (786)
Apatinib

>  <Synonyms> (786)
YN968D1

>  <Target> (786)
VEGFR,c-RET

>  <Form> (786)
free base

>  <CAS> (786)
811803-05-1

>  <URL> (786)
http://selleckchem.com/products/apatinib.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/06102009132D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (787)
788

>  <Formula> (787)
C3H3BrO3

>  <MolWeight> (787)
166.95812

>  <Cat> (787)
S5426

>  <Name> (787)
Bromopyruvic acid

>  <Synonyms> (787)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (787)
Others

>  <Form> (787)
free base

>  <CAS> (787)
1113-59-3

>  <URL> (787)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/06102009132D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7862    1.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2043    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8093    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (788)
789

>  <Formula> (788)
C8H6BrN

>  <MolWeight> (788)
196.04394

>  <Cat> (788)
S5439

>  <Name> (788)
5-Bromoindole

>  <Synonyms> (788)
N/A

>  <Target> (788)
GSK-3

>  <Form> (788)
free base

>  <CAS> (788)
10075-50-0

>  <URL> (788)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/06102009132D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (789)
790

>  <Formula> (789)
C11H12O4

>  <MolWeight> (789)
208.21058

>  <Cat> (789)
S5451

>  <Name> (789)
Ferulic acid methyl ester

>  <Synonyms> (789)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (789)
Immunology & Inflammation related

>  <Form> (789)
free base

>  <CAS> (789)
149567

>  <URL> (789)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/06102009132D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
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  5 12  2  0  0  0  0
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  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
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  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (790)
791

>  <Formula> (790)
C20H14ClNO4

>  <MolWeight> (790)
367.78246

>  <Cat> (790)
S5452

>  <Name> (790)
Sanguinarine chloride

>  <Synonyms> (790)
N/A

>  <Target> (790)
phosphatase

>  <Form> (790)
chloride 

>  <CAS> (790)
5578-73-4

>  <URL> (790)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/06102009132D

 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
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    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   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
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   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
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    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
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  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
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 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 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
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 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> (791)
792

>  <Formula> (791)
C29H36O15

>  <MolWeight> (791)
624.58714

>  <Cat> (791)
S5458

>  <Name> (791)
Verbascoside

>  <Synonyms> (791)
Acteoside, Kusaginin

>  <Target> (791)
Immunology & Inflammation related

>  <Form> (791)
free base

>  <CAS> (791)
61276-17-3

>  <URL> (791)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.0998    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
    6.0567    0.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2680    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2618    0.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    0.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6759    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689    4.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1572    4.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7210    3.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    2.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417    3.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3787    5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9821    5.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8884    0.0006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2093    6.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  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 18  2  0  0  0  0
  8 10  1  0  0  0  0
 11  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 13  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
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M  END
>  <Mol_ID> (792)
793

>  <Formula> (792)
C20H16O5

>  <MolWeight> (792)
336.33804

>  <Cat> (792)
S5464

>  <Name> (792)
Psoralidin

>  <Synonyms> (792)
N/A

>  <Target> (792)
Estrogen/progestogen Receptor

>  <Form> (792)
free base

>  <CAS> (792)
18642-23-4

>  <URL> (792)
http://selleckchem.com/products/psoralidin.html

$$$$
S5529 Galangin.cdx
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6432    4.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8547    2.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    2.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    6.2592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    6.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
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 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (793)
794

>  <Formula> (793)
C15H10O5

>  <MolWeight> (793)
270.2369

>  <Cat> (793)
S5529

>  <Name> (793)
Galangin

>  <Synonyms> (793)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (793)
P450 (e.g. CYP17)

>  <Form> (793)
free base

>  <CAS> (793)
548-83-4

>  <URL> (793)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/06102009132D

 25 26  0  0  0  0  0  0  0  0999 V2000
    2.4247    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    2.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6322    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2011    4.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2223    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    4.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    2.8244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133    6.3222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6234    7.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (794)
795

>  <Formula> (794)
C20H29N3O2

>  <MolWeight> (794)
343.46316

>  <Cat> (794)
S5534

>  <Name> (794)
Cinchocaine

>  <Synonyms> (794)
Dibucaine

>  <Target> (794)
Others

>  <Form> (794)
free base

>  <CAS> (794)
85-79-0

>  <URL> (794)
http://selleckchem.com/products/cinchocaine.html

$$$$
UM-164.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (795)
796

>  <Formula> (795)
C30H31F3N8O3S

>  <MolWeight> (795)
640.6791496

>  <Cat> (795)
S8706

>  <Name> (795)
UM-164

>  <Synonyms> (795)
N/A

>  <Target> (795)
Src,p38 MAPK

>  <Form> (795)
free base

>  <CAS> (795)
903564-48-7

>  <URL> (795)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (796)
797

>  <Formula> (796)
C28H23ClF3N7O

>  <MolWeight> (796)
565.9767296

>  <Cat> (796)
S5205

>  <Name> (796)
Nilotinib hydrochloride

>  <Synonyms> (796)
AMN-107 HCl

>  <Target> (796)
Bcr-Abl

>  <Form> (796)
hydrochloride 

>  <CAS> (796)
923288-95-3

>  <URL> (796)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/06102009132D

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>  <Mol_ID> (797)
798

>  <Formula> (797)
C22H23ClN4O7S

>  <MolWeight> (797)
522.95862

>  <Cat> (797)
S5240

>  <Name> (797)
lenvatinib Mesylate

>  <Synonyms> (797)
N/A

>  <Target> (797)
VEGFR

>  <Form> (797)
Mesylate

>  <CAS> (797)
 857890-39-2

>  <URL> (797)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
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csChFnd80/06102009132D

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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (798)
799

>  <Formula> (798)
C6HBr4N3

>  <MolWeight> (798)
434.70824

>  <Cat> (798)
S5265

>  <Name> (798)
TBB

>  <Synonyms> (798)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (798)
Casein Kinase

>  <CAS> (798)
17374-26-4

>  <URL> (798)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (799)
800

>  <Formula> (799)
C22H28FN4O6P

>  <MolWeight> (799)
494.4530842

>  <Cat> (799)
S5272

>  <Name> (799)
Toceranib phosphate

>  <Synonyms> (799)
SU11654

>  <Target> (799)
PDGFR¦Â

>  <Form> (799)
phosphate 

>  <CAS> (799)
874819-74-6

>  <URL> (799)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (800)
801

>  <Formula> (800)
C25H23ClN4O4

>  <MolWeight> (800)
478.92752

>  <Cat> (800)
S8711

>  <Name> (800)
ARQ 531

>  <Synonyms> (800)
N/A

>  <Target> (800)
BTK

>  <Form> (800)
free base

>  <CAS> (800)
2095393-15-8

>  <URL> (800)
http://selleckchem.com/products/.html

$$$$
CCT245737.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (801)
802

>  <Formula> (801)
C16H16F3N7O

>  <MolWeight> (801)
379.3397496

>  <Cat> (801)
S8253

>  <Name> (801)
CCT245737 

>  <Synonyms> (801)
N/A

>  <Target> (801)
Chk

>  <Form> (801)
free base

>  <CAS> (801)
1489389-18-5

>  <URL> (801)
http://www.selleckchem.com/products/cct245737.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (802)
803

>  <Formula> (802)
C30H34N8O3

>  <MolWeight> (802)
554.64276

>  <Cat> (802)
S8724

>  <Name> (802)
Lazertinib (YH25448,GNS-1480)

>  <Form> (802)
free base

>  <CAS> (802)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/06102009132D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (803)
804

>  <Formula> (803)
C9H10O5

>  <MolWeight> (803)
198.1727

>  <Cat> (803)
S5550

>  <Name> (803)
Ethyl gallate

>  <Synonyms> (803)
N/A

>  <Target> (803)
NF-¦ÊB

>  <CAS> (803)
831-61-8

>  <URL> (803)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4329    2.0759    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6508    2.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (804)
805

>  <Formula> (804)
C15H24N2O2

>  <MolWeight> (804)
264.36326

>  <Cat> (804)
S9384

>  <Name> (804)
Sophocarpine Monohydrate

>  <Form> (804)
free base

>  <CAS> (804)
 145572-44-7

$$$$
S9414 Cyasterone.cdx
csChFnd80/06102009132D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.3112    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1113    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6034    3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6231    6.0456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1113    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    6.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4670    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    3.5009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (805)
806

>  <Formula> (805)
C29H44O8

>  <MolWeight> (805)
520.65486

>  <Cat> (805)
S9414

>  <Name> (805)
Cyasterone

>  <Form> (805)
free base

>  <CAS> (805)
17086-76-9

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/06102009132D

 48 52  0  0  0  0  0  0  0  0999 V2000
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 41 44  1  0  0  0  0
M  END
>  <Mol_ID> (806)
807

>  <Formula> (806)
C36H62O8

>  <MolWeight> (806)
622.87268

>  <Cat> (806)
S9023

>  <Name> (806)
20S-Ginsenoside Rh2

>  <Form> (806)
free base

>  <CAS> (806)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/06102009132D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5545    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9351    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (807)
808

>  <Formula> (807)
C38H46O8

>  <MolWeight> (807)
630.76704

>  <Cat> (807)
S9031

>  <Name> (807)
Gambogenic acid

>  <Form> (807)
free base

>  <CAS> (807)
173932-75-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (808)
809

>  <Formula> (808)
C21H20O6

>  <MolWeight> (808)
368.3799

>  <Cat> (808)
S9080

>  <Name> (808)
Anhydroicaritin

>  <Form> (808)
free base

>  <CAS> (808)
118525-40-9

$$$$
S9102 Magnolin.cdx
csChFnd80/06102009132D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.4497    4.3088    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1257    4.7469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2801    5.4352    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2953    3.6205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6801    5.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0  0  0  0
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 14  5  2  0  0  0  0
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 21  8  1  0  0  0  0
 12  8  2  0  0  0  0
 16  9  2  0  0  0  0
 19  9  1  0  0  0  0
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 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (809)
810

>  <Formula> (809)
C23H28O7

>  <MolWeight> (809)
416.46422

>  <Cat> (809)
S9102

>  <Name> (809)
Magnolin

>  <CAS> (809)
31008-18-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6120    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (810)
811

>  <Formula> (810)
C16H12O7

>  <MolWeight> (810)
316.26228

>  <Cat> (810)
S9111

>  <Name> (810)
Isorhamnetin

>  <Form> (810)
free base

>  <CAS> (810)
480-19-3

$$$$
S9120 Scutellarein.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (811)
812

>  <Formula> (811)
C15H10O6

>  <MolWeight> (811)
286.2363

>  <Cat> (811)
S9120

>  <Name> (811)
Scutellarein

>  <CAS> (811)
529-53-3

$$$$
S9127 Carnosol.cdx
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (812)
813

>  <Formula> (812)
C20H26O4

>  <MolWeight> (812)
330.41804

>  <Cat> (812)
S9127

>  <Name> (812)
Carnosol

>  <Form> (812)
free base

>  <CAS> (812)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/06102009132D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (813)
814

>  <Formula> (813)
C37H40N2O6

>  <MolWeight> (813)
608.7233

>  <Cat> (813)
S9141

>  <Name> (813)
Berbamine

>  <Form> (813)
free base

>  <CAS> (813)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (814)
815

>  <Formula> (814)
C20H18NO4+

>  <MolWeight> (814)
336.36122

>  <Cat> (814)
S9152

>  <Name> (814)
Epiberberine

>  <Form> (814)
free base

>  <CAS> (814)
1816598

$$$$
S9162 Rubimaillin.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (815)
816

>  <Formula> (815)
C17H16O4

>  <MolWeight> (815)
284.30654

>  <Cat> (815)
S9162

>  <Name> (815)
Rubimaillin

>  <CAS> (815)
55481-88-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (816)
817

>  <Formula> (816)
C15H20O2

>  <MolWeight> (816)
232.3181

>  <Cat> (816)
S9314

>  <Name> (816)
Atractylenolide II

>  <Form> (816)
free base

>  <CAS> (816)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (817)
818

>  <Formula> (817)
C21H22O7

>  <MolWeight> (817)
386.39518

>  <Cat> (817)
S9315

>  <Name> (817)
Praeruptorin A

>  <Form> (817)
free base

>  <CAS> (817)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/06102009132D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (818)
819

>  <Formula> (818)
C9H6O3

>  <MolWeight> (818)
162.14214

>  <Cat> (818)
S5548

>  <Name> (818)
7-Hydroxy-4-chromone

>  <Target> (818)
Src

>  <Form> (818)
free base

>  <CAS> (818)
59887-89-7

>  <URL> (818)
http://selleckchem.com/products/.html

$$$$
S9041 Corosolic acid.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (819)
820

>  <Formula> (819)
C30H48O4

>  <MolWeight> (819)
472.69972

>  <Cat> (819)
S9041

>  <Name> (819)
Corosolic acid

>  <Form> (819)
free base

>  <CAS> (819)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/06102009132D

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 17  3  2  0  0  0  0
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 11  5  1  0  0  0  0
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 12  7  1  0  0  0  0
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 13  8  1  0  0  0  0
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 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (820)
821

>  <Formula> (820)
C16H10O7

>  <MolWeight> (820)
314.2464

>  <Cat> (820)
S9042

>  <Name> (820)
Wedelolactone

>  <Form> (820)
free base

>  <CAS> (820)
524-12-9

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/06102009132D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (821)
822

>  <Formula> (821)
C15H8O4

>  <MolWeight> (821)
252.22162

>  <Cat> (821)
S9359

>  <Name> (821)
Anthraquinone-2-carboxylic Acid

>  <Form> (821)
free base

>  <CAS> (821)
117-78-2

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (822)
823

>  <Formula> (822)
C43H44ClFN4O11S3

>  <MolWeight> (822)
943.4760632

>  <Cat> (822)
S5241

>  <Name> (822)
Lapatinib ditosylate monohydrate

>  <Synonyms> (822)
Tykerb Ditosylate

>  <Target> (822)
Others

>  <Form> (822)
ditosylate monohydrate

>  <CAS> (822)
388082-78-8

>  <URL> (822)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/06102009132D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (823)
824

>  <Formula> (823)
C22H27Cl2N7O2S

>  <MolWeight> (823)
524.46648

>  <Cat> (823)
S5254

>  <Name> (823)
Dasatinib hydrochloride

>  <Synonyms> (823)
BMS 354825 hydrochloride

>  <Target> (823)
Abl/Src

>  <Form> (823)
hydrochloride 

>  <CAS> (823)
854001-07-3

>  <URL> (823)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (824)
825

>  <Formula> (824)
C27H32F2N8

>  <MolWeight> (824)
506.5933864

>  <Cat> (824)
S5716

>  <Name> (824)
Abemaciclib

>  <Synonyms> (824)
LY2835219

>  <Target> (824)
CDK

>  <Form> (824)
free base

>  <CAS> (824)
1231929-97-7 

>  <URL> (824)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/06102009132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (825)
826

>  <Formula> (825)
C21H19N3O5

>  <MolWeight> (825)
393.39266

>  <Cat> (825)
S5667

>  <Name> (825)
Fruquintinib

>  <Target> (825)
VEGFRs

>  <CAS> (825)
1194506-26-7

>  <URL> (825)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/06102009132D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 35 36  3  0  0  0  0
M  END
>  <Mol_ID> (826)
827

>  <Formula> (826)
C30H34N4O2

>  <MolWeight> (826)
482.61656

>  <Cat> (826)
S2762

>  <Name> (826)
Alectinib (CH5424802)

>  <Synonyms> (826)
AF-802,RG-7853

>  <Target> (826)
ALK

>  <Form> (826)
Free Base

>  <CAS> (826)
1256580-46-7

>  <URL> (826)
http://www.selleckchem.com/products/ch5424802.html

$$$$

csChFnd80/06102009132D

 42 44  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  9  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  2  0  0  0  0
 30 36  1  0  0  0  0
 11 37  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (827)
828

>  <Formula> (827)
C29H37N7O5S

>  <MolWeight> (827)
595.71298

>  <Cat> (827)
S5078

>  <Name> (827)
Osimertinib mesylate

>  <Synonyms> (827)
AZD9291 mesylate

>  <Target> (827)
EGFR

>  <Form> (827)
mesylate

>  <CAS> (827)
1421373-66-1

>  <URL> (827)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/06102009132D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (828)
829

>  <Formula> (828)
C16H21Cl2N3

>  <MolWeight> (828)
326.26404

>  <Cat> (828)
S5670

>  <Name> (828)
Chloropyramine hydrochloride

>  <Synonyms> (828)
Halopyramine hydrochloride

>  <Target> (828)
Histamine Receptor

>  <Form> (828)
hydrochloride

>  <CAS> (828)
6170-42-9

>  <URL> (828)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/06102009132D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6454    7.7618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4914    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  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
  8 12  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
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (829)
830

>  <Formula> (829)
C16H20N7O6PS

>  <MolWeight> (829)
469.412061

>  <Cat> (829)
S5754

>  <Name> (829)
Baricitinib phosphate

>  <Synonyms> (829)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (829)
JAK

>  <Form> (829)
phosphate

>  <CAS> (829)
1187595-84-1

>  <URL> (829)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4136    0.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2724    1.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4081    2.7858    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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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
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 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (830)
831

>  <Formula> (830)
C22H21ClN2O3

>  <MolWeight> (830)
396.86674

>  <Cat> (830)
S5792

>  <Name> (830)
CID 2011756

>  <Synonyms> (830)
N/A

>  <Target> (830)
Serine/threonin kina

>  <Form> (830)
Free Base

>  <CAS> (830)
638156-11-3

>  <URL> (830)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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 15  1  2  0  0  0  0
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 19  2  1  0  0  0  0
  3  9  2  0  0  0  0
  4  3  1  0  0  0  0
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 14  4  1  0  0  0  0
 10  5  1  0  0  0  0
 13  5  1  0  0  0  0
  6 11  2  0  0  0  0
  8  6  1  0  0  0  0
 12  7  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 14  8  1  0  0  0  0
  9 12  1  0  0  0  0
 18 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 12  2  0  0  0  0
 13 23  2  0  0  0  0
 16 25  2  0  0  0  0
 24 16  1  0  0  0  0
 20 18  1  0  0  0  0
 28 19  2  0  0  0  0
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M  END
>  <Mol_ID> (831)
832

>  <Formula> (831)
C22H23N5O

>  <MolWeight> (831)
373.45092

>  <Cat> (831)
S5793

>  <Name> (831)
Motesanib (AMG-706)

>  <Synonyms> (831)
N/A

>  <Target> (831)
VEGFR

>  <Form> (831)
Free Base

>  <CAS> (831)
453562-69-1

>  <URL> (831)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/06102009132D

 30 34  0  0  0  0  0  0  0  0999 V2000
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    8.3150    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7399    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7399    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8901    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 18 23  2  0  0  0  0
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M  END
>  <Mol_ID> (832)
833

>  <Formula> (832)
C21H16FN7O

>  <MolWeight> (832)
401.3964432

>  <Cat> (832)
S5818

>  <Name> (832)
acalisib (GS-9820)

>  <Synonyms> (832)
CAL-120

>  <Target> (832)
PI3K

>  <Form> (832)
Free Base

>  <CAS> (832)
870281-34-8

>  <URL> (832)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/06102009132D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (833)
834

>  <Formula> (833)
C6H6Br6

>  <MolWeight> (833)
557.53584

>  <Cat> (833)
S5902

>  <Name> (833)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (833)
NSC7908

>  <Target> (833)
JAK

>  <Form> (833)
Free Base

>  <CAS> (833)
1837-91-8

>  <URL> (833)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (834)
835

>  <Formula> (834)
C16H15N3O3

>  <MolWeight> (834)
297.3086

>  <Cat> (834)
S5903

>  <Name> (834)
JANEX-1

>  <Synonyms> (834)
WHI-P131

>  <Target> (834)
JAK

>  <Form> (834)
Free Base

>  <CAS> (834)
202475-60-3

>  <URL> (834)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (835)
836

>  <Formula> (835)
C16H13Br2N3O3

>  <MolWeight> (835)
455.10072

>  <Cat> (835)
S5904

>  <Name> (835)
WHI-P97

>  <Synonyms> (835)
N/A

>  <Target> (835)
JAK

>  <Form> (835)
Free Base

>  <CAS> (835)
211555-05-4

>  <URL> (835)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/06102009132D

 29 33  0  0  0  0  0  0  0  0999 V2000
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    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
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  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
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  8  9  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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  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 16 21  2  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (836)
837

>  <Formula> (836)
C22H23N5O2

>  <MolWeight> (836)
389.45032

>  <Cat> (836)
S5917

>  <Name> (836)
Solcitinib

>  <Synonyms> (836)
GLPG0778, GSK2586184

>  <Target> (836)
JAK

>  <Form> (836)
Free Base

>  <CAS> (836)
1206163-45-2

>  <URL> (836)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/06102009132D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  7 28  1  0  0  0  0
 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (837)
838

>  <Formula> (837)
C25H21F3N6O3S

>  <MolWeight> (837)
542.5328496

>  <Cat> (837)
S7965

>  <Name> (837)
PLX8394

>  <Synonyms> (837)
N/A

>  <Target> (837)
Raf

>  <Form> (837)
Free Base

>  <CAS> (837)
1393466-87-9

>  <URL> (837)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  5 14  1  0  0  0  0
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M  END
>  <Mol_ID> (838)
839

>  <Formula> (838)
C16H20BrN5O

>  <MolWeight> (838)
378.2669

>  <Cat> (838)
S8526

>  <Name> (838)
GDC-0575 (ARRY-575, RG7741)

>  <Synonyms> (838)
N/A

>  <Target> (838)
Chk

>  <Form> (838)
Free Base

>  <CAS> (838)
1196541-47-5

>  <URL> (838)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (839)
840

>  <Formula> (839)
C24H28N4O3

>  <MolWeight> (839)
420.50412

>  <Cat> (839)
S8556

>  <Name> (839)
AZ31

>  <Synonyms> (839)
N/A

>  <Target> (839)
ATM/ATR

>  <Form> (839)
Free Base

>  <CAS> (839)
2088113-98-6

>  <URL> (839)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/06102009132D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (840)
841

>  <Formula> (840)
C23H14ClF3N6O

>  <MolWeight> (840)
482.8450696

>  <Cat> (840)
S8560

>  <Name> (840)
Seletalisib (UCB-5857)

>  <Synonyms> (840)
N/A

>  <Target> (840)
PI3K

>  <Form> (840)
Free Base

>  <CAS> (840)
1362850-20-1

>  <URL> (840)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

csChFnd80/06102009132D

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   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  1  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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    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    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  4 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 11  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
 17 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 18  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (841)
842

>  <Formula> (841)
C29H29FN4O

>  <MolWeight> (841)
468.5651632

>  <Cat> (841)
S8609

>  <Name> (841)
Derazantinib(ARQ-087)

>  <Synonyms> (841)
N/A

>  <Target> (841)
FGFR

>  <Form> (841)
Free Base

>  <CAS> (841)
1234356-69-4

>  <URL> (841)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4569    7.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (842)
843

>  <Formula> (842)
C13H12ClN3O2

>  <MolWeight> (842)
277.70628

>  <Cat> (842)
S8641

>  <Name> (842)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (842)
Necrostatin-1 stable

>  <Target> (842)
TNF-alpha

>  <Form> (842)
Free Base

>  <CAS> (842)
852391-15-2

>  <URL> (842)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/06102009132D

 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
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    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
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 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> (843)
844

>  <Formula> (843)
C24H18ClN3O3

>  <MolWeight> (843)
431.87102

>  <Cat> (843)
S8654

>  <Name> (843)
ex229 (compound 991)

>  <Synonyms> (843)
N/A

>  <Target> (843)
AMPK

>  <Form> (843)
Free Base

>  <CAS> (843)
1219739-36-2

>  <URL> (843)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/06102009132D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.5326    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
    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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   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
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2779    9.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2397    8.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0146    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4787    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (844)
845

>  <Formula> (844)
C24H23FN8O2

>  <MolWeight> (844)
474.4902232

>  <Cat> (844)
S8679

>  <Name> (844)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (844)
N/A

>  <Target> (844)
BTK

>  <Form> (844)
Free Base

>  <CAS> (844)
2230724-66-8

>  <URL> (844)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  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 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (845)
846

>  <Formula> (845)
C14H11ClN4S2

>  <MolWeight> (845)
334.84694

>  <Cat> (845)
S8700

>  <Name> (845)
TP0427736 HCl

>  <Synonyms> (845)
N/A

>  <Target> (845)
ALK

>  <Form> (845)
hydrochloride

>  <CAS> (845)
864374-00-5

>  <URL> (845)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/06102009132D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.4725    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5347    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8974    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2601    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5517    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (846)
847

>  <Formula> (846)
C28H30FN3O4

>  <MolWeight> (846)
491.5539032

>  <Cat> (846)
S8723

>  <Name> (846)
ABBV-744

>  <Synonyms> (846)
N/A

>  <Target> (846)
Epigenetic Reader Do

>  <Form> (846)
Free Base

>  <CAS> (846)
2138861-99-9

>  <URL> (846)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (847)
848

>  <Formula> (847)
C18H18FN5O2S

>  <MolWeight> (847)
387.4312232

>  <Cat> (847)
S8727

>  <Name> (847)
Atuveciclib (BAY-1143572)

>  <Synonyms> (847)
N/A

>  <Target> (847)
CDK

>  <Form> (847)
Free Base

>  <CAS> (847)
1414943-88-6

>  <URL> (847)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/06102009132D

 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
    0.0000    2.8000    0.0000 C   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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  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> (848)
849

>  <Formula> (848)
C20H16N4O

>  <MolWeight> (848)
328.36724

>  <Cat> (848)
S8729

>  <Name> (848)
AZ32

>  <Synonyms> (848)
N/A

>  <Target> (848)
ATM/ATR

>  <Form> (848)
Free Base

>  <CAS> (848)
No CAS

>  <URL> (848)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/06102009132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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 19  7  1  0  0  0  0
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 24  8  1  0  0  0  0
 14 25  1  0  0  0  0
 12 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (849)
850

>  <Formula> (849)
C17H20F3N7O2

>  <MolWeight> (849)
411.3816096

>  <Cat> (849)
S8738

>  <Name> (849)
Bimiralisib (PQR309)

>  <Synonyms> (849)
N/A

>  <Target> (849)
PI3K

>  <Form> (849)
Free Base

>  <CAS> (849)
1225037-39-7

>  <URL> (849)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/06102009132D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.6373   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (850)
851

>  <Formula> (850)
C26H26FN7O2

>  <MolWeight> (850)
487.5287432

>  <Cat> (850)
S8741

>  <Name> (850)
Avitinib (AC0010)

>  <Synonyms> (850)
N/A

>  <Target> (850)
EGFR

>  <Form> (850)
Free Base

>  <CAS> (850)
1557267-42-1

>  <URL> (850)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/06102009132D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 17 18  2  0  0  0  0
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 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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  6 33  1  0  0  0  0
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 33 35  1  0  0  0  0
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M  END
>  <Mol_ID> (851)
852

>  <Formula> (851)
C25H25F3N4O4

>  <MolWeight> (851)
502.4856096

>  <Cat> (851)
S8745

>  <Name> (851)
LXH254

>  <Synonyms> (851)
N/A

>  <Target> (851)
Raf

>  <Form> (851)
Free Base

>  <CAS> (851)
1800398-38-2

>  <URL> (851)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/06102009132D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4938    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 14 18  1  0  0  0  0
 19 18  1  6  0  0  0
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 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
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  2 28  1  0  0  0  0
 28 29  1  0  0  0  0
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  7 31  1  0  0  0  0
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M  END
>  <Mol_ID> (852)
853

>  <Formula> (852)
C21H25F3N6O2

>  <MolWeight> (852)
450.4574096

>  <Cat> (852)
S8752

>  <Name> (852)
leniolisib(CDZ 173)

>  <Synonyms> (852)
N/A

>  <Target> (852)
PI3K

>  <Form> (852)
Free Base

>  <CAS> (852)
1354690-24-6

>  <URL> (852)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/06102009132D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 27 20  1  0  0  0  0
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  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (853)
854

>  <Formula> (853)
C19H15N3O6S

>  <MolWeight> (853)
413.4039

>  <Cat> (853)
S8754

>  <Name> (853)
Alofanib(RPT835)

>  <Synonyms> (853)
N/A

>  <Target> (853)
FGFR

>  <Form> (853)
Free Base

>  <CAS> (853)
1612888-66-0

>  <URL> (853)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/06102009132D

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  2  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 23  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (854)
855

>  <Formula> (854)
C24H21BrFN5O2

>  <MolWeight> (854)
510.3582432

>  <Cat> (854)
S8757

>  <Name> (854)
Ripretinib (DCC-2618)

>  <Synonyms> (854)
N/A

>  <Target> (854)
c-Kit

>  <Form> (854)
Free Base

>  <CAS> (854)
1442472-39-0

>  <URL> (854)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/06102009132D

 36 41  0  0  0  0  0  0  0  0999 V2000
   10.3779    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6525    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6525    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8650    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 16  9  1  0  0  0  0
 11 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26  7  1  0  0  0  0
 19 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 27  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
>  <Mol_ID> (855)
856

>  <Formula> (855)
C26H23FN8O

>  <MolWeight> (855)
482.5122232

>  <Cat> (855)
S8764

>  <Name> (855)
IITZ-01

>  <Synonyms> (855)
N/A

>  <Target> (855)
Autophagy

>  <Form> (855)
Free Base

>  <CAS> (855)
1807988-47-1

>  <URL> (855)
http://www.selleckchem.com/products/iitz-01.html

$$$$

csChFnd80/06102009132D

 29 33  0  0  0  0  0  0  0  0999 V2000
    5.2594    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4718    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1091    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7464   12.5203    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
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 10  5  1  0  0  0  0
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 10 12  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 11 19  1  0  0  0  0
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 22 11  2  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
>  <Mol_ID> (856)
857

>  <Formula> (856)
C24H24N4O

>  <MolWeight> (856)
384.47356

>  <Cat> (856)
S8775

>  <Name> (856)
HS-1371

>  <Synonyms> (856)
N/A

>  <Target> (856)
Serine/threonin kina

>  <Form> (856)
Free Base

>  <CAS> (856)
2158197-70-5

>  <URL> (856)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/06102009132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 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 27  1  0  0  0  0
M  END
>  <Mol_ID> (857)
858

>  <Formula> (857)
C25H27N5O2

>  <MolWeight> (857)
429.51418

>  <Cat> (857)
S8777

>  <Name> (857)
Evobrutinib

>  <Synonyms> (857)
M-2951, MSC-2364447C

>  <Target> (857)
BTK

>  <Form> (857)
Free Base

>  <CAS> (857)
1415823-73-2

>  <URL> (857)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/06102009132D

 33 35  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 15 20  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (858)
859

>  <Formula> (858)
C22H21F3N6O2

>  <MolWeight> (858)
458.4363496

>  <Cat> (858)
S8801

>  <Name> (858)
CC-90003

>  <Synonyms> (858)
N/A

>  <Target> (858)
ERK

>  <Form> (858)
Free Base

>  <CAS> (858)
1621999-82-3

>  <URL> (858)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/06102009132D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1476    4.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1542    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0575    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245    4.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6881    6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    6.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6354    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0603    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2105    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4286    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    7.0131    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 12 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  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
 21 26  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 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (859)
860

>  <Formula> (859)
C27H19ClN2O3

>  <MolWeight> (859)
454.90436

>  <Cat> (859)
S8803

>  <Name> (859)
MK-3903

>  <Synonyms> (859)
N/A

>  <Target> (859)
AMPK

>  <Form> (859)
Free Base

>  <CAS> (859)
1219737-12-8

>  <URL> (859)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/06102009132D

 44 48  0  0  0  0  0  0  0  0999 V2000
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
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    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1243    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1243    5.6000    0.0000 O   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
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    9.6994    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1 10  1  0  0  0  0
  3 11  2  0  0  0  0
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  1 12  1  0  0  0  0
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  5 22  1  0  0  0  0
 24 25  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 36  1  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
 41 42  1  0  0  0  0
 29 41  1  1  0  0  0
 28 43  1  6  0  0  0
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 23 25  1  0  0  0  0
  2 23  1  0  0  0  0
M  END
>  <Mol_ID> (860)
861

>  <Formula> (860)
C28H32O16

>  <MolWeight> (860)
624.54408

>  <Cat> (860)
S9455

>  <Name> (860)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (860)
N/A

>  <Target> (860)
Others

>  <Form> (860)
Free Base

>  <CAS> (860)
55033-90-4

>  <URL> (860)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/06102009132D

 12 13  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
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (861)
862

>  <Formula> (861)
C7H9N5

>  <MolWeight> (861)
163.17986

>  <Cat> (861)
S6088

>  <Name> (861)
6-(Dimethylamino)purine

>  <Synonyms> (861)
N,N-Dimethyladenine

>  <Target> (861)
Serine/threonin kina

>  <Form> (861)
free base

>  <CAS> (861)
938-55-6

>  <URL> (861)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/06102009132D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 37 32  1  0  0  0  0
 23 38  1  0  0  0  0
M  END
>  <Mol_ID> (862)
863

>  <Formula> (862)
C25H23FN8O2S2

>  <MolWeight> (862)
550.6309232

>  <Cat> (862)
S7564

>  <Name> (862)
SAR125844

>  <Synonyms> (862)
N/A

>  <Target> (862)
c-Met

>  <Form> (862)
free base

>  <CAS> (862)
1116743-46-4

>  <URL> (862)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/06102009132D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    9.7937    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2185    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (863)
864

>  <Formula> (863)
C25H26N6O2

>  <MolWeight> (863)
442.51294

>  <Cat> (863)
S8584

>  <Name> (863)
Theliatinib (HMPL-309)

>  <Synonyms> (863)
N/A

>  <Target> (863)
EGFR

>  <Form> (863)
free base

>  <CAS> (863)
1353644-70-8

>  <URL> (863)
http://www.selleck.cn/products/theliatinib-hmpl-309.html

$$$$

csChFnd80/06102009132D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (864)
865

>  <Formula> (864)
C27H25N5O2

>  <MolWeight> (864)
451.5197

>  <Cat> (864)
S8755

>  <Name> (864)
AZ304

>  <Synonyms> (864)
N/A

>  <Target> (864)
Raf

>  <Form> (864)
free base

>  <CAS> (864)
942507-42-8

>  <URL> (864)
http://www.selleck.cn/products/az304.html

$$$$

csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 10  1  6  0  0  0
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 14 16  1  6  0  0  0
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 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (865)
866

>  <Formula> (865)
C14H21N5O2S

>  <MolWeight> (865)
323.41384

>  <Cat> (865)
S8765

>  <Name> (865)
PF-04965842

>  <Synonyms> (865)
N/A

>  <Target> (865)
JAK

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    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
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    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
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 19 20  1  0  0  0  0
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  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> (870)
871

>  <Formula> (870)
C21H19ClNO4+

>  <MolWeight> (870)
384.83286

>  <Cat> (870)
S1292

>  <Name> (870)
Chelerythrine Chloride

>  <Synonyms> (870)
N/A

>  <Target> (870)
PKC

>  <Form> (870)
Chloride

>  <CAS> (870)
3895-92-9

>  <URL> (870)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/06102009132D

 38 41  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
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 10 11  2  0  0  0  0
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 19 20  1  0  0  0  0
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 22 23  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
 16 19  1  0  0  0  0
 10 12  1  0  0  0  0
  1  8  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 33 34  1  0  0  0  0
 31 33  1  0  0  0  0
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 29 35  1  0  0  0  0
 32 37  1  0  0  0  0
 28 38  1  0  0  0  0
  4 27  1  0  0  0  0
M  END
>  <Mol_ID> (871)
872

>  <Formula> (871)
C26H31Cl2N7O3

>  <MolWeight> (871)
560.47544

>  <Cat> (871)
S2183

>  <Name> (871)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (871)
N/A

>  <Target> (871)
FGFR

>  <Form> (871)
Free Base

>  <CAS> (871)
872511-34-7

>  <URL> (871)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/06102009132D

 28 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 12  7  1  0  0  0  0
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 17 14  1  0  0  0  0
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  4 20  1  0  0  0  0
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 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (872)
873

>  <Formula> (872)
C18H21F2N7O

>  <MolWeight> (872)
389.4024464

>  <Cat> (872)
S8804

>  <Name> (872)
PF-06700841

>  <Synonyms> (872)
PF-841

>  <Target> (872)
JAK

>  <Form> (872)
Free Base

>  <CAS> (872)
1883299-62-4

>  <URL> (872)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/06102009132D

 39 43  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (873)
874

>  <Formula> (873)
C30H35N7O2

>  <MolWeight> (873)
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>  <Cat> (873)
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>  <Name> (873)
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>  <Synonyms> (873)
N/A

>  <Target> (873)
EGFR

>  <Form> (873)
Free Base

>  <CAS> (873)
1899921-05-1

>  <URL> (873)
http://www.selleck.cn/products/hs-10296.html

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875

>  <Formula> (874)
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>  <MolWeight> (874)
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>  <Cat> (874)
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>  <Name> (874)
GSK3179106

>  <Synonyms> (874)
N/A

>  <Target> (874)
c-RET

>  <Form> (874)
Free Base

>  <CAS> (874)
1627856-64-7

>  <URL> (874)
http://www.selleck.cn/products/gsk3179106.html

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876

>  <Formula> (875)
C15H19Br2ClN4

>  <MolWeight> (875)
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>  <Cat> (875)
S8840

>  <Name> (875)
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>  <Synonyms> (875)
N/A

>  <Target> (875)
CDK

>  <Form> (875)
Free Base

>  <CAS> (875)
1609522-33-9

>  <URL> (875)
http://www.selleck.cn/products/sel120.html

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (876)
877

>  <Formula> (876)
C19H17N3O

>  <MolWeight> (876)
303.35778

>  <Cat> (876)
S2382

>  <Name> (876)
Evodiamine

>  <Synonyms> (876)
Isoevodiamine

>  <Target> (876)
NF-¦ÊB

>  <Form> (876)
Free Base

>  <CAS> (876)
518-17-2

>  <URL> (876)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

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>  <Formula> (877)
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>  <MolWeight> (877)
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>  <Cat> (877)
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>  <Synonyms> (877)
N/A

>  <Target> (877)
Epigenetic Reader Do

>  <Form> (877)
Free Base

>  <CAS> (877)
1300031-49-5

>  <URL> (877)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

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>  <Mol_ID> (878)
879

>  <Formula> (878)
C23H26N6O2

>  <MolWeight> (878)
418.49154

>  <Cat> (878)
S6414

>  <Name> (878)
Apilimod

>  <Synonyms> (878)
STA-5326

>  <Target> (878)
PI3K

>  <Form> (878)
Free Base

>  <CAS> (878)
541550-19-0

>  <URL> (878)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/06102009132D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  1  0  0  0
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>  <Mol_ID> (879)
880

>  <Formula> (879)
C25H35N3O2

>  <MolWeight> (879)
409.5643

>  <Cat> (879)
S6418

>  <Name> (879)
PF 429242

>  <Synonyms> (879)
N/A

>  <Target> (879)
S1P Receptor

>  <Form> (879)
Free Base

>  <CAS> (879)
947303-87-9

>  <URL> (879)
http://www.selleck.cn/products/pf429242.html

$$$$

csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
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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
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
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 18 13  1  0  0  0  0
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>  <Mol_ID> (880)
881

>  <Formula> (880)
C23H19NO3

>  <MolWeight> (880)
357.40186

>  <Cat> (880)
S6424

>  <Name> (880)
TAS-301

>  <Synonyms> (880)
N/A

>  <Target> (880)
Others

>  <Form> (880)
Free Base

>  <CAS> (880)
193620-69-8

>  <URL> (880)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/06102009132D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 22 17  2  0  0  0  0
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  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (881)
882

>  <Formula> (881)
C23H18N6O2

>  <MolWeight> (881)
410.42802

>  <Cat> (881)
S7137

>  <Name> (881)
GLPG0634 analogue

>  <Synonyms> (881)
N/A

>  <Target> (881)
JAK

>  <Form> (881)
Free Base

>  <CAS> (881)
1206101-20-3

>  <URL> (881)
http://www.selleck.cn/products/glpg0634.html

$$$$

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 40 44  0  0  0  0  0  0  0  0999 V2000
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    7.2746    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  7 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  7  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
 24 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
>  <Mol_ID> (882)
883

>  <Formula> (882)
C29H39ClN7O2P

>  <MolWeight> (882)
584.092421

>  <Cat> (882)
S8229

>  <Name> (882)
Brigatinib (AP26113)

>  <Synonyms> (882)
N/A

>  <Target> (882)
ALK

>  <Form> (882)
Free Base

>  <CAS> (882)
1197953-54-0

>  <URL> (882)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/06102009132D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   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    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (883)
884

>  <Formula> (883)
C19H18N4O3

>  <MolWeight> (883)
350.37122

>  <Cat> (883)
S8684

>  <Name> (883)
Selective JAK3 inhibitor 1

>  <Synonyms> (883)
N/A

>  <Target> (883)
JAK

>  <Form> (883)
Free Base

>  <CAS> (883)
1443235-95-7

>  <URL> (883)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/06102009132D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5229    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1645    5.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    6.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419    5.9315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1025    6.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0049    8.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7465    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859    7.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 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
 21 32  1  0  0  0  0
M  END
>  <Mol_ID> (884)
885

>  <Formula> (884)
C23H20FN7O

>  <MolWeight> (884)
429.4496032

>  <Cat> (884)
S8693

>  <Name> (884)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (884)
N/A

>  <Target> (884)
PI3K

>  <Form> (884)
Free Base

>  <CAS> (884)
2088525-31-7

>  <URL> (884)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/06102009132D

 50 56  0  0  0  0  0  0  0  0999 V2000
   16.9606    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9606    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1730    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3855    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7442    5.0641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1136    4.7730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8136    5.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8769    7.0258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6831    3.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  2  0  0  0  0
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 13  7  1  0  0  0  0
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 29 30  2  0  0  0  0
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 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
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 40 41  1  0  0  0  0
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 41 43  1  0  0  0  0
 20 44  1  1  0  0  0
 44 45  1  0  0  0  0
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 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49  8  1  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (885)
886

>  <Formula> (885)
C37H41N9O3S

>  <MolWeight> (885)
691.84494

>  <Cat> (885)
S8701

>  <Name> (885)
MK-8353 (SCH900353)

>  <Synonyms> (885)
N/A

>  <Target> (885)
ERK

>  <Form> (885)
Free Base

>  <CAS> (885)
1184173-73-6

>  <URL> (885)
http://www.selleck.cn/products/mk-8353-sch900353.html

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csChFnd80/06102009132D

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>  <Mol_ID> (886)
887

>  <Formula> (886)
C19H16N4O3

>  <MolWeight> (886)
348.35534

>  <Cat> (886)
S8753

>  <Name> (886)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (886)
N/A

>  <Target> (886)
Epigenetic Reader Do

>  <Form> (886)
Free Base

>  <CAS> (886)
1628607-64-6

>  <URL> (886)
http://www.selleck.cn/products/incb054329.html

$$$$

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>  <Mol_ID> (887)
888

>  <Formula> (887)
C32H31N3O5S

>  <MolWeight> (887)
569.67064

>  <Cat> (887)
S8788

>  <Name> (887)
CH7057288

>  <Synonyms> (887)
N/A

>  <Target> (887)
Trk receptor

>  <Form> (887)
Free Base

>  <CAS> (887)
2095616-82-1

>  <URL> (887)
http://www.selleck.cn/products/ch7057288.html

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (888)
889

>  <Formula> (888)
C27H29N5O3

>  <MolWeight> (888)
471.55086

>  <Cat> (888)
S8791

>  <Name> (888)
Zanubrutinib (BGB-3111)

>  <Synonyms> (888)
N/A

>  <Target> (888)
BTK

>  <Form> (888)
Free Base

>  <CAS> (888)
1691249-45-2

>  <URL> (888)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

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 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (889)
890

>  <Formula> (889)
C22H16F4N4OS

>  <MolWeight> (889)
460.4472528

>  <Cat> (889)
S8793

>  <Name> (889)
ULK-101

>  <Synonyms> (889)
N/A

>  <Target> (889)
Autophagy

>  <Form> (889)
Free Base

>  <CAS> (889)
no cas

>  <URL> (889)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    5.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    4.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0544    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (890)
891

>  <Formula> (890)
C14H14ClFN8

>  <MolWeight> (890)
348.7659632

>  <Cat> (890)
S2162

>  <Name> (890)
AZD1480

>  <Synonyms> (890)
N/A

>  <Target> (890)
JAK

>  <Form> (890)
free base

>  <CAS> (890)
935666-88-9

>  <URL> (890)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/06102009132D

 37 41  0  0  0  0  0  0  0  0999 V2000
   21.4061    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9275    1.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5489    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6490    1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1276    3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5062    3.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8275    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2276    4.2893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8489    4.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3702    2.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490    5.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7365    4.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8487    6.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4699    6.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3116    4.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0996    2.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0992    5.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    2.3182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2498    2.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2494    5.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4620    4.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    4.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7002    1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    5.1177    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 34  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
>  <Mol_ID> (891)
892

>  <Formula> (891)
C26H21F3N4O4

>  <MolWeight> (891)
510.4645496

>  <Cat> (891)
S6412

>  <Name> (891)
Altiratinib

>  <Synonyms> (891)
DCC-2701

>  <Target> (891)
Trk receptor

>  <Form> (891)
free base

>  <CAS> (891)
1345847-93-9

>  <URL> (891)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.9031    2.9884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8511    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    0.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2678    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    3.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8400    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8863    1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (892)
893

>  <Formula> (892)
C13H13NO3S

>  <MolWeight> (892)
263.31222

>  <Cat> (892)
S6497

>  <Name> (892)
SMI-16a

>  <Synonyms> (892)
N/A

>  <Target> (892)
Pim

>  <Form> (892)
free base

>  <CAS> (892)
587852-28-6

>  <URL> (892)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/06102009132D

 28 30  0  0  0  0  0  0  0  0999 V2000
   14.8525    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.2525    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 25  1  0  0  0  0
  5 15  2  0  0  0  0
  6 24  2  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 24  1  0  0  0  0
  9 27  2  0  0  0  0
 10 13  2  0  0  0  0
 10 15  1  0  0  0  0
 10 17  1  0  0  0  0
 11 16  1  0  0  0  0
 11 19  2  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 14 16  2  0  0  0  0
 14 21  1  0  0  0  0
 14 23  1  0  0  0  0
 17 20  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (893)
894

>  <Formula> (893)
C19H14F3N3O3

>  <MolWeight> (893)
389.3279696

>  <Cat> (893)
S6498

>  <Name> (893)
T56-LIMKi

>  <Synonyms> (893)
N/A

>  <Target> (893)
Others

>  <Form> (893)
free base

>  <CAS> (893)
924473-59-6

>  <URL> (893)
http://www.selleck.cn/products/t56-limki.html

$$$$

csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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895

>  <Formula> (894)
C16H13ClN4

>  <MolWeight> (894)
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S6499

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PF-6260933

>  <Synonyms> (894)
N/A

>  <Target> (894)
Serine/threonin kina

>  <Form> (894)
free base

>  <CAS> (894)
1811510-56-1

>  <URL> (894)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (895)
896

>  <Formula> (895)
C16H13FN2O2

>  <MolWeight> (895)
284.2850232

>  <Cat> (895)
S6500

>  <Name> (895)
KX1-004

>  <Synonyms> (895)
N/A

>  <Target> (895)
Src

>  <Form> (895)
free base

>  <CAS> (895)
518058-84-9

>  <URL> (895)
http://www.selleck.cn/products/kx1-004.html

$$$$

csChFnd80/06102009132D

 31 36  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 16  6  1  0  0  0  0
 20  5  1  0  0  0  0
 18 22  1  0  0  0  0
 22  1  1  0  0  0  0
 14 23  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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 31 25  2  0  0  0  0
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>  <Mol_ID> (896)
897

>  <Formula> (896)
C25H25N3O2S

>  <MolWeight> (896)
431.5499

>  <Cat> (896)
S6501

>  <Name> (896)
NVP 231

>  <Synonyms> (896)
N/A

>  <Target> (896)
Others

>  <Form> (896)
free base

>  <CAS> (896)
362003-83-6

>  <URL> (896)
http://www.selleck.cn/products/nvp-231.html

$$$$

csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (897)
898

>  <Formula> (897)
C20H20ClN5O2

>  <MolWeight> (897)
397.8581

>  <Cat> (897)
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>  <Name> (897)
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>  <Synonyms> (897)
N/A

>  <Target> (897)
p38 MAPK

>  <Form> (897)
free base

>  <CAS> (897)
271576-80-8

>  <URL> (897)
http://www.selleck.cn/products/sd-0006.html

$$$$

csChFnd80/06102009132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (898)
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>  <Cat> (898)
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>  <Name> (898)
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>  <Synonyms> (898)
N/A

>  <Target> (898)
BACE

>  <Form> (898)
free base

>  <CAS> (898)
333745-53-2

>  <URL> (898)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8264    3.8640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8364    4.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    5.4340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1958    4.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2361    3.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4485    3.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576    5.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    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  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  5 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 14 17  1  0  0  0  0
  7 14  2  0  0  0  0
  6 21  2  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (899)
900

>  <Formula> (899)
C15H14N4O2

>  <MolWeight> (899)
282.29726

>  <Cat> (899)
S6504

>  <Name> (899)
BX517

>  <Synonyms> (899)
N/A

>  <Target> (899)
PDK

>  <Form> (899)
free base

>  <CAS> (899)
850717-64-5

>  <URL> (899)
http://www.selleck.cn/products/bx517.html

$$$$

csChFnd80/06102009132D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.6993    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1861    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3984    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3984    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8233    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8496    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.8998    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    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
  7  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
 16 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  6  0  0  0
 25 26  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 30 34  1  0  0  0  0
 33 35  1  0  0  0  0
 29 36  1  0  0  0  0
 26 28  1  0  0  0  0
  3 25  1  0  0  0  0
  4 37  1  0  0  0  0
M  END
>  <Mol_ID> (900)
901

>  <Formula> (900)
C25H25Cl2FN6O3

>  <MolWeight> (900)
547.4088032

>  <Cat> (900)
S6505

>  <Name> (900)
X-376

>  <Synonyms> (900)
N/A

>  <Target> (900)
ALK

>  <Form> (900)
free base

>  <CAS> (900)
1365267-27-1

>  <URL> (900)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/06102009132D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 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
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  8  1  1  0  0  0  0
  4  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
 12  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 16  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 10 11  1  0  0  0  0
 19 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
 20 16  2  0  0  0  0
 19 21  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (901)
902

>  <Formula> (901)
C16H15N3O2

>  <MolWeight> (901)
281.3092

>  <Cat> (901)
S6506

>  <Name> (901)
Compound 401

>  <Synonyms> (901)
N/A

>  <Target> (901)
DNA-PK

>  <Form> (901)
free base

>  <CAS> (901)
168425-64-7

>  <URL> (901)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/06102009132D

 36 37  0  0  0  0  0  0  0  0999 V2000
   12.7627    1.9478    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    0.5478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627    3.3478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627    1.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   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
    1.2124    4.9000    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
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  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
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  6 12  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 25 27  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (902)
903

>  <Formula> (902)
C24H28ClN2O7PS

>  <MolWeight> (902)
554.980081

>  <Cat> (902)
S6507

>  <Name> (902)
KN-92 phosphate

>  <Synonyms> (902)
N/A

>  <Target> (902)
Others

>  <Form> (902)
phosphate

>  <CAS> (902)
1135280-28-2

>  <URL> (902)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/06102009132D

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.9492    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.2244    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  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
  1 10  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  9 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 28  1  0  0  0  0
 21 23  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 32  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
 18 21  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (903)
904

>  <Formula> (903)
C24H26N4O3S

>  <MolWeight> (903)
450.55324

>  <Cat> (903)
S6508

>  <Name> (903)
Mitapivat

>  <Synonyms> (903)
AG-348

>  <Target> (903)
PKM

>  <Form> (903)
free base

>  <CAS> (903)
1260075-17-9

>  <URL> (903)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/06102009132D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  3  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (904)
905

>  <Formula> (904)
C16H12N2O3

>  <MolWeight> (904)
280.27808

>  <Cat> (904)
S6509

>  <Name> (904)
AG 494

>  <Synonyms> (904)
N/A

>  <Target> (904)
EGFR

>  <Form> (904)
free base

>  <CAS> (904)
133550-35-3

>  <URL> (904)
http://www.selleck.cn/products/ag-494.html

$$$$

csChFnd80/06102009132D

 22 22  0  0  0  0  0  0  0  0999 V2000
   10.0012    2.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    2.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    4.1906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    2.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2141    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5628    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2134    5.5906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4344    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4157    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  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
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 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
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (905)
906

>  <Formula> (905)
C14H19Cl2N3O2S

>  <MolWeight> (905)
364.29056

>  <Cat> (905)
S6510

>  <Name> (905)
Iso-H7 dihydrochloride

>  <Synonyms> (905)
N/A

>  <Target> (905)
Phosphorylase

>  <Form> (905)
dihydrochloride

>  <CAS> (905)
140663-38-3

>  <URL> (905)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/06102009132D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.3124    4.2312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.7312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8876    1.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.9187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9224    0.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1620    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3652    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (906)
907

>  <Formula> (906)
C13H19NO2

>  <MolWeight> (906)
221.29546

>  <Cat> (906)
S6511

>  <Name> (906)
RIPA-56

>  <Synonyms> (906)
N/A

>  <Target> (906)
TNF-alpha

>  <Form> (906)
free base

>  <CAS> (906)
1956370-21-0

>  <URL> (906)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/06102009132D

 21 21  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9135    3.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    5.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  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
  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 20  2  0  0  0  0
 13 14  1  0  0  0  0
  2 13  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (907)
908

>  <Formula> (907)
C16H23NO4

>  <MolWeight> (907)
293.35812

>  <Cat> (907)
S6512

>  <Name> (907)
MHP

>  <Synonyms> (907)
N/A

>  <Target> (907)
S1P Receptor

>  <Form> (907)
free base

>  <CAS> (907)
1104874-94-3

>  <URL> (907)
http://www.selleck.cn/products/defensamide.html

$$$$

csChFnd80/06102009132D

 38 43  0  0  0  0  0  0  0  0999 V2000
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   13.2864    3.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6486    5.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9341    3.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6587    6.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (908)
909

>  <Formula> (908)
C29H34ClN7O

>  <MolWeight> (908)
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>  <Cat> (908)
S6513

>  <Name> (908)
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>  <Synonyms> (908)
N/A

>  <Target> (908)
ALK

>  <Form> (908)
free base

>  <CAS> (908)
1356962-34-9

>  <URL> (908)
http://www.selleck.cn/products/hg-14-10-04.html

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csChFnd80/06102009132D

 34 38  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  2  0  0  0  0
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 11 16  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 18 23  1  0  0  0  0
 24 25  2  0  0  0  0
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 21 24  1  0  0  0  0
 17 18  1  0  0  0  0
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  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (909)
910

>  <Formula> (909)
C21H28N8O3S2

>  <MolWeight> (909)
504.62882

>  <Cat> (909)
S6516

>  <Name> (909)
GNE-477

>  <Synonyms> (909)
N/A

>  <Target> (909)
PI3K

>  <Form> (909)
free base

>  <CAS> (909)
1032754-81-6

>  <URL> (909)
http://www.selleck.cn/products/gne-477.html

$$$$

csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
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  7 23  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 16  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 17  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (910)
911

>  <Formula> (910)
C16H13FN4O2

>  <MolWeight> (910)
312.2984232

>  <Cat> (910)
S6519

>  <Name> (910)
R112

>  <Synonyms> (910)
N/A

>  <Target> (910)
Syk

>  <Form> (910)
free base

>  <CAS> (910)
575474-82-7

>  <URL> (910)
http://www.selleck.cn/products/r112.html

$$$$

csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 14 20  1  0  0  0  0
  7 11  1  0  0  0  0
  3  7  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (911)
912

>  <Formula> (911)
C16H15N3O3

>  <MolWeight> (911)
297.3086

>  <Cat> (911)
S6520

>  <Name> (911)
WHI-P180

>  <Synonyms> (911)
N/A

>  <Target> (911)
VEGFR

>  <Form> (911)
free base

>  <CAS> (911)
211555-08-7

>  <URL> (911)
http://www.selleck.cn/products/whi-p180.html

$$$$

csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
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>  <Mol_ID> (912)
913

>  <Formula> (912)
C16H15N3O2

>  <MolWeight> (912)
281.3092

>  <Cat> (912)
S6521

>  <Name> (912)
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>  <Synonyms> (912)
N/A

>  <Target> (912)
JAK

>  <Form> (912)
free base

>  <CAS> (912)
21561-09-1

>  <URL> (912)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/06102009132D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (913)
914

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C16H20N2O2

>  <MolWeight> (913)
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>  <Cat> (913)
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>  <Synonyms> (913)
N/A

>  <Target> (913)
Phospholipase (e.g. 

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free base

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106392-48-7

>  <URL> (913)
http://www.selleck.cn/products/st271.html

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csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  3  0  0  0  0
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M  END
>  <Mol_ID> (914)
915

>  <Formula> (914)
C14H8Cl2N2

>  <MolWeight> (914)
275.13272

>  <Cat> (914)
S6523

>  <Name> (914)
RG14620

>  <Synonyms> (914)
Tyrphostin RG14620

>  <Target> (914)
EGFR

>  <Form> (914)
free base

>  <CAS> (914)
136831-49-7

>  <URL> (914)
http://www.selleck.cn/products/rg14620.html

$$$$

csChFnd80/06102009132D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (915)
916

>  <Formula> (915)
C23H24N2O

>  <MolWeight> (915)
344.44946

>  <Cat> (915)
S6524

>  <Name> (915)
NSC 42834

>  <Synonyms> (915)
JAK2 Inhibitor V

>  <Target> (915)
JAK

>  <Form> (915)
free base

>  <CAS> (915)
195371-52-9

>  <URL> (915)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/06102009132D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6 10  2  0  0  0  0
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  7 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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M  END
>  <Mol_ID> (916)
917

>  <Formula> (916)
C19H18N2O3

>  <MolWeight> (916)
322.35782

>  <Cat> (916)
S6525

>  <Name> (916)
AG 555

>  <Synonyms> (916)
Tyrphostin B46

>  <Target> (916)
EGFR

>  <Form> (916)
free base

>  <CAS> (916)
133550-34-2

>  <URL> (916)
http://www.selleck.cn/products/ag555.html

$$$$

csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
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918

>  <Formula> (917)
C20H14F3N3S

>  <MolWeight> (917)
385.4054696

>  <Cat> (917)
S6529

>  <Name> (917)
NIH-12848

>  <Synonyms> (917)
N/A

>  <Target> (917)
Others

>  <Form> (917)
free base

>  <CAS> (917)
959551-10-1

>  <URL> (917)
http://www.selleck.cn/products/nih-12848.html

$$$$

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 29 30  0  0  0  0  0  0  0  0999 V2000
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919

>  <Formula> (918)
C25H30N2O2

>  <MolWeight> (918)
390.5179

>  <Cat> (918)
S6535

>  <Name> (918)
SU1498

>  <Synonyms> (918)
N/A

>  <Target> (918)
VEGFR

>  <Form> (918)
free base

>  <CAS> (918)
168835-82-3

>  <URL> (918)
http://www.selleck.cn/products/su1498.html

$$$$

csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 13 16  1  0  0  0  0
  6 11  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (919)
920

>  <Formula> (919)
C16H14N2O2S2

>  <MolWeight> (919)
330.42456

>  <Cat> (919)
S6536

>  <Name> (919)
TTP 22

>  <Synonyms> (919)
N/A

>  <Target> (919)
Casein Kinase

>  <Form> (919)
free base

>  <CAS> (919)
329907-28-0

>  <URL> (919)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/06102009132D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 12  3  1  0  0  0  0
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 11  5  1  0  0  0  0
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 10  8  1  0  0  0  0
 13 10  1  0  0  0  0
 23 11  1  0  0  0  0
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 27 23  1  0  0  0  0
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M  END
>  <Mol_ID> (920)
921

>  <Formula> (920)
C20H28N6O3

>  <MolWeight> (920)
400.47472

>  <Cat> (920)
S6537

>  <Name> (920)
CVT-313

>  <Synonyms> (920)
N/A

>  <Target> (920)
CDK

>  <Form> (920)
free base

>  <CAS> (920)
199986-75-9

>  <URL> (920)
http://www.selleck.cn/products/cvt-313.html

$$$$

csChFnd80/06102009132D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (921)
922

>  <Formula> (921)
C29H24F3N5O

>  <MolWeight> (921)
515.5289696

>  <Cat> (921)
S6538

>  <Name> (921)
B-Raf IN 1

>  <Synonyms> (921)
N/A

>  <Target> (921)
Raf

>  <Form> (921)
free base

>  <CAS> (921)
950736-05-7

>  <URL> (921)
http://www.selleck.cn/products/b-rafin-1.html

$$$$

csChFnd80/06102009132D

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1952236-05-3

>  <URL> (922)
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>  <Formula> (923)
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>  <Cat> (923)
S6543

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N/A

>  <Target> (923)
VEGFR

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free base

>  <CAS> (923)
413599-62-9

>  <URL> (923)
http://www.selleck.cn/products/zd-4190.html

$$$$

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>  <MolWeight> (924)
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N/A

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free base

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1454585-06-8

>  <URL> (924)
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>  <Synonyms> (925)
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>  <CAS> (925)
1227948-02-8

>  <URL> (925)
http://www.selleck.cn/products/bi-4464.html

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    0.0000    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6952    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
 14 28  2  0  0  0  0
 28 13  1  0  0  0  0
M  END
>  <Mol_ID> (926)
927

>  <Formula> (926)
C22H19N3O3

>  <MolWeight> (926)
373.40456

>  <Cat> (926)
S6567

>  <Name> (926)
Src Inhibitor 1

>  <Synonyms> (926)
N/A

>  <Target> (926)
Src

>  <Form> (926)
free base

>  <CAS> (926)
179248-59-0

>  <URL> (926)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/06102009132D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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
    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 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
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  7 16  2  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 20 23  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
 14 17  1  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (927)
928

>  <Formula> (927)
C19H20N4O3

>  <MolWeight> (927)
352.3871

>  <Cat> (927)
S6571

>  <Name> (927)
BQR695

>  <Synonyms> (927)
NVP-BQR695

>  <Target> (927)
PI4K

>  <Form> (927)
free base

>  <CAS> (927)
1513879-21-4

>  <URL> (927)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
    9.6993    8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.8464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    8.2463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0307    8.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8538    7.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0308    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.8462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4635    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5267    4.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3287    2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2654    3.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8327    4.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1442    0.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0251    1.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    8.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (928)
929

>  <Formula> (928)
C22H18ClN5O2

>  <MolWeight> (928)
419.86362

>  <Cat> (928)
S6574

>  <Name> (928)
KDU691

>  <Synonyms> (928)
N/A

>  <Target> (928)
PI4K

>  <Form> (928)
free base

>  <CAS> (928)
1513879-19-0

>  <URL> (928)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/06102009132D

 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
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 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> (929)
930

>  <Formula> (929)
C20H25F3N6O3

>  <MolWeight> (929)
454.4461096

>  <Cat> (929)
S6577

>  <Name> (929)
PKC-theta inhibitor

>  <Synonyms> (929)
N/A

>  <Target> (929)
PKC

>  <Form> (929)
free base

>  <CAS> (929)
736048-65-0

>  <URL> (929)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.3132    0.7282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9209    0.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3513    1.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3918    4.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    4.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    4.1979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8168    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0251    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2335    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4416    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0750    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7726    1.5897    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3774    4.0063    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2833    3.4956    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    2.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    3.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 18  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
>  <Mol_ID> (930)
931

>  <Formula> (930)
C16H16F3N5

>  <MolWeight> (930)
335.3269496

>  <Cat> (930)
S6578

>  <Name> (930)
Longdaysin

>  <Synonyms> (930)
N/A

>  <Target> (930)
Casein Kinase

>  <Form> (930)
free base

>  <CAS> (930)
1353867-91-0

>  <URL> (930)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/06102009132D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
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932

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C21H17N9O2S

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S8676

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Glumetinib

>  <Synonyms> (931)
N/A

>  <Target> (931)
c-Met

>  <Form> (931)
free base

>  <CAS> (931)
1642581-63-2

>  <URL> (931)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (932)
933

>  <Formula> (932)
C20H12F2N6

>  <MolWeight> (932)
374.3462864

>  <Cat> (932)
S8854

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JNJ-38877618(OMO-1)

>  <Synonyms> (932)
N/A

>  <Target> (932)
c-Met

>  <Form> (932)
free base

>  <CAS> (932)
943540-74-7

>  <URL> (932)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (933)
934

>  <Formula> (933)
C21H31N5O2

>  <MolWeight> (933)
385.50314

>  <Cat> (933)
S8864

>  <Name> (933)
ZT-12-037-01

>  <Synonyms> (933)
N/A

>  <Target> (933)
Serine/threonin kina

>  <Form> (933)
free base

>  <CAS> (933)
2328073-61-4

>  <URL> (933)
http://www.selleck.cn/products/zt-12-037-01.html

$$$$

csChFnd80/06102009132D

 33 37  0  0  0  0  0  0  0  0999 V2000
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935

>  <Formula> (934)
C25H23N5O2S

>  <MolWeight> (934)
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>  <Cat> (934)
S8867

>  <Name> (934)
Bentamapimod

>  <Synonyms> (934)
N/A

>  <Target> (934)
JNK

>  <Form> (934)
free base

>  <CAS> (934)
848344-36-5

>  <URL> (934)
http://www.selleck.cn/products/bentamapimod.html

$$$$

csChFnd80/06102009132D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (935)
936

>  <Formula> (935)
C26H34N8O

>  <MolWeight> (935)
474.60116

>  <Cat> (935)
S8568

>  <Name> (935)
G1T38

>  <Synonyms> (935)
Lerociclib

>  <Target> (935)
CDK

>  <Form> (935)
free base

>  <CAS> (935)
1628256-23-4

>  <URL> (935)
http://www.selleck.cn/products/g1t38.html

$$$$
AY-20590
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (936)
937

>  <Formula> (936)
C16H10N2O2

>  <MolWeight> (936)
262.2628

>  <Cat> (936)
P3252

>  <Name> (936)
AY-20590

>  <Synonyms> (936)
N/A

>  <Target> (936)
Mcl-1,Anti-infection,PDGFR

>  <Form> (936)
free base

>  <CAS> (936)
57490-73-0

>  <URL> (936)
N/A

$$$$
WAY-313218
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (937)
938

>  <Formula> (937)
C19H20FNO

>  <MolWeight> (937)
297.3666032

>  <Cat> (937)
P3321

>  <Name> (937)
WAY-313218

>  <Synonyms> (937)
N/A

>  <Target> (937)
11¦Â-HSD1 

>  <Form> (937)
free base

>  <CAS> (937)
260428-69-1

>  <URL> (937)
N/A

$$$$
WAY-313013
csChFnd80/06102009132D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (938)
939

>  <Formula> (938)
C12H14BrNO2

>  <MolWeight> (938)
284.14906

>  <Cat> (938)
P3319

>  <Name> (938)
WAY-313013

>  <Synonyms> (938)
N/A

>  <Target> (938)
p38,histamine-3 (H3) receptor

>  <Form> (938)
free base

>  <CAS> (938)
326898-76-4

>  <URL> (938)
N/A

$$$$
GI-560708
csChFnd80/06102009132D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (939)
940

>  <Formula> (939)
C20H18N4O2

>  <MolWeight> (939)
346.38252

>  <Cat> (939)
P3258

>  <Name> (939)
GI-560708

>  <Synonyms> (939)
N/A

>  <Target> (939)
BCR-ABL 

>  <Form> (939)
free base

>  <CAS> (939)
2362-25-6

>  <URL> (939)
N/A

$$$$
WAY-345438
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  3  0  0  0  0
 10  3  2  0  0  0  0
 11 14  1  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 22  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  1  0  0  0  0
 17  5  1  0  0  0  0
 18 20  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 16  2  0  0  0  0
 24 16  1  0  0  0  0
 25  6  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 18 19  2  0  0  0  0
  4  6  1  0  0  0  0
 29 25  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <Mol_ID> (940)
941

>  <Formula> (940)
C24H19N3O2S

>  <MolWeight> (940)
413.49156

>  <Cat> (940)
P3390

>  <Name> (940)
WAY-345438

>  <Synonyms> (940)
N/A

>  <Target> (940)
Casein kinase 1¦Ä

>  <Form> (940)
free base

>  <CAS> (940)
571174-12-4

>  <URL> (940)
N/A

$$$$
WAY-311066
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
   -0.0655    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0655    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4931    0.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0552    0.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897    0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6276   -2.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6276   -2.8897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 15 20  2  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (941)
942

>  <Formula> (941)
C21H17N3O3

>  <MolWeight> (941)
359.37798

>  <Cat> (941)
P3314

>  <Name> (941)
WAY-311066

>  <Synonyms> (941)
N/A

>  <Target> (941)
Casein kinase 1¦Ä

>  <Form> (941)
free base

>  <CAS> (941)
332074-85-8

>  <URL> (941)
N/A

$$$$
WAY-312567
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.5101    0.2860    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3688    0.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3688    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8899    1.0274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7481   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6899   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    1.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -2.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9101    1.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    0.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -2.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2519   -1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6105   -0.5140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (942)
943

>  <Formula> (942)
C16H20N2O2S

>  <MolWeight> (942)
304.4072

>  <Cat> (942)
P3317

>  <Name> (942)
WAY-312567

>  <Synonyms> (942)
N/A

>  <Target> (942)
Anti-infection

>  <Form> (942)
free base

>  <CAS> (942)
330955-59-4

>  <URL> (942)
N/A

$$$$
WAY-312157
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -1.7172    0.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3483    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2655    1.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4793    3.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -2.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483    3.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9862    4.0483    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3345   -2.5310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -2.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8483    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9931   -2.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034   -3.9690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828   -0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (943)
944

>  <Formula> (943)
C14H18N2O2S

>  <MolWeight> (943)
278.36992

>  <Cat> (943)
P3316

>  <Name> (943)
WAY-312157

>  <Synonyms> (943)
N/A

>  <Target> (943)
ATP-utilizing enzyme

>  <Form> (943)
free base

>  <CAS> (943)
354544-70-0

>  <URL> (943)
N/A

$$$$
WAY-114228
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2833    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2833    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.8115    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0722    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    2.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722    6.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5060    2.0851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6326    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2227    0.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1682    2.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9630    2.0673    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
   13.3790    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1682    4.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3733    4.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    2.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5841    4.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
  3  5  1  0  0  0  0
 13 14  2  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (944)
945

>  <Formula> (944)
C21H23NO

>  <MolWeight> (944)
305.41342

>  <Cat> (944)
P3264

>  <Name> (944)
WAY-114228

>  <Synonyms> (944)
N/A

>  <Target> (944)
MEK1

>  <Form> (944)
free base

>  <CAS> (944)
333325-96-5

>  <URL> (944)
N/A

$$$$
WAY-239320
csChFnd80/06102009132D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0556    2.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0556    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    4.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2929    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0803    6.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 22  1  0  0  0  0
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 22 13  2  0  0  0  0
 23 18  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 16  1  0  0  0  0
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 29 23  1  0  0  0  0
  4  3  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (945)
946

>  <Formula> (945)
C22H21N3O4

>  <MolWeight> (945)
391.41984

>  <Cat> (945)
P3268

>  <Name> (945)
WAY-239320

>  <Synonyms> (945)
N/A

>  <Target> (945)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (945)
free base

>  <CAS> (945)
378775-98-5

>  <URL> (945)
N/A

$$$$
WAY-248134
csChFnd80/06102009132D

 15 16  0  0  0  0  0  0  0  0999 V2000
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   -2.4655    0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7655    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  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
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (946)
947

>  <Formula> (946)
C10H11N3OS

>  <MolWeight> (946)
221.27884

>  <Cat> (946)
P3270

>  <Name> (946)
WAY-248134

>  <Synonyms> (946)
N/A

>  <Target> (946)
LIMK1£¬IKK¦Â

>  <Form> (946)
free base

>  <CAS> (946)
67795-42-0

>  <URL> (946)
N/A

$$$$
WAY-296817
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (947)
948

>  <Formula> (947)
C17H16N2O3S

>  <MolWeight> (947)
328.38554

>  <Cat> (947)
P3296

>  <Name> (947)
WAY-296817

>  <Synonyms> (947)
N/A

>  <Target> (947)
casein kinase 1

>  <Form> (947)
free base

>  <CAS> (947)
349438-74-0

>  <URL> (947)
N/A

$$$$
WAY-296818
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2207    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9552    0.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (948)
949

>  <Formula> (948)
C17H16N2O2S

>  <MolWeight> (948)
312.38614

>  <Cat> (948)
P3297

>  <Name> (948)
WAY-296818

>  <Synonyms> (948)
N/A

>  <Target> (948)
casein kinase 1

>  <Form> (948)
free base

>  <CAS> (948)
349438-77-3

>  <URL> (948)
N/A

$$$$
WAY-635764
csChFnd80/06102009132D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0125   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667   -1.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0750   -3.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 25  1  0  0  0  0
 12  2  2  0  0  0  0
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 14  3  2  0  0  0  0
 15 17  1  0  0  0  0
 16 13  1  0  0  0  0
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 18 24  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 26  2  0  0  0  0
 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29 15  1  0  0  0  0
 30 18  1  0  0  0  0
 31 22  1  0  0  0  0
  5  4  1  0  0  0  0
 23  9  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (949)
950

>  <Formula> (949)
C23H31N3O5

>  <MolWeight> (949)
429.50934

>  <Cat> (949)
P3487

>  <Name> (949)
WAY-635764

>  <Synonyms> (949)
N/A

>  <Target> (949)
Aurora kinase A

>  <Form> (949)
free base

>  <CAS> (949)
790267-88-8

>  <URL> (949)
N/A

$$$$
WAY-635767
csChFnd80/06102009132D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.4833   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8500   -0.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9083   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875    1.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    1.5583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
  3  5  1  0  0  0  0
 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (950)
951

>  <Formula> (950)
C12H12ClN3O

>  <MolWeight> (950)
249.69618

>  <Cat> (950)
P3488

>  <Name> (950)
WAY-635767

>  <Synonyms> (950)
N/A

>  <Target> (950)
Aurora kinase A

>  <Form> (950)
free base

>  <CAS> (950)
790232-33-6

>  <URL> (950)
N/A

$$$$
WAY-654447
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.5333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3125    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3000   -1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7458    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  9  1  0  0  0  0
  8  4  2  0  0  0  0
  9 14  1  0  0  0  0
 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  2  0  0  0  0
 22 21  1  0  0  0  0
  8  5  1  0  0  0  0
 22 19  2  0  0  0  0
  9 15  2  0  0  0  0
M  END
>  <Mol_ID> (951)
952

>  <Formula> (951)
C16H14N4O2

>  <MolWeight> (951)
294.30796

>  <Cat> (951)
P3519

>  <Name> (951)
WAY-654447

>  <Synonyms> (951)
N/A

>  <Target> (951)
FLT3,Androgen Receptor

>  <Form> (951)
free base

>  <CAS> (951)
852304-07-5

>  <URL> (951)
N/A

$$$$
CL-16859
csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.5616   -1.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8987   -2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7622   -3.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (952)
953

>  <Formula> (952)
C14H20N2O2

>  <MolWeight> (952)
248.3208

>  <Cat> (952)
P3254

>  <Name> (952)
CL-16859

>  <Synonyms> (952)
N/A

>  <Target> (952)
Anti-infection 

>  <Form> (952)
free base

>  <CAS> (952)
438025-86-6

>  <URL> (952)
N/A

$$$$
WAY-320706
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.0542    0.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -0.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8042   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7833    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  1  1  0  0  0  0
  8 13  1  0  0  0  0
  9  6  2  0  0  0  0
 10  7  2  0  0  0  0
 11  2  1  0  0  0  0
 12  6  1  0  0  0  0
 13 21  1  0  0  0  0
 14 10  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  1  0  0  0  0
 17  7  1  0  0  0  0
 18 20  1  0  0  0  0
 19 13  2  0  0  0  0
 20 17  2  0  0  0  0
 21 11  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (953)
954

>  <Formula> (953)
C13H11ClN6OS2

>  <MolWeight> (953)
366.84904

>  <Cat> (953)
P3328

>  <Name> (953)
WAY-320706

>  <Synonyms> (953)
N/A

>  <Target> (953)
Anti-infection, ATOH-1

>  <Form> (953)
free base

>  <CAS> (953)
370092-42-5

>  <URL> (953)
N/A

$$$$
WAY-320774
csChFnd80/06102009132D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -2.9625    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2833    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1458    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    1.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292    0.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333    0.3333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 22 16  2  0  0  0  0
 23 18  2  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  7  5  2  0  0  0  0
  6  9  2  0  0  0  0
 23 22  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (954)
955

>  <Formula> (954)
C19H16N4O2S

>  <MolWeight> (954)
364.42094

>  <Cat> (954)
P3329

>  <Name> (954)
WAY-320774

>  <Synonyms> (954)
N/A

>  <Target> (954)
Kanamycin Resistance Enzyme Eis

>  <Form> (954)
free base

>  <CAS> (954)
425653-38-9

>  <URL> (954)
N/A

$$$$
WAY-320951
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.3029    0.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1443    0.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409   -0.4727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8788    0.8031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5788   -0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7029    0.6204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9685   -0.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (955)
956

>  <Formula> (955)
C14H11N3O4S

>  <MolWeight> (955)
317.31984

>  <Cat> (955)
P3330

>  <Name> (955)
WAY-320951

>  <Synonyms> (955)
N/A

>  <Target> (955)
Anti-infection

>  <Form> (955)
free base

>  <CAS> (955)
430444-03-4

>  <URL> (955)
N/A

$$$$
WAY-321002
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4448    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.8752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    1.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448   -1.6007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -0.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5966   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -1.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    2.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -2.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9793    3.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    3.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  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
 19 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7  9  2  0  0  0  0
 11 14  2  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (956)
957

>  <Formula> (956)
C20H16N4

>  <MolWeight> (956)
312.36784

>  <Cat> (956)
P3331

>  <Name> (956)
WAY-321002

>  <Synonyms> (956)
N/A

>  <Target> (956)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (956)
free base

>  <CAS> (956)
166039-38-9

>  <URL> (956)
N/A

$$$$
WAY-321364
csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1032   -0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.9968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    0.3515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8894    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894   -0.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3894    0.1032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0411   -1.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376    0.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -1.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624   -0.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0412   -2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -0.9485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -0.3278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8377   -2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3169   -1.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6106    0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2072    1.1032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589    1.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    1.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0831    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0831    0.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9106    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6624    2.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9072    0.3515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3106    1.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (957)
958

>  <Formula> (957)
C21H17N3O4

>  <MolWeight> (957)
375.37738

>  <Cat> (957)
P3332

>  <Name> (957)
WAY-321364

>  <Synonyms> (957)
N/A

>  <Target> (957)
casein kinase 2

>  <Form> (957)
free base

>  <CAS> (957)
385389-39-9

>  <URL> (957)
N/A

$$$$
WAY-321366
csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7105    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0209    0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830    0.2828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416    1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2830    0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968   -1.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4032    0.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8209    0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3446   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2968    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0308   -1.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0830    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1105    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7791   -0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4584   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8274   -0.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2032   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2515   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6205   -1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9895    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6791   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4170    0.1172    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  2  0  0  0  0
 16 17  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (958)
959

>  <Formula> (958)
C20H14ClN3O3

>  <MolWeight> (958)
379.79646

>  <Cat> (958)
P3333

>  <Name> (958)
WAY-321366

>  <Synonyms> (958)
N/A

>  <Target> (958)
tyrosine kinase

>  <Form> (958)
free base

>  <CAS> (958)
370854-75-4

>  <URL> (958)
N/A

$$$$
WAY-321582-A
csChFnd80/06102009132D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.1897    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621   -0.1308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0621    0.7209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6793    0.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -0.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0690   -0.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5310   -0.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517   -0.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (959)
960

>  <Formula> (959)
C13H11N3O

>  <MolWeight> (959)
225.24594

>  <Cat> (959)
P3334

>  <Name> (959)
WAY-321582-A

>  <Synonyms> (959)
N/A

>  <Target> (959)
casein kinase 2

>  <Form> (959)
free base

>  <CAS> (959)
34116-16-0

>  <URL> (959)
N/A

$$$$
WAY-321873
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.2667    2.8708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8458   -0.4042    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
   -2.2625   -0.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5958   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    3.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8000   -1.4875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667    4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6542    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5667    3.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4042    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792    6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (960)
961

>  <Formula> (960)
C21H17N5O4S

>  <MolWeight> (960)
435.45578

>  <Cat> (960)
P3335

>  <Name> (960)
WAY-321873

>  <Synonyms> (960)
N/A

>  <Target> (960)
 GATA4-NKX2-5,AKT

>  <Form> (960)
free base

>  <CAS> (960)
547704-53-0

>  <URL> (960)
N/A

$$$$
WAY-321961
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (961)
962

>  <Formula> (961)
C12H11NO3

>  <MolWeight> (961)
217.22064

>  <Cat> (961)
P3336

>  <Name> (961)
WAY-321961

>  <Synonyms> (961)
N/A

>  <Target> (961)
protein kinase D

>  <Form> (961)
free base

>  <CAS> (961)
370586-05-3

>  <URL> (961)
N/A

$$$$
WAY-322545
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 18  1  0  0  0  0
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M  END
>  <Mol_ID> (962)
963

>  <Formula> (962)
C17H19ClN2O3

>  <MolWeight> (962)
334.79736

>  <Cat> (962)
P3337

>  <Name> (962)
WAY-322545

>  <Synonyms> (962)
N/A

>  <Target> (962)
GSK-3¦Á/¦Â

>  <Form> (962)
free base

>  <CAS> (962)
451449-70-0

>  <URL> (962)
N/A

$$$$
WAY-322940
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (963)
964

>  <Formula> (963)
C22H20N4O4S

>  <MolWeight> (963)
436.4836

>  <Cat> (963)
P3338

>  <Name> (963)
WAY-322940

>  <Synonyms> (963)
N/A

>  <Target> (963)
Rho 

>  <Form> (963)
free base

>  <CAS> (963)
445267-51-6

>  <URL> (963)
N/A

$$$$
WAY-604116
csChFnd80/06102009132D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (964)
965

>  <Formula> (964)
C17H22N2O

>  <MolWeight> (964)
270.36938

>  <Cat> (964)
P3436

>  <Name> (964)
WAY-604116

>  <Synonyms> (964)
N/A

>  <Target> (964)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (964)
free base

>  <CAS> (964)
121768-39-6

>  <URL> (964)
N/A

$$$$
WAY-603610
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 13 12  1  0  0  0  0
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 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
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  3  5  1  0  0  0  0
  7 14  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (965)
966

>  <Formula> (965)
C17H19N3OS

>  <MolWeight> (965)
313.41726

>  <Cat> (965)
P3434

>  <Name> (965)
WAY-603610

>  <Synonyms> (965)
N/A

>  <Target> (965)
GSK3

>  <Form> (965)
free base

>  <CAS> (965)
380450-97-5

>  <URL> (965)
N/A

$$$$
WAY-603814
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 12 17  2  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (966)
967

>  <Formula> (966)
C16H13ClN2O3

>  <MolWeight> (966)
316.73902

>  <Cat> (966)
P3435

>  <Name> (966)
WAY-603814

>  <Synonyms> (966)
N/A

>  <Target> (966)
FGFR1, HSP 90 

>  <Form> (966)
free base

>  <CAS> (966)
308298-51-3

>  <URL> (966)
N/A

$$$$
WAY-636900
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3 15  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  1  1  0  0  0  0
 13 10  2  0  0  0  0
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 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 17  4  2  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 16  2  0  0  0  0
 21 22  1  0  0  0  0
 22 13  1  0  0  0  0
 23 11  1  0  0  0  0
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 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  9 14  1  0  0  0  0
 13  7  1  0  0  0  0
 30 26  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (967)
968

>  <Formula> (967)
C20H20N4O5S

>  <MolWeight> (967)
428.4616

>  <Cat> (967)
P3489

>  <Name> (967)
WAY-636900

>  <Synonyms> (967)
N/A

>  <Target> (967)
Aurora kinase A

>  <Form> (967)
free base

>  <CAS> (967)
792965-51-6

>  <URL> (967)
N/A

$$$$
WAY-636982
csChFnd80/06102009132D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.4728   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  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
  6 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6  8  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (968)
969

>  <Formula> (968)
C10H14N2O4

>  <MolWeight> (968)
226.22916

>  <Cat> (968)
P3490

>  <Name> (968)
WAY-636982

>  <Synonyms> (968)
N/A

>  <Target> (968)
Aurora kinase A

>  <Form> (968)
free base

>  <CAS> (968)
834-45-7

>  <URL> (968)
N/A

$$$$
WAY-637081
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  7  2  0  0  0  0
  7 12  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  2  0  0  0  0
 12 14  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 19  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 17  1  0  0  0  0
 21  6  1  0  0  0  0
 22 13  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 17 18  2  0  0  0  0
 10 13  2  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (969)
970

>  <Formula> (969)
C17H11ClN4O2

>  <MolWeight> (969)
338.74784

>  <Cat> (969)
P3491

>  <Name> (969)
WAY-637081

>  <Synonyms> (969)
N/A

>  <Target> (969)
VEGFR2,Casein kinase 1d

>  <Form> (969)
free base

>  <CAS> (969)
793722-88-0

>  <URL> (969)
N/A

$$$$
WAY-637493
csChFnd80/06102009132D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
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Fyn

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free base

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791600-64-1

>  <URL> (970)
N/A

$$$$
WAY-637845
csChFnd80/06102009132D

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N/A

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others

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free base

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794539-14-3

>  <URL> (971)
N/A

$$$$
WAY-655860
csChFnd80/06102009132D

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973

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241.31154

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WAY-655860

>  <Synonyms> (972)
N/A

>  <Target> (972)
B-Raf

>  <Form> (972)
free base

>  <CAS> (972)
63895-45-4

>  <URL> (972)
N/A

$$$$
WAY-655978
csChFnd80/06102009132D

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974

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P3521

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WAY-655978

>  <Synonyms> (973)
N/A

>  <Target> (973)
ROCK, ERK, GSK, and AGC

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free base

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692869-98-0

>  <URL> (973)
N/A

$$$$
WAY-656283
csChFnd80/06102009132D

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975

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>  <Name> (974)
WAY-656283

>  <Synonyms> (974)
N/A

>  <Target> (974)
p38

>  <Form> (974)
free base

>  <CAS> (974)
263270-62-8

>  <URL> (974)
N/A

$$$$
WAY-656935
csChFnd80/06102009132D

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>  <Mol_ID> (975)
976

>  <Formula> (975)
C17H15N3O2S

>  <MolWeight> (975)
325.3849

>  <Cat> (975)
P3523

>  <Name> (975)
WAY-656935

>  <Synonyms> (975)
N/A

>  <Target> (975)
 ROCK, ERK, GSK, and AGC 

>  <Form> (975)
free base

>  <CAS> (975)
852902-81-9

>  <URL> (975)
N/A

$$$$
WAY-657460
csChFnd80/06102009132D

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>  <Synonyms> (976)
N/A

>  <Target> (976)
 ROCK, ERK, GSK, and AGC 

>  <Form> (976)
free base

>  <CAS> (976)
853325-19-6

>  <URL> (976)
N/A

$$$$
WAY-323534
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (977)
978

>  <Formula> (977)
C20H16ClN3O

>  <MolWeight> (977)
349.81354

>  <Cat> (977)
P3339

>  <Name> (977)
WAY-323534

>  <Synonyms> (977)
N/A

>  <Target> (977)
PASK

>  <Form> (977)
free base

>  <CAS> (977)
854040-96-3

>  <URL> (977)
N/A

$$$$
WAY-323878-A
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (978)
979

>  <Formula> (978)
C16H14N2O

>  <MolWeight> (978)
250.29516

>  <Cat> (978)
P3340

>  <Name> (978)
WAY-323878-A

>  <Synonyms> (978)
N/A

>  <Target> (978)
CDK

>  <Form> (978)
free base

>  <CAS> (978)
1185726-51-5

>  <URL> (978)
N/A

$$$$
WAY-323879
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (979)
980

>  <Formula> (979)
C15H14N2O

>  <MolWeight> (979)
238.28446

>  <Cat> (979)
P3341

>  <Name> (979)
WAY-323879

>  <Synonyms> (979)
N/A

>  <Target> (979)
CDK

>  <Form> (979)
free base

>  <CAS> (979)
685097-43-2

>  <URL> (979)
N/A

$$$$
WAY-324418
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (980)
981

>  <Formula> (980)
C11H10N4O2S

>  <MolWeight> (980)
262.2877

>  <Cat> (980)
P3342

>  <Name> (980)
WAY-324418

>  <Synonyms> (980)
N/A

>  <Target> (980)
Anti-infection

>  <Form> (980)
free base

>  <CAS> (980)
681838-49-3

>  <URL> (980)
N/A

$$$$
WAY-324420
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (981)
982

>  <Formula> (981)
C12H12N4O2S

>  <MolWeight> (981)
276.31428

>  <Cat> (981)
P3343

>  <Name> (981)
WAY-324420

>  <Synonyms> (981)
N/A

>  <Target> (981)
Anti-infection

>  <Form> (981)
free base

>  <CAS> (981)
681838-50-6

>  <URL> (981)
N/A

$$$$
WAY-324709
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (982)
983

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C15H9FN2O3

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284.2419632

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P3344

>  <Name> (982)
WAY-324709

>  <Synonyms> (982)
N/A

>  <Target> (982)
ATP-kinase

>  <Form> (982)
free base

>  <CAS> (982)
69785-85-9

>  <URL> (982)
N/A

$$$$
WAY-325065
csChFnd80/06102009132D

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 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (983)
984

>  <Formula> (983)
C16H17N7S

>  <MolWeight> (983)
339.41808

>  <Cat> (983)
P3345

>  <Name> (983)
WAY-325065

>  <Synonyms> (983)
N/A

>  <Target> (983)
MtSk

>  <Form> (983)
free base

>  <CAS> (983)
689762-76-3

>  <URL> (983)
N/A

$$$$
WAY-325185
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (984)
985

>  <Formula> (984)
C17H21N5O3

>  <MolWeight> (984)
343.38034

>  <Cat> (984)
P3346

>  <Name> (984)
WAY-325185

>  <Synonyms> (984)
N/A

>  <Target> (984)
VEGFR

>  <Form> (984)
free base

>  <CAS> (984)
342785-98-2

>  <URL> (984)
N/A

$$$$
WAY-325484
csChFnd80/06102009132D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (985)
986

>  <Formula> (985)
C16H18N4

>  <MolWeight> (985)
266.34092

>  <Cat> (985)
P3347

>  <Name> (985)
WAY-325484

>  <Synonyms> (985)
N/A

>  <Target> (985)
CDK8

>  <Form> (985)
free base

>  <CAS> (985)
642002-74-2

>  <URL> (985)
N/A

$$$$
WAY-325485
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (986)
987

>  <Formula> (986)
C17H13N3O

>  <MolWeight> (986)
275.30462

>  <Cat> (986)
P3348

>  <Name> (986)
WAY-325485

>  <Synonyms> (986)
N/A

>  <Target> (986)
Others

>  <Form> (986)
free base

>  <CAS> (986)
177937-81-4

>  <URL> (986)
N/A

$$$$
WAY-325487
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (987)
988

>  <Formula> (987)
C17H12FN3O

>  <MolWeight> (987)
293.2950832

>  <Cat> (987)
P3349

>  <Name> (987)
WAY-325487

>  <Synonyms> (987)
N/A

>  <Target> (987)
Others

>  <Form> (987)
free base

>  <CAS> (987)
575471-15-7

>  <URL> (987)
N/A

$$$$
WAY-325490
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.8387    7.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8387    6.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    6.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    8.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6455    8.2861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9466    6.2085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2603   10.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1034    9.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2721    9.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1361    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4334    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027    5.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7027    6.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4053    6.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0281    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  3  4  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (988)
989

>  <Formula> (988)
C16H10ClN3O

>  <MolWeight> (988)
295.7231

>  <Cat> (988)
P3350

>  <Name> (988)
WAY-325490

>  <Synonyms> (988)
N/A

>  <Target> (988)
mitogen activated protein kinase-activated p

>  <Form> (988)
free base

>  <CAS> (988)
77607-70-6

>  <URL> (988)
N/A

$$$$
WAY-606344
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1958   -0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750    0.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4458    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2500   -1.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    3.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2500    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  2  0  0  0  0
 10 18  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 11  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19  8  1  0  0  0  0
 20  8  2  0  0  0  0
  5  4  2  0  0  0  0
 13 14  2  0  0  0  0
 10 17  1  0  0  0  0
M  END
>  <Mol_ID> (989)
990

>  <Formula> (989)
C14H8ClN3O2

>  <MolWeight> (989)
285.68522

>  <Cat> (989)
P3437

>  <Name> (989)
WAY-606344

>  <Synonyms> (989)
N/A

>  <Target> (989)
Casein kinase 1d

>  <Form> (989)
free base

>  <CAS> (989)
380423-28-9

>  <URL> (989)
N/A

$$$$
WAY-606954
csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.0375    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1083   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22 23  1  0  0  0  0
 23 21  2  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 13  1  0  0  0  0
 22 20  2  0  0  0  0
M  END
>  <Mol_ID> (990)
991

>  <Formula> (990)
C18H20N4O

>  <MolWeight> (990)
308.3776

>  <Cat> (990)
P3438

>  <Name> (990)
WAY-606954

>  <Synonyms> (990)
N/A

>  <Target> (990)
GSK3

>  <Form> (990)
free base

>  <CAS> (990)
748145-12-2

>  <URL> (990)
N/A

$$$$
WAY-606956
csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.0375    1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3958    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1083   -0.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3958   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 10  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 23  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
  9 10  2  0  0  0  0
  3  5  1  0  0  0  0
  7 13  1  0  0  0  0
 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (991)
992

>  <Formula> (991)
C18H20N4O

>  <MolWeight> (991)
308.3776

>  <Cat> (991)
P3439

>  <Name> (991)
WAY-606956

>  <Synonyms> (991)
N/A

>  <Target> (991)
GSK3

>  <Form> (991)
free base

>  <CAS> (991)
748145-19-9

>  <URL> (991)
N/A

$$$$
WAY-606957
csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.2960   -3.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960   -5.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 20  2  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 15  2  0  0  0  0
 23 15  1  0  0  0  0
  9 10  2  0  0  0  0
  3  4  2  0  0  0  0
 21 16  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (992)
993

>  <Formula> (992)
C18H20N4O

>  <MolWeight> (992)
308.3776

>  <Cat> (992)
P3440

>  <Name> (992)
WAY-606957

>  <Synonyms> (992)
N/A

>  <Target> (992)
GSK3

>  <Form> (992)
free base

>  <CAS> (992)
1062138-03-7

>  <URL> (992)
N/A

$$$$
WAY-606958
csChFnd80/06102009132D

 29 33  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8708    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    1.8333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0875    2.4958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0417   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6833    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 16  1  0  0  0  0
 21 11  1  0  0  0  0
 22 11  2  0  0  0  0
 23 20  1  0  0  0  0
 24 15  1  0  0  0  0
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 26 22  1  0  0  0  0
 27 21  2  0  0  0  0
 28 24  1  0  0  0  0
 29 26  2  0  0  0  0
  4  9  2  0  0  0  0
 10  8  2  0  0  0  0
 16 18  2  0  0  0  0
 29 27  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
>  <Mol_ID> (993)
994

>  <Formula> (993)
C23H23N5O

>  <MolWeight> (993)
385.46162

>  <Cat> (993)
P3441

>  <Name> (993)
WAY-606958

>  <Synonyms> (993)
N/A

>  <Target> (993)
Casein kinase 1¦Ä

>  <Form> (993)
free base

>  <CAS> (993)
882220-11-3

>  <URL> (993)
N/A

$$$$
WAY-297342
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.0961    1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1547    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4547    0.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7306    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0961   -0.8045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    0.0749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4857    2.9231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591    2.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1064    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074   -0.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0108   -1.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0281    0.0266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832   -0.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (994)
995

>  <Formula> (994)
C15H15N3O2S

>  <MolWeight> (994)
301.3635

>  <Cat> (994)
P3298

>  <Name> (994)
WAY-297342

>  <Synonyms> (994)
N/A

>  <Target> (994)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (994)
free base

>  <CAS> (994)
298207-49-5

>  <URL> (994)
N/A

$$$$
WAY-297629
csChFnd80/06102009132D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.3724    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0724    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0207   -0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5724    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5793    1.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (995)
996

>  <Formula> (995)
C21H18N2O3

>  <MolWeight> (995)
346.37922

>  <Cat> (995)
P3299

>  <Name> (995)
WAY-297629

>  <Synonyms> (995)
N/A

>  <Target> (995)
VEGFR2

>  <Form> (995)
free base

>  <CAS> (995)
371213-22-8

>  <URL> (995)
N/A

$$$$
GI-569525
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (996)
997

>  <Formula> (996)
C18H17NO4S

>  <MolWeight> (996)
343.39688

>  <Cat> (996)
P3260

>  <Name> (996)
GI-569525

>  <Synonyms> (996)
N/A

>  <Target> (996)
Anti-infection

>  <Form> (996)
free base

>  <CAS> (996)
96334-43-9

>  <URL> (996)
N/A

$$$$
WAY-298041
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7690   -2.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  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
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (997)
998

>  <Formula> (997)
C17H15N3O2

>  <MolWeight> (997)
293.3199

>  <Cat> (997)
P3300

>  <Name> (997)
WAY-298041

>  <Synonyms> (997)
N/A

>  <Target> (997)
c-Met

>  <Form> (997)
free base

>  <CAS> (997)
299405-67-7

>  <URL> (997)
N/A

$$$$
WAY-298350
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0735   -8.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5005   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6620   -7.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -3.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5890   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450   -9.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1695   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7420   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5640   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -5.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1450  -10.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -5.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400   -7.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  3  2  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15 12  2  0  0  0  0
 16  6  2  0  0  0  0
 17  9  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
  6  9  1  0  0  0  0
 20 21  2  0  0  0  0
 15 11  1  0  0  0  0
M  END
>  <Mol_ID> (998)
999

>  <Formula> (998)
C17H17NO3

>  <MolWeight> (998)
283.32178

>  <Cat> (998)
P3301

>  <Name> (998)
WAY-298350

>  <Synonyms> (998)
N/A

>  <Target> (998)
A kinase anchor protein/protein kinase A int

>  <Form> (998)
free base

>  <CAS> (998)
304888-67-3

>  <URL> (998)
N/A

$$$$
WAY-298516
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.0297    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6048   -1.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
  7  9  1  0  0  0  0
 12 15  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (999)
1000

>  <Formula> (999)
C14H13ClN2O3

>  <MolWeight> (999)
292.71762

>  <Cat> (999)
P3302

>  <Name> (999)
WAY-298516

>  <Synonyms> (999)
N/A

>  <Target> (999)
Androgen Receptor,RAD51,GSK-3

>  <Form> (999)
free base

>  <CAS> (999)
103056-35-5

>  <URL> (999)
N/A

$$$$
WAY-298668
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.9483   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5483    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9207    2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 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
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,000)
1001

>  <Formula> (1,000)
C22H23N5O3

>  <MolWeight> (1,000)
405.44972

>  <Cat> (1,000)
P3303

>  <Name> (1,000)
WAY-298668

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
Aurora-A,JAMM protease

>  <Form> (1,000)
free base

>  <CAS> (1,000)
371224-09-8

>  <URL> (1,000)
N/A

$$$$
WAY-607324
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.6042   -0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8542   -2.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
 14 16  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
 17 19  1  0  0  0  0
 18  9  1  0  0  0  0
 19 18  2  0  0  0  0
  3  5  1  0  0  0  0
 17 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1002

>  <Formula> (1,001)
C13H8N2O2S2

>  <MolWeight> (1,001)
288.34482

>  <Cat> (1,001)
P3442

>  <Name> (1,001)
WAY-607324

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
Mcl-1,ASK1

>  <Form> (1,001)
free base

>  <CAS> (1,001)
1427537-92-5

>  <URL> (1,001)
N/A

$$$$
WAY-607500
csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1750    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 10  1  0  0  0  0
 15 10  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 18  2  0  0  0  0
 23 22  1  0  0  0  0
  5  3  1  0  0  0  0
  8 12  1  0  0  0  0
 23 19  2  0  0  0  0
 11 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1003

>  <Formula> (1,002)
C19H18N2O2

>  <MolWeight> (1,002)
306.35842

>  <Cat> (1,002)
P3443

>  <Name> (1,002)
WAY-607500

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
VEGFR

>  <Form> (1,002)
free base

>  <CAS> (1,002)
186610-88-8

>  <URL> (1,002)
N/A

$$$$
WAY-607738
csChFnd80/06102009132D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   -0.0083   -3.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  2  0  0  0  0
  9 10  2  0  0  0  0
 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  7  2  0  0  0  0
 15 14  1  0  0  0  0
 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18 13  1  0  0  0  0
 19 22  1  0  0  0  0
 20  3  1  0  0  0  0
 21 13  2  0  0  0  0
 22 12  1  0  0  0  0
 23 11  2  0  0  0  0
 24 18  1  0  0  0  0
 25 21  1  0  0  0  0
 26 12  2  0  0  0  0
 27  1  1  0  0  0  0
 28  2  1  0  0  0  0
 29 14  1  0  0  0  0
 30 15  1  0  0  0  0
 31 29  2  0  0  0  0
 32 31  1  0  0  0  0
  6  5  1  0  0  0  0
  8  9  1  0  0  0  0
 32 30  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,003)
1004

>  <Formula> (1,003)
C22H18N4O6

>  <MolWeight> (1,003)
434.40152

>  <Cat> (1,003)
P3444

>  <Name> (1,003)
WAY-607738

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (1,003)
free base

>  <CAS> (1,003)
522624-94-8

>  <URL> (1,003)
N/A

$$$$
WAY-607777
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  2  0  0  0  0
  9  1  2  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 12  7  1  0  0  0  0
 13 20  2  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16 11  1  0  0  0  0
 17  5  1  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 19  1  0  0  0  0
 21 18  2  0  0  0  0
 22 11  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1005

>  <Formula> (1,004)
C16H12ClN3O2S2

>  <MolWeight> (1,004)
377.86838

>  <Cat> (1,004)
P3445

>  <Name> (1,004)
WAY-607777

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
Casein kinase 1d

>  <Form> (1,004)
free base

>  <CAS> (1,004)
522626-08-0

>  <URL> (1,004)
N/A

$$$$
WAY-619275
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.9167    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9167    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7000    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    0.9208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000    2.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2000   -1.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9417   -1.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,005)
1006

>  <Formula> (1,005)
C12H11N5O

>  <MolWeight> (1,005)
241.24864

>  <Cat> (1,005)
P3457

>  <Name> (1,005)
WAY-619275

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Plk1 kinase,EphB2

>  <Form> (1,005)
free base

>  <CAS> (1,005)
73663-97-5

>  <URL> (1,005)
N/A

$$$$
WAY-619999
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.4292    0.5750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7125   -0.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2833    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2125   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    0.9875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6958    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4333   -0.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  1  0  0  0  0
  8  6  1  0  0  0  0
  9  3  1  0  0  0  0
 10  8  2  0  0  0  0
 11 17  2  0  0  0  0
 12 11  1  0  0  0  0
 13  2  2  0  0  0  0
 14 24  1  0  0  0  0
 15  7  1  0  0  0  0
 16  9  2  0  0  0  0
 17 31  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  1  1  0  0  0  0
 23 27  1  0  0  0  0
 24 15  1  0  0  0  0
 25 11  1  0  0  0  0
 26  5  1  0  0  0  0
 27 21  2  0  0  0  0
 28 23  1  0  0  0  0
 29 20  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 30 26  1  0  0  0  0
  3  6  2  0  0  0  0
 10 16  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,006)
1007

>  <Formula> (1,006)
C22H19Cl2N3O4

>  <MolWeight> (1,006)
460.30996

>  <Cat> (1,006)
P3458

>  <Name> (1,006)
WAY-619999

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
CK2,GSK3¦Â

>  <Form> (1,006)
free base

>  <CAS> (1,006)
736932-33-5

>  <URL> (1,006)
N/A

$$$$
WAY-620099
csChFnd80/06102009132D

 20 23  0  0  0  0  0  0  0  0999 V2000
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   -2.5292   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  6  2  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  2  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
  9  8  2  0  0  0  0
  4  5  1  0  0  0  0
 20 19  1  0  0  0  0
 11 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,007)
1008

>  <Formula> (1,007)
C15H12ClN3S

>  <MolWeight> (1,007)
301.79388

>  <Cat> (1,007)
P3459

>  <Name> (1,007)
WAY-620099

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (1,007)
free base

>  <CAS> (1,007)
128277-24-7

>  <URL> (1,007)
N/A

$$$$
WAY-620147
csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.1537   -0.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1525   -0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6715   -1.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -0.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1893   -0.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    0.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6350    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,008)
1009

>  <Formula> (1,008)
C12H16BrN3O2

>  <MolWeight> (1,008)
314.17834

>  <Cat> (1,008)
P3460

>  <Name> (1,008)
WAY-620147

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
monoamine oxidase a

>  <Form> (1,008)
free base

>  <CAS> (1,008)
515866-67-8

>  <URL> (1,008)
N/A

$$$$
WAY-638641
csChFnd80/06102009132D

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 10 21  1  0  0  0  0
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 13 10  1  0  0  0  0
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 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
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 19  8  2  0  0  0  0
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 21 24  2  0  0  0  0
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 23 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,009)
1010

>  <Formula> (1,009)
C16H17N3O5S

>  <MolWeight> (1,009)
363.38828

>  <Cat> (1,009)
P3494

>  <Name> (1,009)
WAY-638641

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Aurora kinase A

>  <Form> (1,009)
free base

>  <CAS> (1,009)
796068-62-7

>  <URL> (1,009)
N/A

$$$$
WAY-638796
csChFnd80/06102009132D

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  8  9  2  0  0  0  0
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 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,010)
1011

>  <Formula> (1,010)
C14H10ClN3S

>  <MolWeight> (1,010)
287.7673

>  <Cat> (1,010)
P3495

>  <Name> (1,010)
WAY-638796

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
tyrosine kinase

>  <Form> (1,010)
free base

>  <CAS> (1,010)
796067-64-6

>  <URL> (1,010)
N/A

$$$$
WAY-639405
csChFnd80/06102009132D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 22 10  2  0  0  0  0
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 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
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  5  3  2  0  0  0  0
 27 18  2  0  0  0  0
 13 12  2  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,011)
1012

>  <Formula> (1,011)
C21H18N4O2S

>  <MolWeight> (1,011)
390.45822

>  <Cat> (1,011)
P3496

>  <Name> (1,011)
WAY-639405

>  <Synonyms> (1,011)
N/A

>  <Target> (1,011)
tyrosine kinase,phosphodiesterase V

>  <Form> (1,011)
free base

>  <CAS> (1,011)
796052-04-5

>  <URL> (1,011)
N/A

$$$$
WAY-658341
csChFnd80/06102009132D

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 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
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 13  2  1  0  0  0  0
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 15  9  2  0  0  0  0
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 28 25  1  0  0  0  0
  4  6  1  0  0  0  0
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 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,012)
1013

>  <Formula> (1,012)
C18H15BrN6O2S

>  <MolWeight> (1,012)
459.3197

>  <Cat> (1,012)
P3525

>  <Name> (1,012)
WAY-658341

>  <Synonyms> (1,012)
N/A

>  <Target> (1,012)
Casein kinase 1d

>  <Form> (1,012)
free base

>  <CAS> (1,012)
849012-74-4

>  <URL> (1,012)
N/A

$$$$
WAY-658513
csChFnd80/06102009132D

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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (1,013)
1014

>  <Formula> (1,013)
C16H11ClFN3OS

>  <MolWeight> (1,013)
347.7944432

>  <Cat> (1,013)
P3526

>  <Name> (1,013)
WAY-658513

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
ROCK, ERK, GSK, and AGC

>  <Form> (1,013)
free base

>  <CAS> (1,013)
692870-25-0

>  <URL> (1,013)
N/A

$$$$
WAY-326250
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
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 15 11  1  0  0  0  0
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 22 18  1  0  0  0  0
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 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,014)
1015

>  <Formula> (1,014)
C15H13N5OS

>  <MolWeight> (1,014)
311.36162

>  <Cat> (1,014)
P3351

>  <Name> (1,014)
WAY-326250

>  <Synonyms> (1,014)
N/A

>  <Target> (1,014)
shikimate kinase

>  <Form> (1,014)
free base

>  <CAS> (1,014)
869872-13-9

>  <URL> (1,014)
N/A

$$$$
WAY-326542
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,015)
1016

>  <Formula> (1,015)
C16H15NO3S

>  <MolWeight> (1,015)
301.3602

>  <Cat> (1,015)
P3352

>  <Name> (1,015)
WAY-326542

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
CDK5/p25

>  <Form> (1,015)
free base

>  <CAS> (1,015)
870983-04-3

>  <URL> (1,015)
N/A

$$$$
WAY-326578
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6415   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  1  0  0  0  0
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  8  4  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  6  2  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 21  1  0  0  0  0
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 20 16  1  0  0  0  0
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 22 18  1  0  0  0  0
  7  3  1  0  0  0  0
  6  9  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,016)
1017

>  <Formula> (1,016)
C16H16N2O3S

>  <MolWeight> (1,016)
316.37484

>  <Cat> (1,016)
P3353

>  <Name> (1,016)
WAY-326578

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
GSK-3b

>  <Form> (1,016)
free base

>  <CAS> (1,016)
870984-34-2

>  <URL> (1,016)
N/A

$$$$
WAY-326890
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 11  1  2  0  0  0  0
 12  8  2  0  0  0  0
 13  3  1  0  0  0  0
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 15  3  2  0  0  0  0
 16  3  2  0  0  0  0
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 25 20  1  0  0  0  0
 18  6  1  0  0  0  0
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 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,017)
1018

>  <Formula> (1,017)
C17H17N3O3S2

>  <MolWeight> (1,017)
375.46518

>  <Cat> (1,017)
P3354

>  <Name> (1,017)
WAY-326890

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
Others

>  <Form> (1,017)
free base

>  <CAS> (1,017)
685865-67-2

>  <URL> (1,017)
N/A

$$$$
WAY-326891
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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1019

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375.46518

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WAY-326891

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
kinase

>  <Form> (1,018)
free base

>  <CAS> (1,018)
685865-71-8

>  <URL> (1,018)
N/A

$$$$
WAY-326892
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,019)
1020

>  <Formula> (1,019)
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>  <MolWeight> (1,019)
375.46518

>  <Cat> (1,019)
P3356

>  <Name> (1,019)
WAY-326892

>  <Synonyms> (1,019)
N/A

>  <Target> (1,019)
kinase

>  <Form> (1,019)
free base

>  <CAS> (1,019)
685865-72-9

>  <URL> (1,019)
N/A

$$$$
WAY-326893
csChFnd80/06102009132D

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1021

>  <Formula> (1,020)
C17H17N3O3S2

>  <MolWeight> (1,020)
375.46518

>  <Cat> (1,020)
P3357

>  <Name> (1,020)
WAY-326893

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
Others

>  <Form> (1,020)
free base

>  <CAS> (1,020)
685865-73-0

>  <URL> (1,020)
N/A

$$$$
WAY-326894
csChFnd80/06102009132D

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>  <Formula> (1,021)
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>  <MolWeight> (1,021)
365.4024832

>  <Cat> (1,021)
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>  <Name> (1,021)
WAY-326894

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
kinase

>  <Form> (1,021)
free base

>  <CAS> (1,021)
685865-75-2

>  <URL> (1,021)
N/A

$$$$
WAY-327480
csChFnd80/06102009132D

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>  <Mol_ID> (1,022)
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>  <Formula> (1,022)
C22H19N3O3S2

>  <MolWeight> (1,022)
437.53456

>  <Cat> (1,022)
P3359

>  <Name> (1,022)
WAY-327480

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
ROS

>  <Form> (1,022)
free base

>  <CAS> (1,022)
687576-28-9

>  <URL> (1,022)
N/A

$$$$
WAY-328158
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,023)
1024

>  <Formula> (1,023)
C19H16FN3O3S

>  <MolWeight> (1,023)
385.4120432

>  <Cat> (1,023)
P3360

>  <Name> (1,023)
WAY-328158

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
BCR-ABL

>  <Form> (1,023)
free base

>  <CAS> (1,023)
688050-42-2

>  <URL> (1,023)
N/A

$$$$
WAY-621129
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,024)
1025

>  <Formula> (1,024)
C16H12O4

>  <MolWeight> (1,024)
268.26408

>  <Cat> (1,024)
P3461

>  <Name> (1,024)
WAY-621129

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (1,024)
free base

>  <CAS> (1,024)
6889-78-7

>  <URL> (1,024)
N/A

$$$$
WAY-621555
csChFnd80/06102009132D

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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
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 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,025)
1026

>  <Formula> (1,025)
C22H21N5

>  <MolWeight> (1,025)
355.43564

>  <Cat> (1,025)
P3462

>  <Name> (1,025)
WAY-621555

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
Casein kinase 1¦Ä

>  <Form> (1,025)
free base

>  <CAS> (1,025)
956753-89-2

>  <URL> (1,025)
N/A

$$$$
WAY-621640
csChFnd80/06102009132D

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 10  8  2  0  0  0  0
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 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
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 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
 18  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,026)
1027

>  <Formula> (1,026)
C17H15N3O2S

>  <MolWeight> (1,026)
325.3849

>  <Cat> (1,026)
P3463

>  <Name> (1,026)
WAY-621640

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Casein kinase 1¦Ä

>  <Form> (1,026)
free base

>  <CAS> (1,026)
742113-71-9

>  <URL> (1,026)
N/A

$$$$
WAY-621856
csChFnd80/06102009132D

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 10  6  2  0  0  0  0
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M  END
>  <Mol_ID> (1,027)
1028

>  <Formula> (1,027)
C16H9N5O3S

>  <MolWeight> (1,027)
351.33936

>  <Cat> (1,027)
P3464

>  <Name> (1,027)
WAY-621856

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
FGFR

>  <Form> (1,027)
free base

>  <CAS> (1,027)
606958-57-0

>  <URL> (1,027)
N/A

$$$$
WAY-639932
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,028)
1029

>  <Formula> (1,028)
C17H12N4S2

>  <MolWeight> (1,028)
336.43398

>  <Cat> (1,028)
P3497

>  <Name> (1,028)
WAY-639932

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
Casein kinase 1¦Ä

>  <Form> (1,028)
free base

>  <CAS> (1,028)
851467-69-1

>  <URL> (1,028)
N/A

$$$$
WAY-660114
csChFnd80/06102009132D

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 12  3  1  0  0  0  0
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 14 12  2  0  0  0  0
 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (1,029)
1030

>  <Formula> (1,029)
C14H9FN6S2

>  <MolWeight> (1,029)
344.3898632

>  <Cat> (1,029)
P3527

>  <Name> (1,029)
WAY-660114

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
kinase

>  <Form> (1,029)
free base

>  <CAS> (1,029)
871317-00-9

>  <URL> (1,029)
N/A

$$$$
WAY-660222
csChFnd80/06102009132D

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 13  9  1  0  0  0  0
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 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,030)
1031

>  <Formula> (1,030)
C19H13FO

>  <MolWeight> (1,030)
276.3043232

>  <Cat> (1,030)
P3528

>  <Name> (1,030)
WAY-660222

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
EGFR

>  <Form> (1,030)
free base

>  <CAS> (1,030)
867294-23-3

>  <URL> (1,030)
N/A

$$$$
WAY-660667
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 14  9  2  0  0  0  0
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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,031)
1032

>  <Formula> (1,031)
C17H17N5O3

>  <MolWeight> (1,031)
339.34858

>  <Cat> (1,031)
P3529

>  <Name> (1,031)
WAY-660667

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
ROS

>  <Form> (1,031)
free base

>  <CAS> (1,031)
871218-26-7

>  <URL> (1,031)
N/A

$$$$
WAY-661516
csChFnd80/06102009132D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,032)
1033

>  <Formula> (1,032)
C15H15ClFN3O5

>  <MolWeight> (1,032)
371.7481032

>  <Cat> (1,032)
P3530

>  <Name> (1,032)
WAY-661516

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
Aurora kinase A

>  <Form> (1,032)
free base

>  <CAS> (1,032)
875163-98-7

>  <URL> (1,032)
N/A

$$$$
CL-230482
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0418   -0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2306   -0.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2306   -0.6308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6694    0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  5  9  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,033)
1034

>  <Formula> (1,033)
C15H12N2O

>  <MolWeight> (1,033)
236.26858

>  <Cat> (1,033)
P3255

>  <Name> (1,033)
CL-230482

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
PDGFR

>  <Form> (1,033)
free base

>  <CAS> (1,033)
909859-35-4

>  <URL> (1,033)
N/A

$$$$
WYE-163716-A
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.2542   -0.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5783   -0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990   -0.0273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4921    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7542    1.4624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0596   -1.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9286   -0.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
 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  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7  8  2  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1035

>  <Formula> (1,034)
C15H14N4O2S2

>  <MolWeight> (1,034)
346.42726

>  <Cat> (1,034)
P3533

>  <Name> (1,034)
WYE-163716-A

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (1,034)
free base

>  <CAS> (1,034)
92902-64-2

>  <URL> (1,034)
N/A

$$$$
WYE-175765
csChFnd80/06102009132D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -0.4583    0.2625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -0.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2583    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    3.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000    1.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8875   -2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708   -3.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4583   -3.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  2  0  0  0  0
  8  1  2  0  0  0  0
  9  2  2  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  2  0  0  0  0
 13  5  1  0  0  0  0
 14  6  1  0  0  0  0
 15 20  2  0  0  0  0
 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 13  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
  9 12  1  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,035)
1036

>  <Formula> (1,035)
C14H13NO6S

>  <MolWeight> (1,035)
323.32112

>  <Cat> (1,035)
P3534

>  <Name> (1,035)
WYE-175765

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
JAK3,YopH,antibacterial

>  <Form> (1,035)
free base

>  <CAS> (1,035)
956236-35-4

>  <URL> (1,035)
N/A

$$$$
WYE-175829
csChFnd80/06102009132D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.3792   -0.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -0.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0333    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2375   -0.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8083    1.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5208    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7667    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 14 12  2  0  0  0  0
 15  8  1  0  0  0  0
 16  9  2  0  0  0  0
 17 11  1  0  0  0  0
 18 13  2  0  0  0  0
 19 15  2  0  0  0  0
 16 14  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,036)
1037

>  <Formula> (1,036)
C13H14N2O3S

>  <MolWeight> (1,036)
278.32686

>  <Cat> (1,036)
P3535

>  <Name> (1,036)
WYE-175829

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (1,036)
free base

>  <CAS> (1,036)
327093-01-6

>  <URL> (1,036)
N/A

$$$$
WYE-175837
csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1349   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1452    0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755   -1.4034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1452    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651    2.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1556    3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 10  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,037)
1038

>  <Formula> (1,037)
C14H14N2O2

>  <MolWeight> (1,037)
242.27316

>  <Cat> (1,037)
P3536

>  <Name> (1,037)
WYE-175837

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (1,037)
free base

>  <CAS> (1,037)
891-35-0

>  <URL> (1,037)
N/A

$$$$
WYE-175840
csChFnd80/06102009132D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.2375    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333    0.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042    1.7708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8000    2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5583   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,038)
1039

>  <Formula> (1,038)
C17H19N5O3S

>  <MolWeight> (1,038)
373.42946

>  <Cat> (1,038)
P3537

>  <Name> (1,038)
WYE-175840

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Glutamate Racemase,protein kinase-activated 

>  <Form> (1,038)
free base

>  <CAS> (1,038)
380432-29-1

>  <URL> (1,038)
N/A

$$$$
WYE-176092
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,039)
1040

>  <Formula> (1,039)
C12H14N2O2S2

>  <MolWeight> (1,039)
282.38176

>  <Cat> (1,039)
P3538

>  <Name> (1,039)
WYE-176092

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Anti-infection

>  <Form> (1,039)
free base

>  <CAS> (1,039)
121746-06-3

>  <URL> (1,039)
N/A

$$$$
WAY-333491
csChFnd80/06102009132D

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 15  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,040)
1041

>  <Formula> (1,040)
C18H19N5OS

>  <MolWeight> (1,040)
353.44136

>  <Cat> (1,040)
P3379

>  <Name> (1,040)
WAY-333491

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
LRRK2

>  <Form> (1,040)
free base

>  <CAS> (1,040)
852375-30-5

>  <URL> (1,040)
N/A

$$$$
WAY-333434
csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
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 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,041)
1042

>  <Formula> (1,041)
C19H20FN5OS

>  <MolWeight> (1,041)
385.4584032

>  <Cat> (1,041)
P3378

>  <Name> (1,041)
WAY-333434

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Others

>  <Form> (1,041)
free base

>  <CAS> (1,041)
721964-45-0

>  <URL> (1,041)
N/A

$$$$
WAY-662864
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 12  8  1  0  0  0  0
 13 20  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,042)
1043

>  <Formula> (1,042)
C15H22N4O5S

>  <MolWeight> (1,042)
370.42398

>  <Cat> (1,042)
P3531

>  <Name> (1,042)
WAY-662864

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
UMPK

>  <Form> (1,042)
free base

>  <CAS> (1,042)
1621866-83-8

>  <URL> (1,042)
N/A

$$$$
WAY-278752
csChFnd80/06102009132D

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WAY-329594
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free base

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956910-37-5

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N/A

$$$$
WAY-329599
csChFnd80/06102009132D

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others

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free base

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956910-38-6

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N/A

$$$$
WAY-329603
csChFnd80/06102009132D

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others

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free base

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956910-39-7

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N/A

$$$$
WAY-329598
csChFnd80/06102009132D

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others

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free base

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956910-48-8

>  <URL> (1,047)
N/A

$$$$
WAY-329607
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,048)
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>  <Formula> (1,048)
C14H9ClFN3O3S2

>  <MolWeight> (1,048)
385.8209632

>  <Cat> (1,048)
P3373

>  <Name> (1,048)
WAY-329607

>  <Synonyms> (1,048)
N/A

>  <Target> (1,048)
others

>  <Form> (1,048)
free base

>  <CAS> (1,048)
956920-91-5

>  <URL> (1,048)
N/A

$$$$
WAY-278535
csChFnd80/06102009132D

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>  <Mol_ID> (1,049)
1050

>  <Formula> (1,049)
C10H6ClNO2S

>  <MolWeight> (1,049)
239.67814

>  <Cat> (1,049)
P3293

>  <Name> (1,049)
WAY-278535

>  <Synonyms> (1,049)
N/A

>  <Target> (1,049)
Pim-1,Pim-2,PPAR

>  <Form> (1,049)
free base

>  <CAS> (1,049)
24138-83-8

>  <URL> (1,049)
N/A

$$$$
WAY-278534
csChFnd80/06102009132D

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>  <Mol_ID> (1,050)
1051

>  <Formula> (1,050)
C11H9NO3S

>  <MolWeight> (1,050)
235.25906

>  <Cat> (1,050)
P3292

>  <Name> (1,050)
WAY-278534

>  <Synonyms> (1,050)
N/A

>  <Target> (1,050)
Pim-1,Pim-2

>  <Form> (1,050)
free base

>  <CAS> (1,050)
6320-51-0

>  <URL> (1,050)
N/A

$$$$
WAY-299369
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,051)
1052

>  <Formula> (1,051)
C15H15ClN2O3

>  <MolWeight> (1,051)
306.7442

>  <Cat> (1,051)
P3304

>  <Name> (1,051)
WAY-299369

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (1,051)
free base

>  <CAS> (1,051)
1005078-45-4

>  <URL> (1,051)
N/A

$$$$
WAY-382818
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,052)
1053

>  <Formula> (1,052)
C24H20N4O5

>  <MolWeight> (1,052)
444.4394

>  <Cat> (1,052)
P3418

>  <Name> (1,052)
WAY-382818

>  <Synonyms> (1,052)
N/A

>  <Target> (1,052)
mitogen-activated protein kinase phosphatase

>  <Form> (1,052)
free base

>  <CAS> (1,052)
1022922-35-5

>  <URL> (1,052)
N/A

$$$$
WAY-383270
csChFnd80/06102009132D

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1054

>  <Formula> (1,053)
C23H24FN3O2S

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425.5189632

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P3419

>  <Name> (1,053)
WAY-383270

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
Casein kinase 1¦Ä

>  <Form> (1,053)
free base

>  <CAS> (1,053)
1024284-84-1

>  <URL> (1,053)
N/A

$$$$
GI-566508
csChFnd80/06102009132D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,054)
1055

>  <Formula> (1,054)
C17H17N3S

>  <MolWeight> (1,054)
295.40198

>  <Cat> (1,054)
P3259

>  <Name> (1,054)
GI-566508

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
EGFR 

>  <Form> (1,054)
free base

>  <CAS> (1,054)
1164458-14-3

>  <URL> (1,054)
N/A

$$$$
WAY-107407
csChFnd80/06102009132D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (1,055)
1056

>  <Formula> (1,055)
C15H12N2O3

>  <MolWeight> (1,055)
268.26738

>  <Cat> (1,055)
P3262

>  <Name> (1,055)
WAY-107407

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
PI3K

>  <Form> (1,055)
free base

>  <CAS> (1,055)
1164469-67-3

>  <URL> (1,055)
N/A

$$$$
WAY-114506
csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
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 13  4  1  0  0  0  0
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 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
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 18 14  1  0  0  0  0
  6  3  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,056)
1057

>  <Formula> (1,056)
C10H18N4O4

>  <MolWeight> (1,056)
258.27432

>  <Cat> (1,056)
P3265

>  <Name> (1,056)
WAY-114506

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
amyloid beta

>  <Form> (1,056)
free base

>  <CAS> (1,056)
1164500-43-9

>  <URL> (1,056)
N/A

$$$$
WAY-221060-A
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
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 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,057)
1058

>  <Formula> (1,057)
C17H25NO

>  <MolWeight> (1,057)
259.3865

>  <Cat> (1,057)
P3266

>  <Name> (1,057)
WAY-221060-A

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (1,057)
free base

>  <CAS> (1,057)
1351406-38-6

>  <URL> (1,057)
N/A

$$$$
WAY-240932
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
  7 13  2  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,058)
1059

>  <Formula> (1,058)
C15H11BrN2O2S

>  <MolWeight> (1,058)
363.22904

>  <Cat> (1,058)
P3269

>  <Name> (1,058)
WAY-240932

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
serine/threonine kinase

>  <Form> (1,058)
free base

>  <CAS> (1,058)
326914-66-3

>  <URL> (1,058)
N/A

$$$$
WAY-299590
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
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  9 13  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  0  0  0  0
 16 14  1  0  0  0  0
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 18 10  2  0  0  0  0
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 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,059)
1060

>  <Formula> (1,059)
C19H20FNO

>  <MolWeight> (1,059)
297.3666032

>  <Cat> (1,059)
P3305

>  <Name> (1,059)
WAY-299590

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
InhA,p38a

>  <Form> (1,059)
free base

>  <CAS> (1,059)
260428-61-3

>  <URL> (1,059)
N/A

$$$$
WAY-300062
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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 15 18  1  0  0  0  0
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 21 23  2  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,060)
1061

>  <Formula> (1,060)
C16H16N4O2S

>  <MolWeight> (1,060)
328.38884

>  <Cat> (1,060)
P3307

>  <Name> (1,060)
WAY-300062

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
Anti-infection

>  <Form> (1,060)
free base

>  <CAS> (1,060)
330990-68-6

>  <URL> (1,060)
N/A

$$$$
WAY-299721
csChFnd80/06102009132D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 20 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
  5  9  2  0  0  0  0
 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,061)
1062

>  <Formula> (1,061)
C18H15ClF3N5OS

>  <MolWeight> (1,061)
441.8578096

>  <Cat> (1,061)
P3306

>  <Name> (1,061)
WAY-299721

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
SYK kinase

>  <Form> (1,061)
free base

>  <CAS> (1,061)
338427-78-4

>  <URL> (1,061)
N/A

$$$$
WAY-300385
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,062)
1063

>  <Formula> (1,062)
C13H15N3O2S2

>  <MolWeight> (1,062)
309.4071

>  <Cat> (1,062)
P3308

>  <Name> (1,062)
WAY-300385

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
Anti-infection

>  <Form> (1,062)
free base

>  <CAS> (1,062)
500188-71-6

>  <URL> (1,062)
N/A

$$$$
WAY-300442
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12 15  1  0  0  0  0
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 13 17  1  0  0  0  0
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 23 25  1  0  0  0  0
  7  8  2  0  0  0  0
 10 13  1  0  0  0  0
 18 22  1  0  0  0  0
 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (1,063)
1064

>  <Formula> (1,063)
C18H11BrN2O4

>  <MolWeight> (1,063)
399.19494

>  <Cat> (1,063)
P3309

>  <Name> (1,063)
WAY-300442

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
ATP-kinase

>  <Form> (1,063)
free base

>  <CAS> (1,063)
333773-08-3

>  <URL> (1,063)
N/A

$$$$
WAY-384934
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,064)
1065

>  <Formula> (1,064)
C24H22N4O2

>  <MolWeight> (1,064)
398.45708

>  <Cat> (1,064)
P3420

>  <Name> (1,064)
WAY-384934

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
pyruvate kinase

>  <Form> (1,064)
free base

>  <CAS> (1,064)
498568-75-5

>  <URL> (1,064)
N/A

$$$$
WAY-388796
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,065)
1066

>  <Formula> (1,065)
C11H11ClN2S

>  <MolWeight> (1,065)
238.73644

>  <Cat> (1,065)
P3421

>  <Name> (1,065)
WAY-388796

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (1,065)
free base

>  <CAS> (1,065)
40106-58-9

>  <URL> (1,065)
N/A

$$$$
WAY-388798
csChFnd80/06102009132D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    4.1000   -1.0379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,066)
1067

>  <Formula> (1,066)
C7H5ClN2OS

>  <MolWeight> (1,066)
200.6454

>  <Cat> (1,066)
P3422

>  <Name> (1,066)
WAY-388798

>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (1,066)
free base

>  <CAS> (1,066)
63417-81-2

>  <URL> (1,066)
N/A

$$$$
WAY-346940
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,067)
1068

>  <Formula> (1,067)
C15H11ClN4O2S

>  <MolWeight> (1,067)
346.79144

>  <Cat> (1,067)
P3391

>  <Name> (1,067)
WAY-346940

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
Rho

>  <Form> (1,067)
free base

>  <CAS> (1,067)
392246-66-1

>  <URL> (1,067)
N/A

$$$$
WAY-347243
csChFnd80/06102009132D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,068)
1069

>  <Formula> (1,068)
C11H13N3S

>  <MolWeight> (1,068)
219.30602

>  <Cat> (1,068)
P3392

>  <Name> (1,068)
WAY-347243

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
Anti-infection

>  <Form> (1,068)
free base

>  <CAS> (1,068)
422298-69-9

>  <URL> (1,068)
N/A

$$$$
WAY-347626
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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 15  4  1  0  0  0  0
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 22  7  1  0  0  0  0
 23 13  1  0  0  0  0
  5  2  1  0  0  0  0
  7 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,069)
1070

>  <Formula> (1,069)
C17H15N3O3

>  <MolWeight> (1,069)
309.3193

>  <Cat> (1,069)
P3393

>  <Name> (1,069)
WAY-347626

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
CDK2

>  <Form> (1,069)
free base

>  <CAS> (1,069)
756843-31-9

>  <URL> (1,069)
N/A

$$$$
WAY-347806
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,070)
1071

>  <Formula> (1,070)
C17H13FN2O4S

>  <MolWeight> (1,070)
360.3595232

>  <Cat> (1,070)
P3394

>  <Name> (1,070)
WAY-347806

>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
CK2,GSK3¦Â

>  <Form> (1,070)
free base

>  <CAS> (1,070)
757198-76-8

>  <URL> (1,070)
N/A

$$$$
WAY-348144
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,071)
1072

>  <Formula> (1,071)
C17H14N4O2S

>  <MolWeight> (1,071)
338.38366

>  <Cat> (1,071)
P3395

>  <Name> (1,071)
WAY-348144

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
Casein kinase 1¦Ä

>  <Form> (1,071)
free base

>  <CAS> (1,071)
764694-25-9

>  <URL> (1,071)
N/A

$$$$
WAY-349807
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,072)
1073

>  <Formula> (1,072)
C28H26ClN3O3

>  <MolWeight> (1,072)
487.97734

>  <Cat> (1,072)
P3397

>  <Name> (1,072)
WAY-349807

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
Pim-1

>  <Form> (1,072)
free base

>  <CAS> (1,072)
544662-95-5

>  <URL> (1,072)
N/A

$$$$
WAY-349858
csChFnd80/06102009132D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,073)
1074

>  <Formula> (1,073)
C15H16N2O4S

>  <MolWeight> (1,073)
320.36354

>  <Cat> (1,073)
P3398

>  <Name> (1,073)
WAY-349858

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
c-Jun N-terminal kinase

>  <Form> (1,073)
free base

>  <CAS> (1,073)
771503-50-5

>  <URL> (1,073)
N/A

$$$$
WAY-350732
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,074)
1075

>  <Formula> (1,074)
C13H11BrN2O2S

>  <MolWeight> (1,074)
339.20764

>  <Cat> (1,074)
P3399

>  <Name> (1,074)
WAY-350732

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
c-Jun N-terminal kinase

>  <Form> (1,074)
free base

>  <CAS> (1,074)
438602-71-2

>  <URL> (1,074)
N/A

$$$$
WAY-351429
csChFnd80/06102009132D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,075)
1076

>  <Formula> (1,075)
C21H23N3O4

>  <MolWeight> (1,075)
381.42502

>  <Cat> (1,075)
P3400

>  <Name> (1,075)
WAY-351429

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
choline kinase

>  <Form> (1,075)
free base

>  <CAS> (1,075)
451474-95-6

>  <URL> (1,075)
N/A

$$$$
WAY-351783
csChFnd80/06102009132D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
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 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,076)
1077

>  <Formula> (1,076)
C21H21ClN4O3S

>  <MolWeight> (1,076)
444.93444

>  <Cat> (1,076)
P3401

>  <Name> (1,076)
WAY-351783

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
creatin kinase

>  <Form> (1,076)
free base

>  <CAS> (1,076)
460994-47-2

>  <URL> (1,076)
N/A

$$$$
WAY-351812
csChFnd80/06102009132D

 25 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,077)
1078

>  <Formula> (1,077)
C15H14F3N3O3S

>  <MolWeight> (1,077)
373.3501696

>  <Cat> (1,077)
P3402

>  <Name> (1,077)
WAY-351812

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
CDK8

>  <Form> (1,077)
free base

>  <CAS> (1,077)
471289-61-9

>  <URL> (1,077)
N/A

$$$$
WAY-352098
csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,078)
1079

>  <Formula> (1,078)
C17H12F3N5O2S

>  <MolWeight> (1,078)
407.3696896

>  <Cat> (1,078)
P3403

>  <Name> (1,078)
WAY-352098

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
PDK1,CRTH2

>  <Form> (1,078)
free base

>  <CAS> (1,078)
482643-39-0

>  <URL> (1,078)
N/A

$$$$
WAY-352753
csChFnd80/06102009132D

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M  END
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N/A

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GSK-3

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free base

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478482-74-5

>  <URL> (1,079)
N/A

$$$$
WAY-353591
csChFnd80/06102009132D

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M  END
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C16H12FN3S

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>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
Casein kinase 1d

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free base

>  <CAS> (1,080)
454427-09-9

>  <URL> (1,080)
N/A

$$$$
WAY-353890
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,081)
1082

>  <Formula> (1,081)
C17H13FN4O

>  <MolWeight> (1,081)
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>  <Cat> (1,081)
P3407

>  <Name> (1,081)
WAY-353890

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
FGFR1

>  <Form> (1,081)
free base

>  <CAS> (1,081)
459137-97-4

>  <URL> (1,081)
N/A

$$$$
WAY-354189
csChFnd80/06102009132D

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>  <Mol_ID> (1,082)
1083

>  <Formula> (1,082)
C15H12Cl2N2O4S

>  <MolWeight> (1,082)
387.23778

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P3408

>  <Name> (1,082)
WAY-354189

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
JAK-STAT

>  <Form> (1,082)
free base

>  <CAS> (1,082)
850019-35-1

>  <URL> (1,082)
N/A

$$$$
GI-570261
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,083)
1084

>  <Formula> (1,083)
C22H19N5O3S

>  <MolWeight> (1,083)
433.48296

>  <Cat> (1,083)
P3261

>  <Name> (1,083)
GI-570261

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,083)
free base

>  <CAS> (1,083)
301357-76-6

>  <URL> (1,083)
N/A

$$$$
WAY-352835
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,084)
1085

>  <Formula> (1,084)
C16H15N3OS

>  <MolWeight> (1,084)
297.3748

>  <Cat> (1,084)
P3405

>  <Name> (1,084)
WAY-352835

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
tyrosine kinase

>  <Form> (1,084)
free base

>  <CAS> (1,084)
401638-52-6

>  <URL> (1,084)
N/A

$$$$
WAY-354831
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 12 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,085)
1086

>  <Formula> (1,085)
C15H10FN3O3

>  <MolWeight> (1,085)
299.2566032

>  <Cat> (1,085)
P3409

>  <Name> (1,085)
WAY-354831

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
c-Met 

>  <Form> (1,085)
free base

>  <CAS> (1,085)
330572-32-2

>  <URL> (1,085)
N/A

$$$$
WAY-354890
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
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 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
  4  5  2  0  0  0  0
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 21 22  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,086)
1087

>  <Formula> (1,086)
C17H16FN3S

>  <MolWeight> (1,086)
313.3924432

>  <Cat> (1,086)
P3410

>  <Name> (1,086)
WAY-354890

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
EGFR 

>  <Form> (1,086)
free base

>  <CAS> (1,086)
852407-49-9

>  <URL> (1,086)
N/A

$$$$
WAY-355772
csChFnd80/06102009132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  7 12  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12 19  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
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 20  3  2  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
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 25 23  1  0  0  0  0
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 27 20  1  0  0  0  0
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 29 14  2  0  0  0  0
  4  5  2  0  0  0  0
 14 28  1  0  0  0  0
 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (1,087)
1088

>  <Formula> (1,087)
C19H13F3N2O4S

>  <MolWeight> (1,087)
422.3777296

>  <Cat> (1,087)
P3411

>  <Name> (1,087)
WAY-355772

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
serine/threonine kinase

>  <Form> (1,087)
free base

>  <CAS> (1,087)
442658-33-5

>  <URL> (1,087)
N/A

$$$$
WAY-357919
csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
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 23 22  1  0  0  0  0
  6  4  1  0  0  0  0
  7 10  2  0  0  0  0
 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,088)
1089

>  <Formula> (1,088)
C18H16N2O2S

>  <MolWeight> (1,088)
324.39684

>  <Cat> (1,088)
P3412

>  <Name> (1,088)
WAY-357919

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
VEGFR

>  <Form> (1,088)
free base

>  <CAS> (1,088)
298207-77-9

>  <URL> (1,088)
N/A

$$$$
WAY-358024
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,089)
1090

>  <Formula> (1,089)
C15H11N3O3

>  <MolWeight> (1,089)
281.26614

>  <Cat> (1,089)
P3413

>  <Name> (1,089)
WAY-358024

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
GSK-3b

>  <Form> (1,089)
free base

>  <CAS> (1,089)
70169-39-0

>  <URL> (1,089)
N/A

$$$$
WAY-358667-A
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,090)
1091

>  <Formula> (1,090)
C12H8N2S2

>  <MolWeight> (1,090)
244.33532

>  <Cat> (1,090)
P3414

>  <Name> (1,090)
WAY-358667-A

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
Human protein kinase CK2

>  <Form> (1,090)
free base

>  <CAS> (1,090)
182198-89-6

>  <URL> (1,090)
N/A

$$$$
WAY-358981
csChFnd80/06102009132D

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 11  6  1  0  0  0  0
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 16  9  1  0  0  0  0
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  3  5  2  0  0  0  0
 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,091)
1092

>  <Formula> (1,091)
C14H12N4O

>  <MolWeight> (1,091)
252.27128

>  <Cat> (1,091)
P3415

>  <Name> (1,091)
WAY-358981

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
sphingosine kinase

>  <Form> (1,091)
free base

>  <CAS> (1,091)
307322-32-3

>  <URL> (1,091)
N/A

$$$$
WAY-359594
csChFnd80/06102009132D

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 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
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 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
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 26 24  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,092)
1093

>  <Formula> (1,092)
C23H21N3O2

>  <MolWeight> (1,092)
371.43174

>  <Cat> (1,092)
P3416

>  <Name> (1,092)
WAY-359594

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
G protein coupled receptor 6 kinase

>  <Form> (1,092)
free base

>  <CAS> (1,092)
33495-39-5

>  <URL> (1,092)
N/A

$$$$
WAY-381785
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 10  9  2  0  0  0  0
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,093)
1094

>  <Formula> (1,093)
C20H23N3O

>  <MolWeight> (1,093)
321.41612

>  <Cat> (1,093)
P3417

>  <Name> (1,093)
WAY-381785

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
GSK3

>  <Form> (1,093)
free base

>  <CAS> (1,093)
511239-29-5

>  <URL> (1,093)
N/A

$$$$
WAY-313201
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,094)
1095

>  <Formula> (1,094)
C12H12N2O3S

>  <MolWeight> (1,094)
264.30028

>  <Cat> (1,094)
P3320

>  <Name> (1,094)
WAY-313201

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
 GSK-3b

>  <Form> (1,094)
free base

>  <CAS> (1,094)
571904-77-3

>  <URL> (1,094)
N/A

$$$$
WAY-311972
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,095)
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WAY-311972

>  <Synonyms> (1,095)
N/A

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ATP-kinases

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free base

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606948-76-9

>  <URL> (1,095)
N/A

$$$$
WAY-113178
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,096)
1097

>  <Formula> (1,096)
C21H17N3O3S

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P3263

>  <Name> (1,096)
WAY-113178

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
IkB kinase-beta 

>  <Form> (1,096)
free base

>  <CAS> (1,096)
638999-98-1

>  <URL> (1,096)
N/A

$$$$
WAY-225588
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,097)
1098

>  <Formula> (1,097)
C17H15N3O

>  <MolWeight> (1,097)
277.3205

>  <Cat> (1,097)
P3267

>  <Name> (1,097)
WAY-225588

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
GRK6

>  <Form> (1,097)
free base

>  <CAS> (1,097)
6765-52-2

>  <URL> (1,097)
N/A

$$$$
WAY-312602
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,098)
1099

>  <Formula> (1,098)
C17H17N5O3

>  <MolWeight> (1,098)
339.34858

>  <Cat> (1,098)
P3318

>  <Name> (1,098)
WAY-312602

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
maternal embryonic leucine zipper kinase

>  <Form> (1,098)
free base

>  <CAS> (1,098)
681266-13-7

>  <URL> (1,098)
N/A

$$$$
WAY-344977
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
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 14  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,099)
1100

>  <Formula> (1,099)
C17H17ClN4O2S

>  <MolWeight> (1,099)
376.86048

>  <Cat> (1,099)
P3389

>  <Name> (1,099)
WAY-344977

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
GSK-3

>  <Form> (1,099)
free base

>  <CAS> (1,099)
686743-57-7

>  <URL> (1,099)
N/A

$$$$
WAY-310507
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,100)
1101

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262.2877

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>  <Name> (1,100)
WAY-310507

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Anti-infection

>  <Form> (1,100)
free base

>  <CAS> (1,100)
686743-93-1

>  <URL> (1,100)
N/A

$$$$
WAY-310944
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,101)
1102

>  <Formula> (1,101)
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>  <MolWeight> (1,101)
266.3393

>  <Cat> (1,101)
P3313

>  <Name> (1,101)
WAY-310944

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Anti-infection

>  <Form> (1,101)
free base

>  <CAS> (1,101)
688335-53-7

>  <URL> (1,101)
N/A

$$$$
WAY-310334
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,102)
1103

>  <Formula> (1,102)
C14H16N2O2S2

>  <MolWeight> (1,102)
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>  <Cat> (1,102)
P3310

>  <Name> (1,102)
WAY-310334

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
mPGES-1,human protein kinase CK2

>  <Form> (1,102)
free base

>  <CAS> (1,102)
688335-72-0

>  <URL> (1,102)
N/A

$$$$
WAY-310819
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,103)
1104

>  <Formula> (1,103)
C15H14BrN5O3S

>  <MolWeight> (1,103)
424.27236

>  <Cat> (1,103)
P3312

>  <Name> (1,103)
WAY-310819

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
B-Raf

>  <Form> (1,103)
free base

>  <CAS> (1,103)
326918-98-3

>  <URL> (1,103)
N/A

$$$$
CL-59089
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,104)
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>  <Formula> (1,104)
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>  <MolWeight> (1,104)
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>  <Cat> (1,104)
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>  <Name> (1,104)
CL-59089

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
sirtuin,Rho,CDK

>  <Form> (1,104)
free base

>  <CAS> (1,104)
3008-61-5

>  <URL> (1,104)
N/A

$$$$
WAY-616312
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,105)
1106

>  <Formula> (1,105)
C18H16Cl2N4O4

>  <MolWeight> (1,105)
423.25004

>  <Cat> (1,105)
P3454

>  <Name> (1,105)
WAY-616312

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
sirtuin,Rho,CDK

>  <Form> (1,105)
free base

>  <CAS> (1,105)
730946-98-2

>  <URL> (1,105)
N/A

$$$$
WAY-624687
csChFnd80/06102009132D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 20 12  2  0  0  0  0
  5  6  1  0  0  0  0
 11  7  1  0  0  0  0
 15 17  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1107

>  <Formula> (1,106)
C13H9N5S2

>  <MolWeight> (1,106)
299.37406

>  <Cat> (1,106)
P3465

>  <Name> (1,106)
WAY-624687

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
GSK3

>  <Form> (1,106)
free base

>  <CAS> (1,106)
753473-65-3

>  <URL> (1,106)
N/A

$$$$
WAY-330162
csChFnd80/06102009132D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  1  0  0  0  0
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 15  2  2  0  0  0  0
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 18  6  2  0  0  0  0
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 30 25  1  0  0  0  0
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 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,107)
1108

>  <Formula> (1,107)
C22H26N2O5S

>  <MolWeight> (1,107)
430.51724

>  <Cat> (1,107)
P3377

>  <Name> (1,107)
WAY-330162

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
Kinase

>  <Form> (1,107)
free base

>  <CAS> (1,107)
868963-46-6

>  <URL> (1,107)
N/A

$$$$
WAY-333883
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
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  8  4  2  0  0  0  0
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
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 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
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 21 12  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
  7  9  2  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,108)
1109

>  <Formula> (1,108)
C16H16Cl2N4O

>  <MolWeight> (1,108)
351.23044

>  <Cat> (1,108)
P3382

>  <Name> (1,108)
WAY-333883

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
pyruvate kinase

>  <Form> (1,108)
free base

>  <CAS> (1,108)
863448-35-5

>  <URL> (1,108)
N/A

$$$$
WAY-333875
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 22  1  0  0  0  0
 19 12  1  0  0  0  0
 20 12  1  0  0  0  0
 21 12  1  0  0  0  0
 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
  7 10  2  0  0  0  0
  6  5  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,109)
1110

>  <Formula> (1,109)
C16H16ClFN4O

>  <MolWeight> (1,109)
334.7758432

>  <Cat> (1,109)
P3380

>  <Name> (1,109)
WAY-333875

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
pyruvate kinase

>  <Form> (1,109)
free base

>  <CAS> (1,109)
863448-22-0

>  <URL> (1,109)
N/A

$$$$
WAY-333878
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,110)
1111

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>  <MolWeight> (1,110)
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>  <Name> (1,110)
WAY-333878

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
pyruvate kinase

>  <Form> (1,110)
free base

>  <CAS> (1,110)
863448-25-3

>  <URL> (1,110)
N/A

$$$$
WAY-329412
csChFnd80/06102009132D

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>  <Mol_ID> (1,111)
1112

>  <Formula> (1,111)
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>  <MolWeight> (1,111)
439.5057

>  <Cat> (1,111)
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>  <Name> (1,111)
WAY-329412

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
Abl

>  <Form> (1,111)
free base

>  <CAS> (1,111)
943932-69-2

>  <URL> (1,111)
N/A

$$$$
WAY-329689
csChFnd80/06102009132D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,112)
1113

>  <Formula> (1,112)
C29H29N3O4

>  <MolWeight> (1,112)
483.55826

>  <Cat> (1,112)
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>  <Name> (1,112)
WAY-329689

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
Abl

>  <Form> (1,112)
free base

>  <CAS> (1,112)
943934-76-7

>  <URL> (1,112)
N/A

$$$$
WAY-329424
csChFnd80/06102009132D

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>  <Mol_ID> (1,113)
1114

>  <Formula> (1,113)
C24H27N3O3

>  <MolWeight> (1,113)
405.48948

>  <Cat> (1,113)
P3367

>  <Name> (1,113)
WAY-329424

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Abl

>  <Form> (1,113)
free base

>  <CAS> (1,113)
943933-52-6

>  <URL> (1,113)
N/A

$$$$
WAY-329686
csChFnd80/06102009132D

 31 34  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-329410
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Abl

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free base

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943932-62-5

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N/A

$$$$
WAY-329685
csChFnd80/06102009132D

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>  <Synonyms> (1,116)
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Abl

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free base

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943934-25-6

>  <URL> (1,116)
N/A

$$$$
WAY-329423
csChFnd80/06102009132D

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>  <Synonyms> (1,117)
N/A

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free base

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943933-49-1

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N/A

$$$$
WAY-329356
csChFnd80/06102009132D

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N/A

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WAY-329341
csChFnd80/06102009132D

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Abl

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free base

>  <CAS> (1,119)
943931-29-1

>  <URL> (1,119)
N/A

$$$$
WAY-329340
csChFnd80/06102009132D

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Abl

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free base

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943931-23-5

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N/A

$$$$
WAY-641918
csChFnd80/06102009132D

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TAO kinase

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850467-77-5

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N/A

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WAY-278459-A
csChFnd80/06102009132D

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1123

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C11H12N2OS

>  <MolWeight> (1,122)
220.29078

>  <Cat> (1,122)
P3291

>  <Name> (1,122)
WAY-278459-A

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (1,122)
free base

>  <CAS> (1,122)
105512-88-7

>  <URL> (1,122)
N/A

$$$$
WAY-643895
csChFnd80/06102009132D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,123)
1124

>  <Formula> (1,123)
C11H7N3OS

>  <MolWeight> (1,123)
229.25778

>  <Cat> (1,123)
P3503

>  <Name> (1,123)
WAY-643895

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
Casein kinase 1¦Ä

>  <Form> (1,123)
free base

>  <CAS> (1,123)
851871-94-8

>  <URL> (1,123)
N/A

$$$$
WAY-278559-A
csChFnd80/06102009132D

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  5 10  2  0  0  0  0
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 10 12  1  0  0  0  0
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 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1125

>  <Formula> (1,124)
C17H23N3O

>  <MolWeight> (1,124)
285.38402

>  <Cat> (1,124)
P3294

>  <Name> (1,124)
WAY-278559-A

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
ethanolamine kinase

>  <Form> (1,124)
free base

>  <CAS> (1,124)
301330-81-4

>  <URL> (1,124)
N/A

$$$$
WAY-642481
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 17  2  0  0  0  0
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 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18  6  1  0  0  0  0
 19 13  1  0  0  0  0
 20 12  2  0  0  0  0
 21 20  1  0  0  0  0
  6  4  1  0  0  0  0
 18 21  2  0  0  0  0
 16 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,125)
1126

>  <Formula> (1,125)
C17H16N2OS

>  <MolWeight> (1,125)
296.38674

>  <Cat> (1,125)
P3501

>  <Name> (1,125)
WAY-642481

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
CDK

>  <Form> (1,125)
free base

>  <CAS> (1,125)
22312-45-4

>  <URL> (1,125)
N/A

$$$$
WAY-643632-A
csChFnd80/06102009132D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
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 10  8  2  0  0  0  0
 11  1  1  0  0  0  0
 12  1  1  0  0  0  0
 13 12  1  0  0  0  0
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  6  2  2  0  0  0  0
M  END
>  <Mol_ID> (1,126)
1127

>  <Formula> (1,126)
C11H14N2O2

>  <MolWeight> (1,126)
206.24106

>  <Cat> (1,126)
P3502

>  <Name> (1,126)
WAY-643632-A

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
SRC kinase,TTX-S channel

>  <Form> (1,126)
free base

>  <CAS> (1,126)
500356-88-7

>  <URL> (1,126)
N/A

$$$$
WAY-616763
csChFnd80/06102009132D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  1  2  0  0  0  0
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 27 22  1  0  0  0  0
  9  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,127)
1128

>  <Formula> (1,127)
C18H15Cl2N3O4S

>  <MolWeight> (1,127)
440.3004

>  <Cat> (1,127)
P3456

>  <Name> (1,127)
WAY-616763

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
Anti-infection

>  <Form> (1,127)
free base

>  <CAS> (1,127)
735303-62-5

>  <URL> (1,127)
N/A

$$$$
WAY-641966
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,128)
1129

>  <Formula> (1,128)
C20H16N4

>  <MolWeight> (1,128)
312.36784

>  <Cat> (1,128)
P3499

>  <Name> (1,128)
WAY-641966

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
TGF-¦Â,p38-¦Á

>  <Form> (1,128)
free base

>  <CAS> (1,128)
259870-32-1

>  <URL> (1,128)
N/A

$$$$
WAY-642424
csChFnd80/06102009132D

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 17 13  1  0  0  0  0
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 20 22  2  0  0  0  0
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M  END
>  <Mol_ID> (1,129)
1130

>  <Formula> (1,129)
C19H14FN5OS

>  <MolWeight> (1,129)
379.4107632

>  <Cat> (1,129)
P3500

>  <Name> (1,129)
WAY-642424

>  <Synonyms> (1,129)
N/A

>  <Target> (1,129)
Casein kinase 1¦Ä

>  <Form> (1,129)
free base

>  <CAS> (1,129)
851396-73-1

>  <URL> (1,129)
N/A

$$$$
WAY-329592
csChFnd80/06102009132D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  6  4  1  0  0  0  0
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 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
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 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
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 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
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 25 19  1  0  0  0  0
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 27  6  1  0  0  0  0
 28  7  1  0  0  0  0
 29 17  1  0  0  0  0
 30 21  1  0  0  0  0
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 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,130)
1131

>  <Formula> (1,130)
C22H25BrN2O4S

>  <MolWeight> (1,130)
493.4139

>  <Cat> (1,130)
P3368

>  <Name> (1,130)
WAY-329592

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
tyrosine kinase

>  <Form> (1,130)
free base

>  <CAS> (1,130)
868963-53-5

>  <URL> (1,130)
N/A

$$$$
WAY-333939
csChFnd80/06102009132D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,131)
1132

>  <Formula> (1,131)
C19H21N5O2

>  <MolWeight> (1,131)
351.40234

>  <Cat> (1,131)
P3384

>  <Name> (1,131)
WAY-333939

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
Anti-infection

>  <Form> (1,131)
free base

>  <CAS> (1,131)
689268-14-2

>  <URL> (1,131)
N/A

$$$$
WAY-333908
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
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 14 10  2  0  0  0  0
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  4  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,132)
1133

>  <Formula> (1,132)
C17H12N6O2

>  <MolWeight> (1,132)
332.31618

>  <Cat> (1,132)
P3383

>  <Name> (1,132)
WAY-333908

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
others

>  <Form> (1,132)
free base

>  <CAS> (1,132)
689269-24-7

>  <URL> (1,132)
N/A

$$$$
WAY-333945
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,133)
1134

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351.38242

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>  <Name> (1,133)
WAY-333945

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
Anti-infection

>  <Form> (1,133)
free base

>  <CAS> (1,133)
689273-45-8

>  <URL> (1,133)
N/A

$$$$
WAY-616584
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,134)
1135

>  <Formula> (1,134)
C16H13N3O2S

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311.35832

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P3455

>  <Name> (1,134)
WAY-616584

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
Casein kinase 1¦Ä

>  <Form> (1,134)
free base

>  <CAS> (1,134)
695223-53-1

>  <URL> (1,134)
N/A

$$$$
WAY-625530
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,135)
1136

>  <Formula> (1,135)
C22H18ClFN2O3

>  <MolWeight> (1,135)
412.8413232

>  <Cat> (1,135)
P3466

>  <Name> (1,135)
WAY-625530

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
FGFR1

>  <Form> (1,135)
free base

>  <CAS> (1,135)
956782-57-3

>  <URL> (1,135)
N/A

$$$$
WAY-625741
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,136)
1137

>  <Formula> (1,136)
C16H13N3O4S

>  <MolWeight> (1,136)
343.35712

>  <Cat> (1,136)
P3467

>  <Name> (1,136)
WAY-625741

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
Casein kinase 1d

>  <Form> (1,136)
free base

>  <CAS> (1,136)
756857-71-3

>  <URL> (1,136)
N/A

$$$$
WAY-626116
csChFnd80/06102009132D

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>  <Mol_ID> (1,137)
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>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
Casein kinase 1d

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free base

>  <CAS> (1,137)
753468-25-6

>  <URL> (1,137)
N/A

$$$$
WAY-273170
csChFnd80/06102009132D

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M  END
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1139

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396.85012

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>  <Name> (1,138)
WAY-273170

>  <Synonyms> (1,138)
N/A

>  <Target> (1,138)
Myt1

>  <Form> (1,138)
free base

>  <CAS> (1,138)
478247-52-8

>  <URL> (1,138)
N/A

$$$$
WAY-277054
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,139)
1140

>  <Formula> (1,139)
C16H11ClFN3OS2

>  <MolWeight> (1,139)
379.8594432

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P3290

>  <Name> (1,139)
WAY-277054

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
tyrosine kinase

>  <Form> (1,139)
free base

>  <CAS> (1,139)
753467-39-9?

>  <URL> (1,139)
N/A

$$$$
WAY-336715
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,140)
1141

>  <Formula> (1,140)
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>  <MolWeight> (1,140)
376.4747

>  <Cat> (1,140)
P3386

>  <Name> (1,140)
WAY-336715

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
CDK8

>  <Form> (1,140)
free base

>  <CAS> (1,140)
451458-32-5

>  <URL> (1,140)
N/A

$$$$
WAY-337647
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,141)
1142

>  <Formula> (1,141)
C15H12ClNO4

>  <MolWeight> (1,141)
305.71308

>  <Cat> (1,141)
P3387

>  <Name> (1,141)
WAY-337647

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,141)
free base

>  <CAS> (1,141)
1402605-80-4

>  <URL> (1,141)
N/A

$$$$
WAY-612453
csChFnd80/06102009132D

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Anti-infection

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free base

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300809-10-3

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N/A

$$$$
WAY-612622
csChFnd80/06102009132D

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1144

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WAY-612622

>  <Synonyms> (1,143)
N/A

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CDK

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free base

>  <CAS> (1,143)
288401-60-5

>  <URL> (1,143)
N/A

$$$$
WAY-612698
csChFnd80/06102009132D

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>  <Mol_ID> (1,144)
1145

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>  <Name> (1,144)
WAY-612698

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,144)
free base

>  <CAS> (1,144)
565191-45-9

>  <URL> (1,144)
N/A

$$$$
WAY-612763
csChFnd80/06102009132D

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>  <Mol_ID> (1,145)
1146

>  <Formula> (1,145)
C21H15ClF3N3O5

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P3449

>  <Name> (1,145)
WAY-612763

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
YycG histidine kinase

>  <Form> (1,145)
free base

>  <CAS> (1,145)
479060-67-8

>  <URL> (1,145)
N/A

$$$$
WAY-630308
csChFnd80/06102009132D

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>  <Mol_ID> (1,146)
1147

>  <Formula> (1,146)
C16H21N3O3

>  <MolWeight> (1,146)
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>  <Cat> (1,146)
P3469

>  <Name> (1,146)
WAY-630308

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
Casein kinase 1¦Ä

>  <Form> (1,146)
free base

>  <CAS> (1,146)
326034-30-4

>  <URL> (1,146)
N/A

$$$$
WAY-630363
csChFnd80/06102009132D

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Casein kinase 1¦Ä

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free base

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729579-66-2

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N/A

$$$$
WAY-647361
csChFnd80/06102009132D

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 PI3K

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free base

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852399-94-1

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N/A

$$$$
WAY-647636
csChFnd80/06102009132D

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Casein kinase 1¦Ä

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free base

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556055-08-4

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N/A

$$$$
WAY-647729
csChFnd80/06102009132D

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>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
CDK

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free base

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852678-17-2

>  <URL> (1,150)
N/A

$$$$
WAY-647766
csChFnd80/06102009132D

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>  <Synonyms> (1,151)
N/A

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Casein kinase 1¦Ä

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free base

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851168-98-4

>  <URL> (1,151)
N/A

$$$$
WAY-647802
csChFnd80/06102009132D

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N/A

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EGFR,CDK4 and 6

>  <Form> (1,152)
free base

>  <CAS> (1,152)
852225-20-8

>  <URL> (1,152)
N/A

$$$$
WAY-648936
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,153)
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C13H10N4O

>  <MolWeight> (1,153)
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>  <Cat> (1,153)
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>  <Name> (1,153)
WAY-648936

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
CDK

>  <Form> (1,153)
free base

>  <CAS> (1,153)
796888-73-8

>  <URL> (1,153)
N/A

$$$$
WAY-649123
csChFnd80/06102009132D

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>  <Mol_ID> (1,154)
1155

>  <Formula> (1,154)
C21H18N4

>  <MolWeight> (1,154)
326.39442

>  <Cat> (1,154)
P3510

>  <Name> (1,154)
WAY-649123

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
TGF-¦Â,p38-a

>  <Form> (1,154)
free base

>  <CAS> (1,154)
801244-46-2

>  <URL> (1,154)
N/A

$$$$
WL-300778
csChFnd80/06102009132D

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>  <Mol_ID> (1,155)
1156

>  <Formula> (1,155)
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>  <MolWeight> (1,155)
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>  <Cat> (1,155)
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>  <Name> (1,155)
WL-300778

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
ROCK,Pteridine Reductase 1

>  <Form> (1,155)
free base

>  <CAS> (1,155)
802980-14-9

>  <URL> (1,155)
N/A

$$$$
CL-104773
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,156)
1157

>  <Formula> (1,156)
C17H14N2O

>  <MolWeight> (1,156)
262.30586

>  <Cat> (1,156)
P3253

>  <Name> (1,156)
CL-104773

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,156)
free base

>  <CAS> (1,156)
802980-92-3

>  <URL> (1,156)
N/A

$$$$
WAY-269040
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,157)
1158

>  <Formula> (1,157)
C20H23N3OS

>  <MolWeight> (1,157)
353.48112

>  <Cat> (1,157)
P3271

>  <Name> (1,157)
WAY-269040

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
Anti-infection

>  <Form> (1,157)
free base

>  <CAS> (1,157)
846065-09-6

>  <URL> (1,157)
N/A

$$$$
WAY-339696
csChFnd80/06102009132D

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>  <Synonyms> (1,158)
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>  <Target> (1,158)
 EGFR-T790M/L858R

>  <Form> (1,158)
free base

>  <CAS> (1,158)
333419-97-9

>  <URL> (1,158)
N/A

$$$$
WAY-349290
csChFnd80/06102009132D

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>  <Name> (1,159)
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>  <Synonyms> (1,159)
N/A

>  <Target> (1,159)
Pim,MCH receptor

>  <Form> (1,159)
free base

>  <CAS> (1,159)
215928-66-8

>  <URL> (1,159)
N/A

$$$$
WAY-613473
csChFnd80/06102009132D

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C20H16N4O3S

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>  <Name> (1,160)
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>  <Synonyms> (1,160)
N/A

>  <Target> (1,160)
HIV,JAK-2,PI3K

>  <Form> (1,160)
free base

>  <CAS> (1,160)
301357-74-4

>  <URL> (1,160)
N/A

$$$$
WAY-613991
csChFnd80/06102009132D

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>  <Mol_ID> (1,161)
1162

>  <Formula> (1,161)
C23H17N3O4

>  <MolWeight> (1,161)
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>  <Cat> (1,161)
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>  <Name> (1,161)
WAY-613991

>  <Synonyms> (1,161)
N/A

>  <Target> (1,161)
Casein kinase 1d

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free base

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565167-37-5

>  <URL> (1,161)
N/A

$$$$
WAY-630998
csChFnd80/06102009132D

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>  <Name> (1,162)
WAY-630998

>  <Synonyms> (1,162)
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>  <Target> (1,162)
p38a

>  <Form> (1,162)
free base

>  <CAS> (1,162)
251106-30-6

>  <URL> (1,162)
N/A

$$$$
WAY-631127
csChFnd80/06102009132D

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WAY-631127

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
Casein kinase 1¦Ä

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free base

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756849-12-4

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N/A

$$$$
WAY-631545
csChFnd80/06102009132D

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>  <Mol_ID> (1,164)
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WAY-631545

>  <Synonyms> (1,164)
N/A

>  <Target> (1,164)
others

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free base

>  <CAS> (1,164)
681260-56-0

>  <URL> (1,164)
N/A

$$$$
WAY-632021
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,165)
1166

>  <Formula> (1,165)
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>  <Name> (1,165)
WAY-632021

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,165)
free base

>  <CAS> (1,165)
742094-64-0

>  <URL> (1,165)
N/A

$$$$
WAY-632323
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,166)
1167

>  <Formula> (1,166)
C18H15N5S2

>  <MolWeight> (1,166)
365.4752

>  <Cat> (1,166)
P3475

>  <Name> (1,166)
WAY-632323

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
Casein kinase 1¦Ä

>  <Form> (1,166)
free base

>  <CAS> (1,166)
782457-22-1

>  <URL> (1,166)
N/A

$$$$
WAY-650313
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,167)
1168

>  <Formula> (1,167)
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>  <MolWeight> (1,167)
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>  <Cat> (1,167)
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>  <Name> (1,167)
WAY-650313

>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
Casein kinase 1¦Ä

>  <Form> (1,167)
free base

>  <CAS> (1,167)
847772-08-1

>  <URL> (1,167)
N/A

$$$$
WAY-650886
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,168)
1169

>  <Formula> (1,168)
C19H16N4O2

>  <MolWeight> (1,168)
332.35594

>  <Cat> (1,168)
P3512

>  <Name> (1,168)
WAY-650886

>  <Synonyms> (1,168)
N/A

>  <Target> (1,168)
Casein kinase 1¦Ä

>  <Form> (1,168)
free base

>  <CAS> (1,168)
848066-61-5

>  <URL> (1,168)
N/A

$$$$
WAY-651445
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,169)
1170

>  <Formula> (1,169)
C18H13N3O2S

>  <MolWeight> (1,169)
335.37972

>  <Cat> (1,169)
P3513

>  <Name> (1,169)
WAY-651445

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
LIMK1£¬IkB

>  <Form> (1,169)
free base

>  <CAS> (1,169)
848289-47-4

>  <URL> (1,169)
N/A

$$$$
GI-555736
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,170)
1171

>  <Formula> (1,170)
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>  <MolWeight> (1,170)
208.25848

>  <Cat> (1,170)
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>  <Name> (1,170)
GI-555736

>  <Synonyms> (1,170)
N/A

>  <Target> (1,170)
PDGFR

>  <Form> (1,170)
free base

>  <CAS> (1,170)
848342-16-5

>  <URL> (1,170)
N/A

$$$$
WAY-270318
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,171)
1172

>  <Formula> (1,171)
C14H14N4OS

>  <MolWeight> (1,171)
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>  <Cat> (1,171)
P3272

>  <Name> (1,171)
WAY-270318

>  <Synonyms> (1,171)
N/A

>  <Target> (1,171)
protein kinase

>  <Form> (1,171)
free base

>  <CAS> (1,171)
721964-48-3

>  <URL> (1,171)
N/A

$$$$
WAY-270329
csChFnd80/06102009132D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,172)
1173

>  <Formula> (1,172)
C21H18FN5O2S

>  <MolWeight> (1,172)
423.4633232

>  <Cat> (1,172)
P3273

>  <Name> (1,172)
WAY-270329

>  <Synonyms> (1,172)
N/A

>  <Target> (1,172)
protein kinase

>  <Form> (1,172)
free base

>  <CAS> (1,172)
721964-51-8

>  <URL> (1,172)
N/A

$$$$
WAY-270382
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,173)
1174

>  <Formula> (1,173)
C16H10N2O3S2

>  <MolWeight> (1,173)
342.3922

>  <Cat> (1,173)
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>  <Name> (1,173)
WAY-270382

>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
Metallo-b-lactamase,ASK1

>  <Form> (1,173)
free base

>  <CAS> (1,173)
1427537-93-6

>  <URL> (1,173)
N/A

$$$$
WAY-270444
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,174)
1175

>  <Formula> (1,174)
C17H16N2O3

>  <MolWeight> (1,174)
296.32054

>  <Cat> (1,174)
P3275

>  <Name> (1,174)
WAY-270444

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
Hsp90,PDK4,PPAR

>  <Form> (1,174)
free base

>  <CAS> (1,174)
394237-61-7

>  <URL> (1,174)
N/A

$$$$
WAY-270599
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,175)
1176

>  <Formula> (1,175)
C17H11ClN2O4S

>  <MolWeight> (1,175)
374.79824

>  <Cat> (1,175)
P3276

>  <Name> (1,175)
WAY-270599

>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
FGFR1,TNFa

>  <Form> (1,175)
free base

>  <CAS> (1,175)
397281-20-8

>  <URL> (1,175)
N/A

$$$$
WAY-270947
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,176)
1177

>  <Formula> (1,176)
C17H14BrN7O

>  <MolWeight> (1,176)
412.24336

>  <Cat> (1,176)
P3277

>  <Name> (1,176)
WAY-270947

>  <Synonyms> (1,176)
N/A

>  <Target> (1,176)
ALK5

>  <Form> (1,176)
free base

>  <CAS> (1,176)
1198579-20-2

>  <URL> (1,176)
N/A

$$$$
WAY-270966
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,177)
1178

>  <Formula> (1,177)
C16H14BrN3OS2

>  <MolWeight> (1,177)
408.33586

>  <Cat> (1,177)
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>  <Name> (1,177)
WAY-270966

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
p38

>  <Form> (1,177)
free base

>  <CAS> (1,177)
421578-44-1

>  <URL> (1,177)
N/A

$$$$
WAY-270968
csChFnd80/06102009132D

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free base

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421578-46-3

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N/A

$$$$
WAY-271146
csChFnd80/06102009132D

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N/A

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VEGFR

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free base

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683235-33-8

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N/A

$$$$
WAY-271147
csChFnd80/06102009132D

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WAY-271147

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VEGFR

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free base

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683235-34-9

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N/A

$$$$
WAY-600632
csChFnd80/06102009132D

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WAY-600632

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
Casein kinase 1¦Ä

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free base

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438018-70-3

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N/A

$$$$
WAY-601258
csChFnd80/06102009132D

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WAY-601258

>  <Synonyms> (1,182)
N/A

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Anti-infection

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free base

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496023-52-0

>  <URL> (1,182)
N/A

$$$$
WAY-601323
csChFnd80/06102009132D

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324778-48-5

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N/A

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WAY-600704-A
csChFnd80/06102009132D

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ethanolamine kinase

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free base

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301330-94-9

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N/A

$$$$
WAY-600868
csChFnd80/06102009132D

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348-45-8

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N/A

$$$$
WAY-601017
csChFnd80/06102009132D

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WAY-601017

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 PI3K

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free base

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300375-81-9

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N/A

$$$$
WAY-601035
csChFnd80/06102009132D

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N/A

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 PI3K

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free base

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304645-61-2

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N/A

$$$$
WAY-614915
csChFnd80/06102009132D

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N/A

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Casein kinase 1¦Ä

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free base

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450394-66-8

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N/A

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WAY-615029
csChFnd80/06102009132D

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>  <Mol_ID> (1,189)
1190

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WAY-615029

>  <Synonyms> (1,189)
N/A

>  <Target> (1,189)
Kinase

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free base

>  <CAS> (1,189)
730945-59-2

>  <URL> (1,189)
N/A

$$$$
WAY-632613
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,190)
1191

>  <Formula> (1,190)
C15H14N2O3S

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302.34826

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P3476

>  <Name> (1,190)
WAY-632613

>  <Synonyms> (1,190)
N/A

>  <Target> (1,190)
p38

>  <Form> (1,190)
free base

>  <CAS> (1,190)
731816-85-6

>  <URL> (1,190)
N/A

$$$$
WAY-632896
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,191)
1192

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WAY-632896

>  <Synonyms> (1,191)
N/A

>  <Target> (1,191)
CDK9,GSK-3

>  <Form> (1,191)
free base

>  <CAS> (1,191)
784170-07-6

>  <URL> (1,191)
N/A

$$$$
WAY-632963-A
csChFnd80/06102009132D

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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,192)
1193

>  <Formula> (1,192)
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P3478

>  <Name> (1,192)
WAY-632963

>  <Synonyms> (1,192)
N/A

>  <Target> (1,192)
Aurora kinase A

>  <Form> (1,192)
free base

>  <CAS> (1,192)
900640-73-5

>  <URL> (1,192)
N/A

$$$$
WAY-633334
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,193)
1194

>  <Formula> (1,193)
C15H15N3O2S

>  <MolWeight> (1,193)
301.3635

>  <Cat> (1,193)
P3479

>  <Name> (1,193)
WAY-633334

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
Casein kinase 1¦Ä

>  <Form> (1,193)
free base

>  <CAS> (1,193)
757224-44-5

>  <URL> (1,193)
N/A

$$$$
WAY-633877
csChFnd80/06102009132D

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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (1,194)
1195

>  <Formula> (1,194)
C21H19N5O3

>  <MolWeight> (1,194)
389.40726

>  <Cat> (1,194)
P3480

>  <Name> (1,194)
WAY-633877

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
Casein kinase 1¦Ä

>  <Form> (1,194)
free base

>  <CAS> (1,194)
782452-74-8

>  <URL> (1,194)
N/A

$$$$
WAY-652435
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,195)
1196

>  <Formula> (1,195)
C9H15N3O

>  <MolWeight> (1,195)
181.2349

>  <Cat> (1,195)
P3514

>  <Name> (1,195)
WAY-652435

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,195)
free base

>  <CAS> (1,195)
173850-51-6

>  <URL> (1,195)
N/A

$$$$
WAY-652509
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,196)
1197

>  <Formula> (1,196)
C15H12ClN3

>  <MolWeight> (1,196)
269.72888

>  <Cat> (1,196)
P3515

>  <Name> (1,196)
WAY-652509

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,196)
free base

>  <CAS> (1,196)
854355-54-7

>  <URL> (1,196)
N/A

$$$$
WAY-652641
csChFnd80/06102009132D

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 10  7  2  0  0  0  0
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 14 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,197)
1198

>  <Formula> (1,197)
C9H14N2O3

>  <MolWeight> (1,197)
198.21906

>  <Cat> (1,197)
P3516

>  <Name> (1,197)
WAY-652641

>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
CDK

>  <Form> (1,197)
free base

>  <CAS> (1,197)
852851-73-1

>  <URL> (1,197)
N/A

$$$$
WAY-652848
csChFnd80/06102009132D

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 11  2  1  0  0  0  0
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 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,198)
1199

>  <Formula> (1,198)
C17H17F3N2O3

>  <MolWeight> (1,198)
354.3236896

>  <Cat> (1,198)
P3517

>  <Name> (1,198)
WAY-652848

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
SRPK kinase 

>  <Form> (1,198)
free base

>  <CAS> (1,198)
848057-98-7

>  <URL> (1,198)
N/A

$$$$
WAY-653005
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,199)
1200

>  <Formula> (1,199)
C11H15NO

>  <MolWeight> (1,199)
177.2429

>  <Cat> (1,199)
P3518

>  <Name> (1,199)
WAY-653005

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
others

>  <Form> (1,199)
free base

>  <CAS> (1,199)
74190-66-2

>  <URL> (1,199)
N/A

$$$$
WAY-271413
csChFnd80/06102009132D

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WAY-271413

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N/A

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GSK-3¦Â

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free base

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536731-65-4

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N/A

$$$$
WAY-271999
csChFnd80/06102009132D

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N/A

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c-Met

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free base

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147920-34-1

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N/A

$$$$
WAY-272077
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,202)
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WAY-272077

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N/A

>  <Target> (1,202)
sphingosine kinase

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free base

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1415662-57-5

>  <URL> (1,202)
N/A

$$$$
WAY-272130
csChFnd80/06102009132D

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M  END
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1204

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P3285

>  <Name> (1,203)
WAY-272130

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
FGFR1

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free base

>  <CAS> (1,203)
442534-83-0

>  <URL> (1,203)
N/A

$$$$
WAY-272324
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,204)
1205

>  <Formula> (1,204)
C16H11NO5S

>  <MolWeight> (1,204)
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>  <Name> (1,204)
WAY-272324

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
 PI3K

>  <Form> (1,204)
free base

>  <CAS> (1,204)
900515-01-7

>  <URL> (1,204)
N/A

$$$$
WAY-272449
csChFnd80/06102009132D

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1206

>  <Formula> (1,205)
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>  <Cat> (1,205)
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>  <Name> (1,205)
WAY-272449

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
FGFR1

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free base

>  <CAS> (1,205)
670266-26-9

>  <URL> (1,205)
N/A

$$$$
WAY-272589
csChFnd80/06102009132D

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345.4392

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WAY-272589

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
pin1

>  <Form> (1,206)
free base

>  <CAS> (1,206)
637325-53-2

>  <URL> (1,206)
N/A

$$$$
WAY-320008
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,207)
1208

>  <Formula> (1,207)
C20H16N4

>  <MolWeight> (1,207)
312.36784

>  <Cat> (1,207)
P3322

>  <Name> (1,207)
WAY-320008

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
tropomyosin-related kinase a

>  <Form> (1,207)
free base

>  <CAS> (1,207)
128889-33-8

>  <URL> (1,207)
N/A

$$$$
WAY-320426
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,208)
1209

>  <Formula> (1,208)
C14H14ClN3O2

>  <MolWeight> (1,208)
291.73286

>  <Cat> (1,208)
P3326

>  <Name> (1,208)
WAY-320426

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
Anti-infection

>  <Form> (1,208)
free base

>  <CAS> (1,208)
312601-47-1

>  <URL> (1,208)
N/A

$$$$
WAY-320509
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,209)
1210

>  <Formula> (1,209)
C18H17N3O2S

>  <MolWeight> (1,209)
339.41148

>  <Cat> (1,209)
P3327

>  <Name> (1,209)
WAY-320509

>  <Synonyms> (1,209)
N/A

>  <Target> (1,209)
Anti-infection,CDK8

>  <Form> (1,209)
free base

>  <CAS> (1,209)
314035-54-6

>  <URL> (1,209)
N/A

$$$$
WAY-320049
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,210)
1211

>  <Formula> (1,210)
C13H17NO3S

>  <MolWeight> (1,210)
267.34398

>  <Cat> (1,210)
P3323

>  <Name> (1,210)
WAY-320049

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
others

>  <Form> (1,210)
free base

>  <CAS> (1,210)
298193-11-0

>  <URL> (1,210)
N/A

$$$$
WAY-320080
csChFnd80/06102009132D

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   -3.6241   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6758   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  6  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,211)
1212

>  <Formula> (1,211)
C14H13N3O2S

>  <MolWeight> (1,211)
287.33692

>  <Cat> (1,211)
P3324

>  <Name> (1,211)
WAY-320080

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
glucokinase,heat shock protein 90

>  <Form> (1,211)
free base

>  <CAS> (1,211)
349549-38-8

>  <URL> (1,211)
N/A

$$$$
WAY-320081
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.8747   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4495    1.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,212)
1213

>  <Formula> (1,212)
C14H13N3O2S

>  <MolWeight> (1,212)
287.33692

>  <Cat> (1,212)
P3325

>  <Name> (1,212)
WAY-320081

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
glucokinase,heat shock protein 90

>  <Form> (1,212)
free base

>  <CAS> (1,212)
66780-67-4

>  <URL> (1,212)
N/A

$$$$
WAY-602219
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,213)
1214

>  <Formula> (1,213)
C14H12N2O3S2

>  <MolWeight> (1,213)
320.38668

>  <Cat> (1,213)
P3430

>  <Name> (1,213)
WAY-602219

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Trypanosoma brucei hexokinase 

>  <Form> (1,213)
free base

>  <CAS> (1,213)
378197-09-2

>  <URL> (1,213)
N/A

$$$$
WAY-602746
csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,214)
1215

>  <Formula> (1,214)
C20H16N4O

>  <MolWeight> (1,214)
328.36724

>  <Cat> (1,214)
P3431

>  <Name> (1,214)
WAY-602746

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
ROS 

>  <Form> (1,214)
free base

>  <CAS> (1,214)
370096-57-4

>  <URL> (1,214)
N/A

$$$$
WAY-603264
csChFnd80/06102009132D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.3743    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6576    0.8174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0326   -0.4576    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9701    1.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 12  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  5  6  2  0  0  0  0
 11  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,215)
1216

>  <Formula> (1,215)
C8H12N2OS

>  <MolWeight> (1,215)
184.25868

>  <Cat> (1,215)
P3432

>  <Name> (1,215)
WAY-603264

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
adenosine kinase

>  <Form> (1,215)
free base

>  <CAS> (1,215)
58350-40-6

>  <URL> (1,215)
N/A

$$$$
WAY-603359
csChFnd80/06102009132D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.1417    1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  2  0  0  0  0
 10  7  1  0  0  0  0
 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
  7  8  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,216)
1217

>  <Formula> (1,216)
C10H12ClN3O2

>  <MolWeight> (1,216)
241.67418

>  <Cat> (1,216)
P3433

>  <Name> (1,216)
WAY-603359

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
p38

>  <Form> (1,216)
free base

>  <CAS> (1,216)
329268-90-8

>  <URL> (1,216)
N/A

$$$$
WAY-634931
csChFnd80/06102009132D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.2653   -1.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653   -2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,217)
1218

>  <Formula> (1,217)
C10H14O2

>  <MolWeight> (1,217)
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P3482

>  <Name> (1,217)
WAY-634931

>  <Synonyms> (1,217)
N/A

>  <Target> (1,217)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,217)
free base

>  <CAS> (1,217)
82683-51-0

>  <URL> (1,217)
N/A

$$$$
WAY-634964
csChFnd80/06102009132D

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>  <Mol_ID> (1,218)
1219

>  <Formula> (1,218)
C9H7N3O2

>  <MolWeight> (1,218)
189.17078

>  <Cat> (1,218)
P3483

>  <Name> (1,218)
WAY-634964

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
tyrosine kinase

>  <Form> (1,218)
free base

>  <CAS> (1,218)
157842-34-7

>  <URL> (1,218)
N/A

$$$$
WAY-634704
csChFnd80/06102009132D

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>  <Mol_ID> (1,219)
1220

>  <Formula> (1,219)
C13H13ClN2O5S

>  <MolWeight> (1,219)
344.77072

>  <Cat> (1,219)
P3481

>  <Name> (1,219)
WAY-634704

>  <Synonyms> (1,219)
N/A

>  <Target> (1,219)
Aurora kinase A

>  <Form> (1,219)
free base

>  <CAS> (1,219)
781619-26-9

>  <URL> (1,219)
N/A

$$$$
WAY-635109
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,220)
1221

>  <Formula> (1,220)
C13H9N3O2S

>  <MolWeight> (1,220)
271.29446

>  <Cat> (1,220)
P3484

>  <Name> (1,220)
WAY-635109

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
B-Raf

>  <Form> (1,220)
free base

>  <CAS> (1,220)
781622-25-1

>  <URL> (1,220)
N/A

$$$$
WAY-635114
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,221)
1222

>  <Formula> (1,221)
C13H11N3OS

>  <MolWeight> (1,221)
257.31094

>  <Cat> (1,221)
P3485

>  <Name> (1,221)
WAY-635114

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
B-Raf

>  <Form> (1,221)
free base

>  <CAS> (1,221)
781622-52-4

>  <URL> (1,221)
N/A

$$$$
WAY-635319
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,222)
1223

>  <Formula> (1,222)
C16H14N2O3

>  <MolWeight> (1,222)
282.29396

>  <Cat> (1,222)
P3486

>  <Name> (1,222)
WAY-635319

>  <Synonyms> (1,222)
N/A

>  <Target> (1,222)
CDK

>  <Form> (1,222)
free base

>  <CAS> (1,222)
763098-07-3

>  <URL> (1,222)
N/A

$$$$

csChFnd80/06102009132D

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   14.6988    3.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0  0  0  0
 12  2  1  0  0  0  0
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 21  3  1  0  0  0  0
 22  3  1  0  0  0  0
 23  3  1  0  0  0  0
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 17  4  2  0  0  0  0
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 13  6  1  0  0  0  0
 15  6  2  0  0  0  0
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 26 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,223)
1224

>  <Formula> (1,223)
C21H18F3N5O

>  <MolWeight> (1,223)
413.3957296

>  <Cat> (1,223)
S2931

>  <Name> (1,223)
Aurora Kinase Inhibitor III

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
Aurora Kinase

>  <Form> (1,223)
Free Base

>  <CAS> (1,223)
879127-16-9

>  <URL> (1,223)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$

csChFnd80/06102009132D

 40 41  0  0  0  0  0  0  0  0999 V2000
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   11.7081    2.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7081    1.1141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5578    5.3141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2  7  1  0  0  0  0
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  8 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 37  1  6  0  0  0
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M  END
>  <Mol_ID> (1,224)
1225

>  <Formula> (1,224)
C26H29Cl4FN6O3

>  <MolWeight> (1,224)
634.3572632

>  <Cat> (1,224)
S2934

>  <Name> (1,224)
Ensartinib (X-396) dihydrochloride

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
ALK

>  <Form> (1,224)
Dihydrochloride

>  <CAS> (1,224)
2137030-98-7

>  <URL> (1,224)
http://www.selleck.cn/products/ensartinib-dihydrochloride.html

$$$$

csChFnd80/06102009132D

 30 32  0  0  0  0  0  0  0  0999 V2000
   14.5487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9735    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9735    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7610    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1859    2.7998    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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  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  3  7  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 27  1  1  0  0  0  0
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 13 20  1  0  0  0  0
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M  END
>  <Mol_ID> (1,225)
1226

>  <Formula> (1,225)
C21H16F3N3O3

>  <MolWeight> (1,225)
415.3652496

>  <Cat> (1,225)
S6526

>  <Name> (1,225)
SKLB 610

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
VEGFR

>  <Form> (1,225)
Free Base

>  <CAS> (1,225)
1125780-41-7

>  <URL> (1,225)
http://www.selleck.cn/products/sklb610.html

$$$$

csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 10  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
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 17 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 22 14  1  0  0  0  0
 15 17  1  0  0  0  0
 18 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,226)
1227

>  <Formula> (1,226)
C18H24N6O

>  <MolWeight> (1,226)
340.42276

>  <Cat> (1,226)
S6531

>  <Name> (1,226)
Bohemine

>  <Synonyms> (1,226)
N/A

>  <Target> (1,226)
CDK

>  <Form> (1,226)
Free Base

>  <CAS> (1,226)
189232-42-6

>  <URL> (1,226)
http://www.selleck.cn/products/bohemine.html

$$$$

csChFnd80/06102009132D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    5.9903    6.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8905   10.3818    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.6921    7.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    6.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    7.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1903    9.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2140    4.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0903    7.9560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7908    9.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251    2.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2903   10.3818    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1904   11.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9912    9.1699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    5.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    8.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8902    7.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0942    1.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962    2.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7899    6.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1903    6.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5344    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8363    1.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200    6.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  7  2  1  0  0  0  0
 10  2  1  0  0  0  0
  8  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5  9  1  0  0  0  0
 14  5  1  0  0  0  0
 15  5  2  0  0  0  0
 11  6  1  0  0  0  0
 16  6  2  0  0  0  0
 19  7  1  0  0  0  0
  8  7  2  0  0  0  0
 20  8  1  0  0  0  0
  9 12  1  0  0  0  0
 21  9  2  0  0  0  0
 17 10  1  0  0  0  0
 12 11  2  0  0  0  0
 24 11  1  0  0  0  0
 13 17  1  0  0  0  0
 22 13  1  0  0  0  0
 23 13  1  0  0  0  0
 18 27  1  0  0  0  0
 18 26  1  0  0  0  0
 28 19  2  0  0  0  0
 29 20  2  0  0  0  0
 21 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 25 24  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,232)
1233

>  <Formula> (1,232)
C20H21N5O4

>  <MolWeight> (1,232)
395.41184

>  <Cat> (1,232)
S6598

>  <Name> (1,232)
IRAK-1-4 Inhibitor I

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
TLR

>  <Form> (1,232)
Free Base

>  <CAS> (1,232)
509093-47-4

>  <URL> (1,232)
http://www.selleck.cn/products/irak-1-4-inhibitor-i.html

$$$$

csChFnd80/06102009132D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1245    0.6974    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.3051   10.1698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   10.1698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4254    2.0996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    2.0992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2761    6.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4666    8.4565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9867    8.4654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1783    6.2916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    2.1003    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
    3.6379    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    4.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0633    4.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2757    4.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7005    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0628    2.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9129    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4887    6.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9659    6.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9125    2.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    4.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3376    4.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7239    9.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 15  2  0  0  0  0
  6 22  1  0  0  0  0
  7 18  2  0  0  0  0
  7 25  1  0  0  0  0
  8 25  2  0  0  0  0
  8 31  1  0  0  0  0
  9 26  1  0  0  0  0
  9 31  2  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 32  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,233)
1234

>  <Formula> (1,233)
C22H21BrCl2N6O

>  <MolWeight> (1,233)
536.25174

>  <Cat> (1,233)
S6619

>  <Name> (1,233)
ABT 702 dihydrochloride

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
Adenosine Receptor

>  <Form> (1,233)
Dihydrochloride

>  <CAS> (1,233)
1188890-28-9

>  <URL> (1,233)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

$$$$

csChFnd80/06102009132D

 25 29  0  0  0  0  0  0  0  0999 V2000
    9.7366    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5241    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9489    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3713    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7405    0.7076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6080    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6713    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7404    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1613    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1613    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3738    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 13 14  1  0  0  0  0
  8 11  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 19 22  2  0  0  0  0
  7 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,234)
1235

>  <Formula> (1,234)
C17H16N8

>  <MolWeight> (1,234)
332.36254

>  <Cat> (1,234)
S6623

>  <Name> (1,234)
APY29

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
IRE1

>  <Form> (1,234)
Free Base

>  <CAS> (1,234)
1216665-49-4

>  <URL> (1,234)
http://www.selleck.cn/products/apy29.html

$$$$

csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    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
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4787    5.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 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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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  2  0  0  0  0
 22 24  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 25  1  0  0  0  0
 15 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 11 27  1  0  0  0  0
  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,235)
1236

>  <Formula> (1,235)
C18H13ClF2N6O

>  <MolWeight> (1,235)
402.7852264

>  <Cat> (1,235)
S6636

>  <Name> (1,235)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
ROCK

>  <Form> (1,235)
Free Base

>  <CAS> (1,235)
867017-68-3

>  <URL> (1,235)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    3.6373    0.7000    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
    6.0622    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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JNK

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1438391-30-0

>  <URL> (1,241)
http://www.selleck.cn/products/cc-401-hydrochloride.html

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1243

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S6734

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N/A

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Casein Kinase

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>  <CAS> (1,242)
950912-80-8

>  <URL> (1,242)
http://www.selleck.cn/products/pf-670462.html

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>  <Formula> (1,243)
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JNK

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Free Base

>  <CAS> (1,243)
929007-72-7

>  <URL> (1,243)
http://www.selleck.cn/products/db07268.html

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csChFnd80/06102009132D

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>  <Formula> (1,244)
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>  <MolWeight> (1,244)
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Rho

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429653-73-6

>  <URL> (1,244)
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>  <Mol_ID> (1,245)
1246

>  <Formula> (1,245)
C29H31N7O3

>  <MolWeight> (1,245)
525.60154

>  <Cat> (1,245)
S8781

>  <Name> (1,245)
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N/A

>  <Target> (1,245)
c-RET

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Free Base

>  <CAS> (1,245)
2152628-33-4

>  <URL> (1,245)
http://www.selleck.cn/products/loxo-292.html

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,246)
1247

>  <Formula> (1,246)
C23H20N6O

>  <MolWeight> (1,246)
396.4445

>  <Cat> (1,246)
S8814

>  <Name> (1,246)
TAS6417

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
EGFR

>  <Form> (1,246)
Free Base

>  <CAS> (1,246)
1661854-97-2

>  <URL> (1,246)
http://www.selleck.cn/products/tas6417.html

$$$$

csChFnd80/06102009132D

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1248

>  <Formula> (1,247)
C36H32N6O3

>  <MolWeight> (1,247)
596.67768

>  <Cat> (1,247)
S8839

>  <Name> (1,247)
Borussertib

>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
Akt

>  <Form> (1,247)
Free Base

>  <CAS> (1,247)
1800070-77-2

>  <URL> (1,247)
http://www.selleck.cn/products/borussertib.html

$$$$

csChFnd80/06102009132D

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1249

>  <Formula> (1,248)
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>  <MolWeight> (1,248)
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>  <Cat> (1,248)
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>  <Name> (1,248)
AZD7648

>  <Synonyms> (1,248)
N/A

>  <Target> (1,248)
DNA-PK

>  <Form> (1,248)
Free Base

>  <CAS> (1,248)
2230820-11-6

>  <URL> (1,248)
http://www.selleck.cn/products/azd7648.html

$$$$

csChFnd80/06102009132D

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>  <Cat> (1,249)
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>  <Synonyms> (1,249)
N/A

>  <Target> (1,249)
FGFR

>  <Form> (1,249)
Free Base

>  <CAS> (1,249)
1448169-71-8

>  <URL> (1,249)
http://www.selleck.cn/products/tas-120.html

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csChFnd80/06102009132D

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1251

>  <Formula> (1,250)
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>  <MolWeight> (1,250)
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>  <Cat> (1,250)
S8853

>  <Name> (1,250)
Belvarafenib(GDC5573, HM95573, RG6185)

>  <Synonyms> (1,250)
N/A

>  <Target> (1,250)
Raf

>  <Form> (1,250)
Free Base

>  <CAS> (1,250)
1446113-23-0

>  <URL> (1,250)
http://www.selleck.cn/products/belvarafenib.html

$$$$

csChFnd80/06102009132D

 39 43  0  0  0  0  0  0  0  0999 V2000
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1252

>  <Formula> (1,251)
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>  <MolWeight> (1,251)
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>  <Cat> (1,251)
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>  <Name> (1,251)
NG25

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
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>  <Form> (1,251)
Free Base

>  <CAS> (1,251)
1315355-93-1

>  <URL> (1,251)
http://www.selleck.cn/products/ng25.html

$$$$

csChFnd80/06102009132D

 29 32  0  0  0  0  0  0  0  0999 V2000
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1303420-67-8

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1472797-69-5

>  <URL> (1,253)
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    1.2267    8.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    7.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9838    7.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    3.4493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1769    4.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5054    4.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958    2.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5300    1.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2295    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8952    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.9437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1614    2.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6435    4.9499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9186    4.3718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  2 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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
 11 19  1  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 13 20  2  0  0  0  0
  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,256)
1257

>  <Formula> (1,256)
C16H11N3O2

>  <MolWeight> (1,256)
277.27744

>  <Cat> (1,256)
S2009

>  <Name> (1,256)
Indirubin-3'-monoxime

>  <Synonyms> (1,256)
Indirubin-3'-oxime

>  <Target> (1,256)
CDK

>  <Form> (1,256)
Free Base

>  <CAS> (1,256)
160807-49-8

>  <URL> (1,256)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/06102009132D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.0018    8.6912    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7019    7.4787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    6.4382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4861    7.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6324    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    6.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    7.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    4.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6638    6.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0942    7.3325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9171    8.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3095    8.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8789    7.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0562    5.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    4.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0613    2.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8538    2.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    2.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6491    4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    2.1009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4277    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189    0.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    2.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  2 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 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
 18 23  1  0  0  0  0
 27 28  1  0  0  0  0
 16 27  1  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,257)
1258

>  <Formula> (1,257)
C20H20N4O3S

>  <MolWeight> (1,257)
396.4628

>  <Cat> (1,257)
S2039

>  <Name> (1,257)
IRAK inhibitor 6

>  <Synonyms> (1,257)
N/A

>  <Target> (1,257)
IL Receptor

>  <Form> (1,257)
Free Base

>  <CAS> (1,257)
1042672-97-8

>  <URL> (1,257)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  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
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,258)
1259

>  <Formula> (1,258)
C10H13N5O5

>  <MolWeight> (1,258)
283.24072

>  <Cat> (1,258)
S9275

>  <Name> (1,258)
Isoguanosine

>  <Form> (1,258)
free base

>  <CAS> (1,258)
1818-71-9

$$$$

csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    1.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    2.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6792    4.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8906    3.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8964    2.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1088    1.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3882    2.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3234    1.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6216    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2528    0.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    4.6890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    1.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    3.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187    3.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    3.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    3.9894    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7502    2.7774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3502    5.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  1  1  0  0  0  0
  1  2  1  0  0  0  0
 19  3  2  0  0  0  0
  3 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  8 17  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  1  0  0  0  0
 16 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
 23 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,259)
1260

>  <Formula> (1,259)
C19H21N3O2S

>  <MolWeight> (1,259)
355.45394

>  <Cat> (1,259)
S2070

>  <Name> (1,259)
ISCK03

>  <Synonyms> (1,259)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (1,259)
c-Kit

>  <Form> (1,259)
Free Base

>  <CAS> (1,259)
945526-43-2

>  <URL> (1,259)
http://www.selleck.cn/products/isck03.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/06102009132D

 16 15  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   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
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 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
   15.7617    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
   16.9741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
M  END
>  <Mol_ID> (1,260)
1261

>  <Formula> (1,260)
C14H28O2

>  <MolWeight> (1,260)
228.37092

>  <Cat> (1,260)
S5617

>  <Name> (1,260)
Myristic Acid

>  <Form> (1,260)
free base

>  <CAS> (1,260)
544-63-8

$$$$

csChFnd80/06102009132D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,261)
1262

>  <Formula> (1,261)
C16H14N2O2

>  <MolWeight> (1,261)
266.29456

>  <Cat> (1,261)
S2115

>  <Name> (1,261)
RG 13022

>  <Synonyms> (1,261)
Tyrphostin RG13022

>  <Target> (1,261)
EGFR

>  <Form> (1,261)
Free Base

>  <CAS> (1,261)
136831-48-6

>  <URL> (1,261)
http://www.selleck.cn/products/rg-13022.html

$$$$
S9376 Benzylacetone.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,262)
1263

>  <Formula> (1,262)
C10H12O

>  <MolWeight> (1,262)
148.20168

>  <Cat> (1,262)
S9376

>  <Name> (1,262)
Benzylacetone

>  <Form> (1,262)
free base

>  <CAS> (1,262)
2550-26-7

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (1,263)
1264

>  <Formula> (1,263)
C20H18N2O4S

>  <MolWeight> (1,263)
382.43292

>  <Cat> (1,263)
S5807

>  <Name> (1,263)
HMN-176

>  <Synonyms> (1,263)
N/A

>  <Target> (1,263)
Others

>  <Form> (1,263)
Free Base

>  <CAS> (1,263)
173529-10-7

>  <URL> (1,263)
http://www.selleckchem.com/products/hmn-176.html

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,264)
1265

>  <Formula> (1,264)
C30H48O5

>  <MolWeight> (1,264)
488.69912

>  <Cat> (1,264)
S9514

>  <Name> (1,264)
Rotundic acid

>  <Synonyms> (1,264)
Rutundic acid

>  <Target> (1,264)
Others

>  <Form> (1,264)
Free Base

>  <CAS> (1,264)
20137-37-5

>  <URL> (1,264)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (1,265)
1266

>  <Formula> (1,265)
C10H10O2

>  <MolWeight> (1,265)
162.1852

>  <Cat> (1,265)
S6221

>  <Name> (1,265)
Methyl cinnamate

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
Others

>  <Form> (1,265)
free base

>  <CAS> (1,265)
103-26-4

>  <URL> (1,265)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,266)
1267

>  <Formula> (1,266)
C17H16BrN3O2

>  <MolWeight> (1,266)
374.23184

>  <Cat> (1,266)
S6530

>  <Name> (1,266)
EBE-A22

>  <Synonyms> (1,266)
N/A

>  <Target> (1,266)
Others

>  <Form> (1,266)
Free Base

>  <CAS> (1,266)
229476-53-3

>  <URL> (1,266)
http://www.selleck.cn/products/ebe-a22.html

$$$$

csChFnd80/06102009132D

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873305-35-2

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 18 19  1  0  0  0  0
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 17 18  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,271)
1272

>  <Formula> (1,271)
C17H18ClN5O2

>  <MolWeight> (1,271)
359.81012

>  <Cat> (1,271)
S2249

>  <Name> (1,271)
PF 4800567

>  <Synonyms> (1,271)
N/A

>  <Target> (1,271)
Casein Kinase

>  <Form> (1,271)
Free Base

>  <CAS> (1,271)
1188296-52-7

>  <URL> (1,271)
http://www.selleck.cn/products/pf-4800567.html

$$$$

csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  9  1  0  0  0  0
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 12 13  1  0  0  0  0
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 12 20  1  0  0  0  0
 15 20  2  0  0  0  0
 13 21  2  0  0  0  0
 11 14  2  0  0  0  0
  5 11  1  0  0  0  0
 22 23  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,272)
1273

>  <Formula> (1,272)
C18H18N2O3

>  <MolWeight> (1,272)
310.34712

>  <Cat> (1,272)
S6514

>  <Name> (1,272)
SU5408

>  <Synonyms> (1,272)
VEGFR2 Kinase Inhibitor I 

>  <Target> (1,272)
VEGFR

>  <Form> (1,272)
Free Base

>  <CAS> (1,272)
15966-93-5

>  <URL> (1,272)
http://www.selleck.cn/products/su5408.html

$$$$

csChFnd80/06102009132D

 31 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9084    7.0751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2317    8.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4173    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    7.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5453    2.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 17  2  0  0  0  0
  5 25  1  0  0  0  0
  6 31  3  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
 13 22  1  0  0  0  0
 14 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  2  0  0  0  0
 17 23  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,273)
1274

>  <Formula> (1,273)
C25H20N4O2

>  <MolWeight> (1,273)
408.4519

>  <Cat> (1,273)
S6658

>  <Name> (1,273)
ETC-206

>  <Synonyms> (1,273)
ETC-1907206

>  <Target> (1,273)
MNK

>  <Form> (1,273)
Free Base

>  <CAS> (1,273)
1464151-33-4

>  <URL> (1,273)
http://www.selleck.cn/products/etc-206.html

$$$$
Quercetin dihydrate.cdx
csChFnd80/06102009132D

 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
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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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    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
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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
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 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> (1,274)
1275

>  <Formula> (1,274)
C15H14O9

>  <MolWeight> (1,274)
338.26626

>  <Cat> (1,274)
S2347

>  <Name> (1,274)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (1,274)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (1,274)
Others

>  <Form> (1,274)
Dihydrate

>  <CAS> (1,274)
6151-25-3

>  <URL> (1,274)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Danthron.cdx
csChFnd80/06102009132D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    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
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
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 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,275)
1276

>  <Formula> (1,275)
C14H8O4

>  <MolWeight> (1,275)
240.21092

>  <Cat> (1,275)
S4561

>  <Name> (1,275)
Danthron

>  <Synonyms> (1,275)
chrysazin, Antrapurol

>  <Target> (1,275)
Others

>  <Form> (1,275)
Free Base

>  <CAS> (1,275)
117-10-2

>  <URL> (1,275)
http://www.selleckchem.com/products/danthron.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
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 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,276)
1277

>  <Formula> (1,276)
C15H14O3

>  <MolWeight> (1,276)
242.26986

>  <Cat> (1,276)
S3939

>  <Name> (1,276)
4'-Methoxyresveratrol

>  <Synonyms> (1,276)
N/A

>  <Target> (1,276)
Others

>  <Form> (1,276)
free base

>  <CAS> (1,276)
33626-08-3

>  <URL> (1,276)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/06102009132D

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>  <Formula> (1,277)
C35H46O20

>  <MolWeight> (1,277)
786.72774

>  <Cat> (1,277)
S3783

>  <Name> (1,277)
Echinacoside

>  <Synonyms> (1,277)
N/A

>  <Target> (1,277)
Others

>  <Form> (1,277)
free base

>  <CAS> (1,277)
82854-37-3

>  <URL> (1,277)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/06102009132D

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1279

>  <Formula> (1,278)
C18H16O7

>  <MolWeight> (1,278)
344.31544

>  <Cat> (1,278)
S4953

>  <Name> (1,278)
Usnic acid

>  <Synonyms> (1,278)
Usniacin

>  <Target> (1,278)
Others

>  <Form> (1,278)
free base

>  <CAS> (1,278)
125-46-2

>  <URL> (1,278)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/06102009132D

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1280

>  <Formula> (1,279)
C32H40O8

>  <MolWeight> (1,279)
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>  <Cat> (1,279)
S3832

>  <Name> (1,279)
Euphorbiasteroid

>  <Synonyms> (1,279)
Euphorbia factor L1

>  <Target> (1,279)
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>  <Form> (1,279)
free base

>  <CAS> (1,279)
28649-59-4

>  <URL> (1,279)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/06102009132D

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    7.8098    7.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6340    8.8945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1804   10.5624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    3.0193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9188    3.0193    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6340    3.8410    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7383    4.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327    3.8410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9188    2.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    2.0938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8327    4.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6176    5.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3893   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5982   10.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8070   11.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3893   12.6562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0159   10.5624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1277    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5454    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7543    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3245    3.5604    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.9899    3.1511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1411    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.4698    4.6640    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
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 11  1  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 19 30  1  0  0  0  0
 30 17  1  0  0  0  0
 30 31  1  0  0  0  0
 30 33  2  0  0  0  0
 31 32  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,280)
1281

>  <Formula> (1,280)
C18H23N5NaO8P

>  <MolWeight> (1,280)
491.367451

>  <Cat> (1,280)
S7858

>  <Name> (1,280)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (1,280)
dbcAMP

>  <Target> (1,280)
PKA

>  <Form> (1,280)
sodium salt

>  <CAS> (1,280)
16980-89-5

>  <URL> (1,280)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.7109    6.6719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7109    5.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    4.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    5.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2844    6.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    7.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9538    4.8390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1300    5.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9538    7.1047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4989    8.7718    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.2327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2390    1.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9538    2.0539    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0591    2.7563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    2.0539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2390    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    0.3076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9401    3.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476    1.7734    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.3138    1.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    0.7934    2.8765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7356    5.9717    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
 15 11  1  0  0  0  0
 12 16  1  1  0  0  0
 11 17  1  1  0  0  0
 15 18  1  0  0  0  0
 13  7  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
  8 24  1  0  0  0  0
 21 22  1  0  0  0  0
M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,281)
1282

>  <Formula> (1,281)
C10H10BrN5NaO6P

>  <MolWeight> (1,281)
430.083831

>  <Cat> (1,281)
S7857

>  <Name> (1,281)
8-Bromo-cAMP

>  <Synonyms> (1,281)
N/A

>  <Target> (1,281)
PKA

>  <Form> (1,281)
sodium salt

>  <CAS> (1,281)
76939-46-3

>  <URL> (1,281)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$

csChFnd80/06102009132D

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   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
    8.4869    2.1002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  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  3  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,282)
1283

>  <Formula> (1,282)
C10H8N2O3

>  <MolWeight> (1,282)
204.18212

>  <Cat> (1,282)
S1054

>  <Name> (1,282)
AG99

>  <Synonyms> (1,282)
Tyrphostin 46,Tyrphostin A46,Tyrphostin B40

>  <Target> (1,282)
EGFR

>  <Form> (1,282)
Free Base

>  <CAS> (1,282)
122520-85-8

>  <URL> (1,282)
http://www.selleck.cn/products/ag99.html

$$$$

csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.1925    3.6801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4162    3.3845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0156    3.3845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4479    1.2759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9485   13.2414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279    9.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7145    6.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279   11.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7145    5.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   11.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476    4.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    9.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9287    9.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    7.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9366    7.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2380    2.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5210   13.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5813    4.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6261    2.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546   13.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296   13.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0187   11.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8360    1.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8815    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 18  2  0  0  0  0
  4 21  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  2  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,283)
1284

>  <Formula> (1,283)
C22H20N4O

>  <MolWeight> (1,283)
356.4204

>  <Cat> (1,283)
S1058

>  <Name> (1,283)
BI-1347

>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
CDK

>  <Form> (1,283)
Free Base

>  <CAS> (1,283)
2163056-91-3

>  <URL> (1,283)
http://www.selleck.cn/products/bi-1347.html

$$$$

csChFnd80/06102009132D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.2372    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6263    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2072    3.1584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4345    5.5644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505    6.4822    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8303    5.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5303    4.2247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9033    4.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0483    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2566    6.6025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.2751   10.8094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0520   10.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2566    7.9978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9018    8.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9018   10.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6870   10.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1349   10.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3695   10.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5644   10.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7794   10.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1964   12.7981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9844   12.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9844   10.7304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2251   10.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4389   10.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4389   12.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    3.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0351    3.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0124    2.1482    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
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 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
 11 20  2  0  0  0  0
 15 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 22  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 25 30  1  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 10 14  1  0  0  0  0
  9 10  1  0  0  0  0
  4  6  1  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 36  1  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
  1 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,284)
1285

>  <Formula> (1,284)
C25H27N7O3S2

>  <MolWeight> (1,284)
537.65698

>  <Cat> (1,284)
S1099

>  <Name> (1,284)
SKLB4771 /FLT3-IN-1

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
FLT3

>  <Form> (1,284)
Free Base

>  <CAS> (1,284)
1370256-78-2

>  <URL> (1,284)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$

csChFnd80/06102009132D

 34 37  0  0  0  0  0  0  0  0999 V2000
   16.9044    7.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6920    7.1449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.3920    5.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9920    8.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4795    6.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4795    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2671    4.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2671    2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4795    2.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6920    2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6920    4.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0547    5.0449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4132    4.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6298    5.0449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8422    4.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8422    2.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6298    2.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0338    0.6705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0547    2.2449    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2858    0.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 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
 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 26 31  1  0  0  0  0
 23 28  1  0  0  0  0
 21 32  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 16 33  1  0  0  0  0
 12 15  1  0  0  0  0
  7 12  1  0  0  0  0
  5  6  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,285)
1286

>  <Formula> (1,285)
C22H25FN6O4S

>  <MolWeight> (1,285)
488.5351032

>  <Cat> (1,285)
S2002

>  <Name> (1,285)
CZC-25146

>  <Synonyms> (1,285)
N/A

>  <Target> (1,285)
LRRK2

>  <Form> (1,285)
Free Base

>  <CAS> (1,285)
1191911-26-8

>  <URL> (1,285)
http://www.selleck.cn/products/czc-25146.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/06102009132D

 20 17  0  0  0  0  0  0  0  0999 V2000
    4.7611    3.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3521    3.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2131    5.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5731    2.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282    5.0829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5143    2.5760    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0767    5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5423    5.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9921    1.2735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.6080    5.5489    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7231    1.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4104    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2700    0.6897    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3514    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444    4.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    7.3911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5820    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.9024    0.0211    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6829    0.6064    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5646    6.4399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 14 16  1  0  0  0  0
  5 20  1  6  0  0  0
M  END
>  <Mol_ID> (1,286)
1287

>  <Formula> (1,286)
C6H6Na3O9P

>  <MolWeight> (1,286)
322.049511

>  <Cat> (1,286)
S5115

>  <Name> (1,286)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (1,286)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (1,286)
Others

>  <Form> (1,286)
sodium salt

>  <CAS> (1,286)
66170-10-3

>  <URL> (1,286)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/06102009132D

 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
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    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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  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> (1,287)
1288

>  <Formula> (1,287)
C22H42O2

>  <MolWeight> (1,287)
338.56768

>  <Cat> (1,287)
S5383

>  <Name> (1,287)
Erucic acid

>  <Synonyms> (1,287)
cis-13-docosenoic acid

>  <Target> (1,287)
Others

>  <Form> (1,287)
free base

>  <CAS> (1,287)
112-86-7

>  <URL> (1,287)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5588 Creatine.cdx
csChFnd80/06102009132D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,288)
1289

>  <Formula> (1,288)
C4H9N3O2

>  <MolWeight> (1,288)
131.13316

>  <Cat> (1,288)
S5588

>  <Name> (1,288)
Creatine

>  <Synonyms> (1,288)
Methylguanidoacetic acid

>  <Target> (1,288)
Others

>  <Form> (1,288)
free base

>  <CAS> (1,288)
57-00-1

>  <URL> (1,288)
http://selleckchem.com/products/creatine.html

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/06102009132D

 65 73  0  0  0  0  0  0  0  0999 V2000
   12.1362   10.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    9.2065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3470    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5648   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3470   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865    9.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9865   10.6052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7686   11.3011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2041   11.3011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2041   12.7067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9865   13.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686   12.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   13.4026    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6189   12.7067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6189   11.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   14.8013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8366   13.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8366   14.8013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5648   12.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2041   14.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    8.5037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9797    7.6963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9797    6.2976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1905    5.5949    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4014    6.2976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4014    7.6963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1905    8.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7689    8.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1905    4.1961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6192    5.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7689    5.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510    7.6963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081   12.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7686    9.9024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MolWeight> (1,289)
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>  <Cat> (1,289)
S9114

>  <Name> (1,289)
Polyphyllin I

>  <Form> (1,289)
free base

>  <CAS> (1,289)
50773-41-6

$$$$

csChFnd80/06102009132D

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1291

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>  <MolWeight> (1,290)
551.85754

>  <Cat> (1,290)
S6660

>  <Name> (1,290)
B-Raf inhibitor 1 dihydrochlorid

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
Raf

>  <Form> (1,290)
Dihydrochloride

>  <CAS> (1,290)
1191385-19-9

>  <URL> (1,290)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

$$$$

csChFnd80/06102009132D

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>  <Formula> (1,291)
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>  <MolWeight> (1,291)
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>  <Cat> (1,291)
S6662

>  <Name> (1,291)
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>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
FLT3

>  <Form> (1,291)
Free Base

>  <CAS> (1,291)
630124-46-8

>  <URL> (1,291)
http://www.selleck.cn/products/ast-487.html

$$$$

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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,296)
1297

>  <Formula> (1,296)
C21H23N4O7PS2

>  <MolWeight> (1,296)
538.533681

>  <Cat> (1,296)
S8927

>  <Name> (1,296)
GSK2983559 (compound 3)

>  <Synonyms> (1,296)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,296)
RIP

>  <Form> (1,296)
Free Base

>  <CAS> (1,296)
1579965-12-0

>  <URL> (1,296)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/06102009132D

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 10  5  1  0  0  0  0
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 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 37 38  1  6  0  0  0
 36 39  1  6  0  0  0
 35 40  1  1  0  0  0
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 42 27  1  1  0  0  0
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 47 42  1  0  0  0  0
 45 48  1  1  0  0  0
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 47 50  1  6  0  0  0
 46 51  1  6  0  0  0
M  END
>  <Mol_ID> (1,297)
1298

>  <Formula> (1,297)
C33H40O18

>  <MolWeight> (1,297)
724.6599

>  <Cat> (1,297)
S9096

>  <Name> (1,297)
ligustroflavone

>  <Synonyms> (1,297)
Nuezhenoside

>  <Target> (1,297)
AMPK

>  <Form> (1,297)
Free Base

>  <CAS> (1,297)
260413-62-5

>  <URL> (1,297)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/06102009132D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2744    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,298)
1299

>  <Formula> (1,298)
C29H28F3N5O2

>  <MolWeight> (1,298)
535.5601296

>  <Cat> (1,298)
S2213

>  <Name> (1,298)
AMG-47a

>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
Src

>  <Form> (1,298)
Free Base

>  <CAS> (1,298)
882663-88-9

>  <URL> (1,298)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,299)
1300

>  <Formula> (1,299)
C17H15NO3

>  <MolWeight> (1,299)
281.3059

>  <Cat> (1,299)
S2272

>  <Name> (1,299)
Indoprofen

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
PDK

>  <Form> (1,299)
Free Base

>  <CAS> (1,299)
31842-01-0

>  <URL> (1,299)
http://www.selleck.cn/products/indoprofen.html

$$$$
Diosmetin.cdx
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    4.1927    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
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   12.1075    5.5927    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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  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,300)
1301

>  <Formula> (1,300)
C16H12O6

>  <MolWeight> (1,300)
300.26288

>  <Cat> (1,300)
S2380

>  <Name> (1,300)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (1,300)
Luteolin 4-methyl ether

>  <Target> (1,300)
P450 (e.g. CYP17)

>  <Form> (1,300)
Free Base

>  <CAS> (1,300)
520-34-3

>  <URL> (1,300)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/06102009132D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,301)
1302

>  <Formula> (1,301)
C11H18ClNO3

>  <MolWeight> (1,301)
247.71852

>  <Cat> (1,301)
S2566

>  <Name> (1,301)
Isoprenaline hydrochloride

>  <Synonyms> (1,301)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (1,301)
Adrenergic Receptor

>  <Form> (1,301)
Hydrochloride

>  <CAS> (1,301)
51-30-9

>  <URL> (1,301)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

$$$$
LY2608204.cdx
csChFnd80/06102009132D

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 21 16  1  0  0  0  0
 13 22  1  1  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  1  0  0  0  0
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 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
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M  END
>  <Mol_ID> (1,302)
1303

>  <Formula> (1,302)
C28H37N3O3S3

>  <MolWeight> (1,302)
559.80668

>  <Cat> (1,302)
S2155

>  <Name> (1,302)
LY2608204

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
Others

>  <Form> (1,302)
Free Base

>  <CAS> (1,302)
1234703-40-2

>  <URL> (1,302)
http://www.selleckchem.com/products/ly2608204.html

$$$$
Acarbose.cdx
csChFnd80/06102009132D

 44 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,303)
1304

>  <Formula> (1,303)
C25H43NO18

>  <MolWeight> (1,303)
645.60482

>  <Cat> (1,303)
S1271

>  <Name> (1,303)
Acarbose

>  <Synonyms> (1,303)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (1,303)
Others

>  <Form> (1,303)
Free Base

>  <CAS> (1,303)
56180-94-0

>  <URL> (1,303)
http://www.selleckchem.com/products/Acarbose.html

$$$$
Melatonin.cdx
csChFnd80/06102009132D

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    1.3927    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Melatonin

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Melatonex

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MT Receptor

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Free Base

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73-31-4

>  <URL> (1,304)
http://www.selleckchem.com/products/Melatonin.html

$$$$
Flufenamic acid.cdx
csChFnd80/06102009132D

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C14H10F3NO2

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S4268

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Flufenamic acid

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
COX

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Free Base

>  <CAS> (1,305)
530-78-9

>  <URL> (1,305)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/06102009132D

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C44H69NO12

>  <MolWeight> (1,306)
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>  <Cat> (1,306)
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>  <Synonyms> (1,306)
FR900506

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mTOR

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>  <CAS> (1,306)
104987-11-3

>  <URL> (1,306)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$

csChFnd80/06102009132D

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Free Base

>  <CAS> (1,307)
1919820-28-2

>  <URL> (1,307)
http://www.selleck.cn/products/lti-291.html

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M  END
>  <Mol_ID> (1,308)
1309

>  <Formula> (1,308)
C7H6O3

>  <MolWeight> (1,308)
138.12074

>  <Cat> (1,308)
S3626

>  <Name> (1,308)
Sesamol

>  <Synonyms> (1,308)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (1,308)
Others

>  <Form> (1,308)
free base

>  <CAS> (1,308)
533-31-3

>  <URL> (1,308)
http://www.selleckchem.com/products/sesamol.html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6155    4.5793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3918    5.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    5.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    5.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    1.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2140    1.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0155    4.5803    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4228    5.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2119    3.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3471    4.6019    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  2  5  2  0  0  0  0
  4  2  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  4  2  0  0  0  0
 18  4  2  0  0  0  0
 21  5  1  0  0  0  0
  8  6  1  0  0  0  0
 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
  7 10  2  0  0  0  0
 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
 12 11  2  0  0  0  0
 22 11  1  0  0  0  0
 15 12  1  0  0  0  0
 12 14  1  0  0  0  0
 14 13  2  0  0  0  0
 25 15  1  0  0  0  0
 26 15  1  0  0  0  0
 15 23  1  0  0  0  0
 24 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,309)
1310

>  <Formula> (1,309)
C19H17NaO6S

>  <MolWeight> (1,309)
396.38945

>  <Cat> (1,309)
S3766

>  <Name> (1,309)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
CYP3A4

>  <Form> (1,309)
sodium salt

>  <CAS> (1,309)
69659-80-9

>  <URL> (1,309)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   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
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
1311

>  <Formula> (1,310)
C17H14O5

>  <MolWeight> (1,310)
298.29006

>  <Cat> (1,310)
S3918

>  <Name> (1,310)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (1,310)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (1,310)
Others

>  <Form> (1,310)
free base

>  <CAS> (1,310)
5128-44-9

>  <URL> (1,310)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3980 Pyridoxine.cdx
csChFnd80/06102009132D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,311)
1312

>  <Formula> (1,311)
C8H11NO3

>  <MolWeight> (1,311)
169.17784

>  <Cat> (1,311)
S3980

>  <Name> (1,311)
Pyridoxine

>  <Synonyms> (1,311)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (1,311)
Others

>  <Form> (1,311)
free base

>  <CAS> (1,311)
65-23-6

>  <URL> (1,311)
http://www.selleckchem.com/products/pyridoxine.html

$$$$
STATTIC.cdx
csChFnd80/06102009132D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    3.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    3.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,312)
1313

>  <Formula> (1,312)
C8H5NO4S

>  <MolWeight> (1,312)
211.1946

>  <Cat> (1,312)
S7024

>  <Name> (1,312)
Stattic

>  <Synonyms> (1,312)
N/A

>  <Target> (1,312)
STAT

>  <Form> (1,312)
Free Base

>  <CAS> (1,312)
19983-44-9

>  <URL> (1,312)
http://www.selleckchem.com/products/stattic.html

$$$$
ZCL 278.cdx
csChFnd80/06102009132D

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    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 N   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
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 S   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
    5.0722    5.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    5.8899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    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
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  2  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 28 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,313)
1314

>  <Formula> (1,313)
C21H19BrClN5O4S2

>  <MolWeight> (1,313)
584.89366

>  <Cat> (1,313)
S7293

>  <Name> (1,313)
ZCL 278

>  <Synonyms> (1,313)
N/A

>  <Target> (1,313)
Rho

>  <Form> (1,313)
Free Base

>  <CAS> (1,313)
587841-73-4

>  <URL> (1,313)
http://www.selleckchem.com/products/zcl278.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/06102009132D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (1,314)
C17H22Cl2N2O3S

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S7333

>  <Name> (1,314)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (1,314)
N/A

>  <Target> (1,314)
Rho

>  <Form> (1,314)
Free Base

>  <CAS> (1,314)
No

>  <URL> (1,314)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
WS6 .cdx
csChFnd80/06102009132D

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>  <Mol_ID> (1,315)
1316

>  <Formula> (1,315)
C29H31F3N6O3

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>  <Name> (1,315)
WS6

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>  <Target> (1,315)
I¦ÊB/IKK

>  <Form> (1,315)
Free Base

>  <CAS> (1,315)
1421227-53-3

>  <URL> (1,315)
http://www.selleckchem.com/products/ws6.html

$$$$
WS3.cdx
csChFnd80/06102009132D

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I¦ÊB/IKK

>  <Form> (1,316)
Free Base

>  <CAS> (1,316)
1421227-52-2

>  <URL> (1,316)
http://www.selleckchem.com/products/ws3.html

$$$$
ML141.cdx
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M  END
>  <Mol_ID> (1,322)
1323

>  <Formula> (1,322)
C33H45Cl4N3O2

>  <MolWeight> (1,322)
657.5413

>  <Cat> (1,322)
S8597

>  <Name> (1,322)
LYN-1604

>  <Synonyms> (1,322)
N/A

>  <Target> (1,322)
ULK1

>  <Form> (1,322)
dihydrochloride

>  <CAS> (1,322)
2088939-99-3(free base)

>  <URL> (1,322)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,323)
1324

>  <Formula> (1,323)
C10H12N4O3

>  <MolWeight> (1,323)
236.22728

>  <Cat> (1,323)
S5084

>  <Name> (1,323)
Carbazochrome

>  <Synonyms> (1,323)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (1,323)
Others

>  <Form> (1,323)
free base

>  <CAS> (1,323)
69-81-8

>  <URL> (1,323)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/06102009132D

 27 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,324)
1325

>  <Formula> (1,324)
C19H11Cl2I2NO3

>  <MolWeight> (1,324)
626.01048

>  <Cat> (1,324)
S5093

>  <Name> (1,324)
Rafoxanide

>  <Synonyms> (1,324)
Disalan, Ranide, Flukanide, Bovanide

>  <Target> (1,324)
Anti-infection

>  <Form> (1,324)
free base

>  <CAS> (1,324)
22662-39-1

>  <URL> (1,324)
http://selleckchem.com/products/rafoxanide.html

$$$$
AS1517499.cdx
csChFnd80/06102009132D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,325)
1326

>  <Formula> (1,325)
C20H20ClN5O2

>  <MolWeight> (1,325)
397.8581

>  <Cat> (1,325)
S8685

>  <Name> (1,325)
AS1517499

>  <Synonyms> (1,325)
N/A

>  <Target> (1,325)
STAT

>  <Form> (1,325)
free base

>  <CAS> (1,325)
919486-40-1

>  <URL> (1,325)
http://selleckchem.com/products/as1517499.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/06102009132D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,326)
1327

>  <Formula> (1,326)
C21H28O2

>  <MolWeight> (1,326)
312.44582

>  <Cat> (1,326)
S3792

>  <Name> (1,326)
Guggulsterone E&Z

>  <Synonyms> (1,326)
N/A

>  <Target> (1,326)
FXR

>  <Form> (1,326)
free base

>  <CAS> (1,326)
95975-55-6

>  <URL> (1,326)
http://selleckchem.com/products/guggulsterone.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/06102009132D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,327)
1328

>  <Formula> (1,327)
C10H6O4

>  <MolWeight> (1,327)
190.15224

>  <Cat> (1,327)
S9361

>  <Name> (1,327)
Coumarin-3-carboxylic acid

>  <Form> (1,327)
free base

>  <CAS> (1,327)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.8569    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,328)
1329

>  <Formula> (1,328)
C10H14N5O7P

>  <MolWeight> (1,328)
347.221221

>  <Cat> (1,328)
S9366

>  <Name> (1,328)
5'-Adenylic acid

>  <Form> (1,328)
free base

>  <CAS> (1,328)
61-19-8

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/06102009132D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,329)
1330

>  <Formula> (1,329)
C6H13NO3

>  <MolWeight> (1,329)
147.17232

>  <Cat> (1,329)
S9393

>  <Name> (1,329)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (1,329)
free base

>  <CAS> (1,329)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/06102009132D

 29 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,330)
1331

>  <Formula> (1,330)
C20H20O6

>  <MolWeight> (1,330)
356.3692

>  <Cat> (1,330)
S9406

>  <Name> (1,330)
Sauchinone

>  <CAS> (1,330)
177931-17-8

$$$$
S9071 Nootkatone.cdx
csChFnd80/06102009132D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6371    2.1020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,331)
1332

>  <Formula> (1,331)
C15H22O

>  <MolWeight> (1,331)
218.33458

>  <Cat> (1,331)
S9071

>  <Name> (1,331)
Nootkatone

>  <Form> (1,331)
free base

>  <CAS> (1,331)
4674-50-4

$$$$
S9092 Norisoboldine.cdx
csChFnd80/06102009132D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8494    2.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,332)
1333

>  <Formula> (1,332)
C18H19NO4

>  <MolWeight> (1,332)
313.34776

>  <Cat> (1,332)
S9092

>  <Name> (1,332)
Norisoboldine

>  <Form> (1,332)
free base

>  <CAS> (1,332)
23599-69-1

$$$$

csChFnd80/06102009132D

 25 28  0  0  0  0  0  0  0  0999 V2000
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1898283-02-7

>  <URL> (1,341)
http://www.selleckchem.com/products/ly3200882.html

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24211-30-1

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 20 15  1  0  0  0  0
 16  1  1  0  0  0  0
  2 21  1  0  0  0  0
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  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,343)
1344

>  <Formula> (1,343)
C18H12CrN3O6

>  <MolWeight> (1,343)
418.30048

>  <Cat> (1,343)
S6443

>  <Name> (1,343)
Chromium picolinate

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Others

>  <Form> (1,343)
Free Base

>  <CAS> (1,343)
14639-25-9

>  <URL> (1,343)
http://www.selleck.cn/products/chromium-picolinate.html

$$$$

csChFnd80/06102009132D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4268    3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  5 10  2  0  0  0  0
  5  7  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,344)
1345

>  <Formula> (1,344)
C12H12O2

>  <MolWeight> (1,344)
188.22248

>  <Cat> (1,344)
S6493

>  <Name> (1,344)
n-Butylidenephthalide

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Others

>  <Form> (1,344)
free base

>  <CAS> (1,344)
551-08-6

>  <URL> (1,344)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/06102009132D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
 10 11  1  0  0  0  0
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 12 14  3  0  0  0  0
M  END
>  <Mol_ID> (1,345)
1346

>  <Formula> (1,345)
C9H5ClN4

>  <MolWeight> (1,345)
204.6158

>  <Cat> (1,345)
S6494

>  <Name> (1,345)
CCCP

>  <Synonyms> (1,345)
Carbonyl cyanide m-chlorophenyl hydrazone

>  <Target> (1,345)
Others

>  <Form> (1,345)
free base

>  <CAS> (1,345)
555-60-2

>  <URL> (1,345)
http://www.selleck.cn/products/cccp.html

$$$$

csChFnd80/06102009132D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  2  0  0  0  0
 11  1  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
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 21 25  1  0  0  0  0
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 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,346)
1347

>  <Formula> (1,346)
C24H38N2O4

>  <MolWeight> (1,346)
418.56952

>  <Cat> (1,346)
S6496

>  <Name> (1,346)
Genz-123346 free base

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
Others

>  <Form> (1,346)
free base

>  <CAS> (1,346)
491833-30-8

>  <URL> (1,346)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

csChFnd80/06102009132D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    7.7544    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,347)
1348

>  <Formula> (1,347)
C9H6OS3

>  <MolWeight> (1,347)
226.33834

>  <Cat> (1,347)
S6518

>  <Name> (1,347)
Desmethylanethol trithione

>  <Synonyms> (1,347)
ADT-OH

>  <Target> (1,347)
Others

>  <Form> (1,347)
free base

>  <CAS> (1,347)
18274-81-2

>  <URL> (1,347)
http://www.selleck.cn/products/desmethylanethol-trithione.html

$$$$

csChFnd80/06102009132D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,348)
1349

>  <Formula> (1,348)
C14H9F4N5O4S

>  <MolWeight> (1,348)
419.3109728

>  <Cat> (1,348)
S6527

>  <Name> (1,348)
Kobe2602

>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
Rho

>  <Form> (1,348)
free base

>  <CAS> (1,348)
454453-49-7

>  <URL> (1,348)
http://www.selleck.cn/products/kobe2602.html

$$$$

csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   10.9119    5.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.1725    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
  8 16  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  2  0  0  0  0
 17 28  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,354)
1355

>  <Formula> (1,354)
C27H29NO3

>  <MolWeight> (1,354)
415.52406

>  <Cat> (1,354)
S6713

>  <Name> (1,354)
ITD-1

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
TGF-beta/Smad

>  <Form> (1,354)
Free Base

>  <CAS> (1,354)
1099644-42-4

>  <URL> (1,354)
http://www.selleck.cn/products/itd-1.html

$$$$

csChFnd80/06102009132D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8415    2.0952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6565    2.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8691    2.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4792    2.8201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4431    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2581    2.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    2.1428    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
    4.8415    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
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,355)
1356

>  <Formula> (1,355)
C15H16N2O

>  <MolWeight> (1,355)
240.30034

>  <Cat> (1,355)
S6714

>  <Name> (1,355)
INH14

>  <Synonyms> (1,355)
N/A

>  <Target> (1,355)
NF-¦ÊB

>  <Form> (1,355)
Free Base

>  <CAS> (1,355)
200134-22-1

>  <URL> (1,355)
http://www.selleck.cn/products/inh14.html

$$$$

csChFnd80/06102009132D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  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 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,356)
1357

>  <Formula> (1,356)
C21H25N3O4

>  <MolWeight> (1,356)
383.4409

>  <Cat> (1,356)
S2184

>  <Name> (1,356)
WDR5-0103

>  <Synonyms> (1,356)
WD-Repeat Protein 5-0103

>  <Target> (1,356)
Histone Methyltransferase

>  <Form> (1,356)
Free Base

>  <CAS> (1,356)
890190-22-4

>  <URL> (1,356)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/06102009132D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (1,357)
1358

>  <Formula> (1,357)
C18H37NO2

>  <MolWeight> (1,357)
299.49188

>  <Cat> (1,357)
S2210

>  <Name> (1,357)
Sphingosine

>  <Synonyms> (1,357)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,357)
Others

>  <Form> (1,357)
Free Base

>  <CAS> (1,357)
123-78-4

>  <URL> (1,357)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/06102009132D

 60 66  0  0  0  0  0  0  0  0999 V2000
   15.3605    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    5.4122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.3605    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3605    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1481    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2483    9.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0479    9.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9357    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9357    6.1124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9357    4.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7231    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2984    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2984    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2984    2.6123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5572    5.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1361    2.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8736    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5735    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Name> (1,358)
Chikusetsusaponin Iva

>  <Synonyms> (1,358)
Calenduloside F

>  <Target> (1,358)
Immunology & Inflammation related

>  <Form> (1,358)
Free Base

>  <CAS> (1,358)
51415-02-2

>  <URL> (1,358)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

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>  <MolWeight> (1,359)
785.01328

>  <Cat> (1,359)
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>  <Name> (1,359)
(20S)Ginsenoside Rg2

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Others

>  <Form> (1,359)
Free Base

>  <CAS> (1,359)
52286-74-5

>  <URL> (1,359)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

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>  <Cat> (1,360)
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>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
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>  <Form> (1,360)
Free Base

>  <CAS> (1,360)
20311-51-7

>  <URL> (1,360)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/06102009132D

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>  <Mol_ID> (1,361)
1362

>  <Formula> (1,361)
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>  <MolWeight> (1,361)
682.66628

>  <Cat> (1,361)
S9215

>  <Name> (1,361)
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>  <Synonyms> (1,361)
N/A

>  <Target> (1,361)
Others

>  <Form> (1,361)
Free Base

>  <CAS> (1,361)
63902-38-5

>  <URL> (1,361)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$
WAY-311677
csChFnd80/06102009132D

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>  <Mol_ID> (1,362)
1363

>  <Formula> (1,362)
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>  <MolWeight> (1,362)
295.35892

>  <Cat> (1,362)
P3735

>  <Name> (1,362)
WAY-311677

>  <Synonyms> (1,362)
N/A

>  <Target> (1,362)
FAK

>  <Form> (1,362)
free base

>  <CAS> (1,362)
19948-85-7

>  <URL> (1,362)
N/A

$$$$
CL-243214
csChFnd80/06102009132D

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>  <Mol_ID> (1,363)
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>  <Formula> (1,363)
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>  <MolWeight> (1,363)
258.2957

>  <Cat> (1,363)
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>  <Name> (1,363)
CL-243214

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
others

>  <Form> (1,363)
free base

>  <CAS> (1,363)
333785-55-0

>  <URL> (1,363)
N/A

$$$$
WAY-312187
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,364)
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WAY-312187

>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
Pim-1

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free base

>  <CAS> (1,364)
1609385-99-0

>  <URL> (1,364)
N/A

$$$$
WAY-230563
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,365)
1366

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C17H12N2O2S

>  <MolWeight> (1,365)
308.35438

>  <Cat> (1,365)
P3758

>  <Name> (1,365)
WAY-230563

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
serine/threonine kinase

>  <Form> (1,365)
free base

>  <CAS> (1,365)
93326-70-6

>  <URL> (1,365)
N/A

$$$$
WAY-235142
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,366)
1367

>  <Formula> (1,366)
C17H18N2O

>  <MolWeight> (1,366)
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>  <Cat> (1,366)
P3701

>  <Name> (1,366)
WAY-235142

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
MtSk

>  <Form> (1,366)
free base

>  <CAS> (1,366)
380550-28-7

>  <URL> (1,366)
N/A

$$$$
WAY-311747
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,367)
1368

>  <Formula> (1,367)
C16H21N3O2

>  <MolWeight> (1,367)
287.35684

>  <Cat> (1,367)
P3732

>  <Name> (1,367)
WAY-311747

>  <Synonyms> (1,367)
N/A

>  <Target> (1,367)
MtSk

>  <Form> (1,367)
free base

>  <CAS> (1,367)
381671-40-5

>  <URL> (1,367)
N/A

$$$$
WAY-312484
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,368)
1369

>  <Formula> (1,368)
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>  <MolWeight> (1,368)
255.27522

>  <Cat> (1,368)
P3700

>  <Name> (1,368)
WAY-312484

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
EGFR

>  <Form> (1,368)
free base

>  <CAS> (1,368)
91769-08-3

>  <URL> (1,368)
N/A

$$$$
WAY-311753-A
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,369)
1370

>  <Formula> (1,369)
C16H15N3OS

>  <MolWeight> (1,369)
297.3748

>  <Cat> (1,369)
P3757

>  <Name> (1,369)
WAY-311753-A

>  <Synonyms> (1,369)
N/A

>  <Target> (1,369)
tyrosine kinase

>  <Form> (1,369)
free base

>  <CAS> (1,369)
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WAY-310586-A
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TAOK2

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315705-95-4

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N/A

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WAY-115880
csChFnd80/06102009132D

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FLT3

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142995-02-6

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N/A

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WAY-297848
csChFnd80/06102009132D

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glucokinase

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404360-27-6

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N/A

$$$$
GI-568769
csChFnd80/06102009132D

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free base

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62001-32-5

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N/A

$$$$
WAY-298129
csChFnd80/06102009132D

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free base

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719277-26-6

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N/A

$$$$
WAY-299338
csChFnd80/06102009132D

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PDK1

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free base

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1005044-23-4

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N/A

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WAY-322454
csChFnd80/06102009132D

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GRK6

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free base

>  <CAS> (1,376)
1008244-02-7

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N/A

$$$$
WAY-119064
csChFnd80/06102009132D

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WAY-119064

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INK4C

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free base

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1198098-03-1

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N/A

$$$$
WAY-215718
csChFnd80/06102009132D

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>  <Mol_ID> (1,378)
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WAY-215718

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N/A

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5-HT Receptor,pp6othersc-Src tyrosine kinase

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free base

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128175-06-4

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N/A

$$$$
WAY-300046
csChFnd80/06102009132D

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>  <Mol_ID> (1,379)
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>  <Name> (1,379)
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>  <Synonyms> (1,379)
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>  <Target> (1,379)
LtaS,herpes simplex viruses thymidine kinase

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free base

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41648-10-6

>  <URL> (1,379)
N/A

$$$$
WAY-300063
csChFnd80/06102009132D

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>  <Mol_ID> (1,380)
1381

>  <Formula> (1,380)
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>  <Cat> (1,380)
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>  <Name> (1,380)
WAY-300063

>  <Synonyms> (1,380)
N/A

>  <Target> (1,380)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,380)
free base

>  <CAS> (1,380)
296888-45-4

>  <URL> (1,380)
N/A

$$$$
WAY-299819
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,381)
1382

>  <Formula> (1,381)
C12H10ClNOS

>  <MolWeight> (1,381)
251.7319

>  <Cat> (1,381)
P3687

>  <Name> (1,381)
WAY-299819

>  <Synonyms> (1,381)
N/A

>  <Target> (1,381)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (1,381)
free base

>  <CAS> (1,381)
346663-56-7

>  <URL> (1,381)
N/A

$$$$
WAY-300700
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,382)
1383

>  <Formula> (1,382)
C19H22N2O2

>  <MolWeight> (1,382)
310.39018

>  <Cat> (1,382)
P3751

>  <Name> (1,382)
WAY-300700

>  <Synonyms> (1,382)
N/A

>  <Target> (1,382)
HIV-1

>  <Form> (1,382)
free base

>  <CAS> (1,382)
428853-17-2

>  <URL> (1,382)
N/A

$$$$
WAY-300744
csChFnd80/06102009132D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,383)
1384

>  <Formula> (1,383)
C14H12Cl2N2O2S

>  <MolWeight> (1,383)
343.22828

>  <Cat> (1,383)
P3773

>  <Name> (1,383)
WAY-300744

>  <Synonyms> (1,383)
N/A

>  <Target> (1,383)
kinase

>  <Form> (1,383)
free base

>  <CAS> (1,383)
314284-06-5

>  <URL> (1,383)
N/A

$$$$
WAY-301205
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    4.0517    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,384)
1385

>  <Formula> (1,384)
C16H20N2O2S2

>  <MolWeight> (1,384)
336.4722

>  <Cat> (1,384)
P3772

>  <Name> (1,384)
WAY-301205

>  <Synonyms> (1,384)
N/A

>  <Target> (1,384)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,384)
free base

>  <CAS> (1,384)
330181-93-6

>  <URL> (1,384)
N/A

$$$$
WAY-301300
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.4931    0.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4828   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2138    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,385)
1386

>  <Formula> (1,385)
C16H17NO4

>  <MolWeight> (1,385)
287.31048

>  <Cat> (1,385)
P3726

>  <Name> (1,385)
WAY-301300

>  <Synonyms> (1,385)
N/A

>  <Target> (1,385)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,385)
free base

>  <CAS> (1,385)
935279-95-1

>  <URL> (1,385)
N/A

$$$$
WAY-301398
csChFnd80/06102009132D

 21 22  0  0  0  0  0  0  0  0999 V2000
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   -0.9207    1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414    1.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3517   -1.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9276    2.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3483    2.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5586   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3655   -3.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5828   -3.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9310    1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,386)
1387

>  <Formula> (1,386)
C16H13FO4

>  <MolWeight> (1,386)
288.2704232

>  <Cat> (1,386)
P3750

>  <Name> (1,386)
WAY-301398

>  <Synonyms> (1,386)
N/A

>  <Target> (1,386)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,386)
free base

>  <CAS> (1,386)
312607-68-4

>  <URL> (1,386)
N/A

$$$$
WAY-301464
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6698    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698    1.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2613    0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6008   -0.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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WAY-301503
csChFnd80/06102009132D

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N/A

$$$$
WAY-118985
csChFnd80/06102009132D

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315704-83-7

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$$$$
WAY-302159
csChFnd80/06102009132D

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62802-77-1

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N/A

$$$$
WAY-302713-A
csChFnd80/06102009132D

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free base

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443747-52-2

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N/A

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WAY-302888
csChFnd80/06102009132D

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WAY-303290
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free base

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323176-64-3

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N/A

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WAY-303292
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333441-11-5

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WAY-304800-A
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free base

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345616-08-2

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N/A

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WAY-305025
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Mnk

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457911-10-3

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N/A

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WAY-383487
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748146-89-6

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N/A

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M  END
>  <Mol_ID> (1,398)
1399

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292.3336

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WAY-232261

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
 PI3K

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free base

>  <CAS> (1,398)
332023-13-9

>  <URL> (1,398)
N/A

$$$$
WAY-340245
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,399)
1400

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C13H12N2O4S

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292.31038

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P3716

>  <Name> (1,399)
WAY-340245

>  <Synonyms> (1,399)
N/A

>  <Target> (1,399)
ERK

>  <Form> (1,399)
free base

>  <CAS> (1,399)
350509-85-2

>  <URL> (1,399)
N/A

$$$$
WAY-340935
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,400)
1401

>  <Formula> (1,400)
C15H11BrN2O

>  <MolWeight> (1,400)
315.16464

>  <Cat> (1,400)
P3744

>  <Name> (1,400)
WAY-340935

>  <Synonyms> (1,400)
N/A

>  <Target> (1,400)
VEGFR2 kinase

>  <Form> (1,400)
free base

>  <CAS> (1,400)
737818-56-3

>  <URL> (1,400)
N/A

$$$$
WAY-341085
csChFnd80/06102009132D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,401)
1402

>  <Formula> (1,401)
C19H16N2O3S

>  <MolWeight> (1,401)
352.40694

>  <Cat> (1,401)
P3769

>  <Name> (1,401)
WAY-341085

>  <Synonyms> (1,401)
N/A

>  <Target> (1,401)
Kinase

>  <Form> (1,401)
free base

>  <CAS> (1,401)
383380-01-6

>  <URL> (1,401)
N/A

$$$$
WAY-346658
csChFnd80/06102009132D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,402)
1403

>  <Formula> (1,402)
C13H11ClN2O2S

>  <MolWeight> (1,402)
294.75664

>  <Cat> (1,402)
P3715

>  <Name> (1,402)
WAY-346658

>  <Synonyms> (1,402)
N/A

>  <Target> (1,402)
c-Jun N-terminal kinase

>  <Form> (1,402)
free base

>  <CAS> (1,402)
381714-44-9

>  <URL> (1,402)
N/A

$$$$
WAY-350471
csChFnd80/06102009132D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,403)
1404

>  <Formula> (1,403)
C14H18N4OS

>  <MolWeight> (1,403)
290.38392

>  <Cat> (1,403)
P3714

>  <Name> (1,403)
WAY-350471

>  <Synonyms> (1,403)
N/A

>  <Target> (1,403)
IRAK

>  <Form> (1,403)
free base

>  <CAS> (1,403)
785705-53-5

>  <URL> (1,403)
N/A

$$$$
WAY-352563
csChFnd80/06102009132D

 22 24  0  0  0  0  0  0  0  0999 V2000
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505051-04-7

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N/A

$$$$
GI-505946
csChFnd80/06102009132D

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p38

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free base

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13142-47-7

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N/A

$$$$
WAY-354896
csChFnd80/06102009132D

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>  <Synonyms> (1,406)
N/A

>  <Target> (1,406)
PKR,PERK

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free base

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136498-37-8

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N/A

$$$$
WAY-380496
csChFnd80/06102009132D

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1408

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>  <Synonyms> (1,407)
N/A

>  <Target> (1,407)
DAPK

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free base

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304000-05-3

>  <URL> (1,407)
N/A

$$$$
WAY-381332
csChFnd80/06102009132D

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>  <Formula> (1,408)
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>  <MolWeight> (1,408)
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>  <Cat> (1,408)
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>  <Name> (1,408)
WAY-381332

>  <Synonyms> (1,408)
N/A

>  <Target> (1,408)
CDK9 

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free base

>  <CAS> (1,408)
380163-63-3

>  <URL> (1,408)
N/A

$$$$
WAY-332656
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,409)
1410

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C18H13ClN4O2

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352.77442

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WAY-332656

>  <Synonyms> (1,409)
N/A

>  <Target> (1,409)
Protein kinase C epsilon signaling

>  <Form> (1,409)
free base

>  <CAS> (1,409)
904458-98-6

>  <URL> (1,409)
N/A

$$$$
WAY-333175
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,410)
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P3694

>  <Name> (1,410)
WAY-333175

>  <Synonyms> (1,410)
N/A

>  <Target> (1,410)
GSK-3b

>  <Form> (1,410)
free base

>  <CAS> (1,410)
75620-25-6

>  <URL> (1,410)
N/A

$$$$
WAY-333184
csChFnd80/06102009132D

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M  END
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C17H17NOS

>  <MolWeight> (1,411)
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>  <Synonyms> (1,411)
N/A

>  <Target> (1,411)
GSK-3b

>  <Form> (1,411)
free base

>  <CAS> (1,411)
863004-48-2

>  <URL> (1,411)
N/A

$$$$
WAY-643018
csChFnd80/06102009132D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,412)
1413

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C18H16N4O

>  <MolWeight> (1,412)
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>  <Cat> (1,412)
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>  <Name> (1,412)
WAY-643018

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
CDK

>  <Form> (1,412)
free base

>  <CAS> (1,412)
677701-62-1

>  <URL> (1,412)
N/A

$$$$
WAY-332616
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,413)
1414

>  <Formula> (1,413)
C16H15NO3S

>  <MolWeight> (1,413)
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>  <Cat> (1,413)
P3708

>  <Name> (1,413)
WAY-332616

>  <Synonyms> (1,413)
N/A

>  <Target> (1,413)
pyruvate kinase

>  <Form> (1,413)
free base

>  <CAS> (1,413)
904457-46-1

>  <URL> (1,413)
N/A

$$$$
WAY-332647
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,414)
1415

>  <Formula> (1,414)
C19H21NO3S

>  <MolWeight> (1,414)
343.43994

>  <Cat> (1,414)
P3767

>  <Name> (1,414)
WAY-332647

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
pyruvate kinase

>  <Form> (1,414)
free base

>  <CAS> (1,414)
902516-53-4

>  <URL> (1,414)
N/A

$$$$
WAY-624704
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,415)
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>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
ROCK

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free base

>  <CAS> (1,415)
692869-38-8

>  <URL> (1,415)
N/A

$$$$
WAY-625135
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,416)
1417

>  <Formula> (1,416)
C14H12N2O3S

>  <MolWeight> (1,416)
288.32168

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P3707

>  <Name> (1,416)
WAY-625135

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Casein kinase 1¦Ä

>  <Form> (1,416)
free base

>  <CAS> (1,416)
756865-45-9

>  <URL> (1,416)
N/A

$$$$
WAY-626309
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,417)
1418

>  <Formula> (1,417)
C19H16N2O2S

>  <MolWeight> (1,417)
336.40754

>  <Cat> (1,417)
P3765

>  <Name> (1,417)
WAY-626309

>  <Synonyms> (1,417)
N/A

>  <Target> (1,417)
c-Jun N-terminal kinase

>  <Form> (1,417)
free base

>  <CAS> (1,417)
756849-36-2

>  <URL> (1,417)
N/A

$$$$
WAY-646458
csChFnd80/06102009132D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,418)
1419

>  <Formula> (1,418)
C16H10N2O2

>  <MolWeight> (1,418)
262.2628

>  <Cat> (1,418)
P3706

>  <Name> (1,418)
WAY-646458

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
Casein kinase 1d

>  <Form> (1,418)
free base

>  <CAS> (1,418)
852413-92-4

>  <URL> (1,418)
N/A

$$$$
WAY-313318
csChFnd80/06102009132D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,419)
1420

>  <Formula> (1,419)
C13H10Cl2N4

>  <MolWeight> (1,419)
293.1513

>  <Cat> (1,419)
P3734

>  <Name> (1,419)
WAY-313318

>  <Synonyms> (1,419)
N/A

>  <Target> (1,419)
RSK2

>  <Form> (1,419)
free base

>  <CAS> (1,419)
351993-88-9

>  <URL> (1,419)
N/A

$$$$
WAY-239448
csChFnd80/06102009132D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,420)
1421

>  <Formula> (1,420)
C11H12N2S2

>  <MolWeight> (1,420)
236.35638

>  <Cat> (1,420)
P3683

>  <Name> (1,420)
WAY-239448

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
CK2,Anti-infection

>  <Form> (1,420)
free base

>  <CAS> (1,420)
314260-78-1

>  <URL> (1,420)
N/A

$$$$
WAY-299562
csChFnd80/06102009132D

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 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,421)
1422

>  <Formula> (1,421)
C16H13NO3

>  <MolWeight> (1,421)
267.27932

>  <Cat> (1,421)
P3698

>  <Name> (1,421)
WAY-299562

>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
PKA,AKAP

>  <Form> (1,421)
free base

>  <CAS> (1,421)
299934-88-6

>  <URL> (1,421)
N/A

$$$$
WAY-300507
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  2  2  0  0  0  0
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 10  4  2  0  0  0  0
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 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
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 16  7  2  0  0  0  0
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 20  9  1  0  0  0  0
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  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,422)
1423

>  <Formula> (1,422)
C18H15NO3S2

>  <MolWeight> (1,422)
357.4466

>  <Cat> (1,422)
P3774

>  <Name> (1,422)
WAY-300507

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
beta-catenin,MKK4

>  <Form> (1,422)
free base

>  <CAS> (1,422)
301688-74-4

>  <URL> (1,422)
N/A

$$$$
WAY-301524-A
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 14  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,423)
1424

>  <Formula> (1,423)
C15H13N3O2S

>  <MolWeight> (1,423)
299.34762

>  <Cat> (1,423)
P3725

>  <Name> (1,423)
WAY-301524-A

>  <Synonyms> (1,423)
N/A

>  <Target> (1,423)
CK2

>  <Form> (1,423)
free base

>  <CAS> (1,423)
474263-21-3

>  <URL> (1,423)
N/A

$$$$
WAY-301527
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
1425

>  <Formula> (1,424)
C16H15N3O2S

>  <MolWeight> (1,424)
313.3742

>  <Cat> (1,424)
P3747

>  <Name> (1,424)
WAY-301527

>  <Synonyms> (1,424)
N/A

>  <Target> (1,424)
Casein Kinase

>  <Form> (1,424)
free base

>  <CAS> (1,424)
315682-22-5

>  <URL> (1,424)
N/A

$$$$
WAY-388756
csChFnd80/06102009132D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,425)
1426

>  <Formula> (1,425)
C11H7ClN2S2

>  <MolWeight> (1,425)
266.76968

>  <Cat> (1,425)
P3724

>  <Name> (1,425)
WAY-388756

>  <Synonyms> (1,425)
N/A

>  <Target> (1,425)
IKKb

>  <Form> (1,425)
free base

>  <CAS> (1,425)
243669-62-7

>  <URL> (1,425)
N/A

$$$$
WAY-310410
csChFnd80/06102009132D

 17 19  0  0  0  0  0  0  0  0999 V2000
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LIMK1

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free base

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332904-10-6

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N/A

$$$$
WAY-297152
csChFnd80/06102009132D

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>  <Synonyms> (1,427)
N/A

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MtSk

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free base

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397878-17-0

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N/A

$$$$
WAY-297174
csChFnd80/06102009132D

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M  END
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1429

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CK2,MtSk

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free base

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442571-27-9

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N/A

$$$$
WAY-297674
csChFnd80/06102009132D

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WAY-297674

>  <Synonyms> (1,429)
N/A

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CK2

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free base

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313985-59-0

>  <URL> (1,429)
N/A

$$$$
WAY-298630
csChFnd80/06102009132D

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1431

>  <Formula> (1,430)
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WAY-298630

>  <Synonyms> (1,430)
N/A

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PDK1

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free base

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303134-93-2

>  <URL> (1,430)
N/A

$$$$
WAY-299017
csChFnd80/06102009132D

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>  <Formula> (1,431)
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>  <Name> (1,431)
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>  <Synonyms> (1,431)
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>  <Target> (1,431)
PI3Ka

>  <Form> (1,431)
free base

>  <CAS> (1,431)
300803-79-6

>  <URL> (1,431)
N/A

$$$$
WAY-299359
csChFnd80/06102009132D

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    2.4828   -0.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,432)
1433

>  <Formula> (1,432)
C14H18N2O3S

>  <MolWeight> (1,432)
294.36932

>  <Cat> (1,432)
P3729

>  <Name> (1,432)
WAY-299359

>  <Synonyms> (1,432)
N/A

>  <Target> (1,432)
FLT3, Tubulin

>  <Form> (1,432)
free base

>  <CAS> (1,432)
1005057-81-7

>  <URL> (1,432)
N/A

$$$$
WAY-117443
csChFnd80/06102009132D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  2  0  0  0  0
 15 17  1  0  0  0  0
 16 11  1  0  0  0  0
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 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20  3  1  0  0  0  0
 21 13  1  0  0  0  0
 22 15  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,433)
1434

>  <Formula> (1,433)
C19H18O5

>  <MolWeight> (1,433)
326.34322

>  <Cat> (1,433)
P3752

>  <Name> (1,433)
WAY-117443

>  <Synonyms> (1,433)
N/A

>  <Target> (1,433)
GRK6,DOPA decarboxylase

>  <Form> (1,433)
free base

>  <CAS> (1,433)
1164562-43-9

>  <URL> (1,433)
N/A

$$$$
WAY-304191
csChFnd80/06102009132D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.9034    0.6069    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
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  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 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
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,434)
1435

>  <Formula> (1,434)
C18H25NO2

>  <MolWeight> (1,434)
287.3966

>  <Cat> (1,434)
P3745

>  <Name> (1,434)
WAY-304191

>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
FLT3 receptor

>  <Form> (1,434)
free base

>  <CAS> (1,434)
510724-22-8

>  <URL> (1,434)
N/A

$$$$
WAY-226683
csChFnd80/06102009132D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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  9 10  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,435)
1436

>  <Formula> (1,435)
C14H14N2O3

>  <MolWeight> (1,435)
258.27256

>  <Cat> (1,435)
P3697

>  <Name> (1,435)
WAY-226683

>  <Synonyms> (1,435)
N/A

>  <Target> (1,435)
Rho

>  <Form> (1,435)
free base

>  <CAS> (1,435)
309736-94-5

>  <URL> (1,435)
N/A

$$$$
WAY-306955
csChFnd80/06102009132D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  2  0  0  0  0
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 20 22  1  0  0  0  0
  5  9  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,436)
1437

>  <Formula> (1,436)
C17H14N4S

>  <MolWeight> (1,436)
306.38486

>  <Cat> (1,436)
P3770

>  <Name> (1,436)
WAY-306955

>  <Synonyms> (1,436)
N/A

>  <Target> (1,436)
p38a MAPK

>  <Form> (1,436)
free base

>  <CAS> (1,436)
315703-48-1

>  <URL> (1,436)
N/A

$$$$
WAY-352121
csChFnd80/06102009132D

 27 30  0  0  0  0  0  0  0  0999 V2000
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free base

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484677-02-3

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N/A

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WAY-380153
csChFnd80/06102009132D

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N/A

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free base

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363160-12-7

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N/A

$$$$
WAY-311474
csChFnd80/06102009132D

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MtSk

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free base

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569313-77-5

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N/A

$$$$
WAY-312858
csChFnd80/06102009132D

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CK2

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free base

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620570-09-4

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N/A

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WAY-278705
csChFnd80/06102009132D

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N/A

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 PI3K

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free base

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476280-90-7

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N/A

$$$$
WAY-663387
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>  <Synonyms> (1,442)
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876866-50-1

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N/A

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WAY-644841
csChFnd80/06102009132D

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N/A

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WAY-273339
csChFnd80/06102009132D

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N/A

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IGF-1R

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free base

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443097-57-2

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N/A

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WAY-277364
csChFnd80/06102009132D

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free base

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771498-80-7

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N/A

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WAY-337530
csChFnd80/06102009132D

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CLK-1

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free base

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332939-29-4

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N/A

$$$$
WAY-337532
csChFnd80/06102009132D

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CLK-1

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free base

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332939-49-8

>  <URL> (1,447)
N/A

$$$$
WAY-628644
csChFnd80/06102009132D

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377760-40-2

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N/A

$$$$
WAY-270250
csChFnd80/06102009132D

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IGF-1R,SRC

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free base

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852367-46-5

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N/A

$$$$
WAY-270252
csChFnd80/06102009132D

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>  <Synonyms> (1,450)
N/A

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IGF-1R,SRC

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free base

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61-38-1

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N/A

$$$$
WAY-271127
csChFnd80/06102009132D

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WAY-271127

>  <Synonyms> (1,451)
N/A

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MtSk

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free base

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500149-26-8

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N/A

$$$$
WAY-615145
csChFnd80/06102009132D

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>  <Synonyms> (1,452)
N/A

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glucokinase

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free base

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536736-95-5

>  <URL> (1,452)
N/A

$$$$
WAY-613982
csChFnd80/06102009132D

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>  <Synonyms> (1,453)
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free base

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330449-39-3

>  <URL> (1,453)
N/A

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WAY-650334
csChFnd80/06102009132D

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M  END
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C12H12N2O3

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P3681

>  <Name> (1,454)
WAY-650334

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
MAP2K4

>  <Form> (1,454)
free base

>  <CAS> (1,454)
847773-02-8

>  <URL> (1,454)
N/A

$$$$
GI-570482
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,455)
1456

>  <Formula> (1,455)
C13H14N2O3S

>  <MolWeight> (1,455)
278.32686

>  <Cat> (1,455)
P3703

>  <Name> (1,455)
GI-570482

>  <Synonyms> (1,455)
N/A

>  <Target> (1,455)
ExoS ADPRT,MET,USP14

>  <Form> (1,455)
free base

>  <CAS> (1,455)
109164-47-8

>  <URL> (1,455)
N/A

$$$$
WAY-272160
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,456)
1457

>  <Formula> (1,456)
C18H13ClN2O3

>  <MolWeight> (1,456)
340.76042

>  <Cat> (1,456)
P3737

>  <Name> (1,456)
WAY-272160

>  <Synonyms> (1,456)
N/A

>  <Target> (1,456)
 topoisomerase II,HER2

>  <Form> (1,456)
free base

>  <CAS> (1,456)
489413-54-9

>  <URL> (1,456)
N/A

$$$$
WAY-320461
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,457)
1458

>  <Formula> (1,457)
C15H10BrN3O2S

>  <MolWeight> (1,457)
376.2278

>  <Cat> (1,457)
P3760

>  <Name> (1,457)
WAY-320461

>  <Synonyms> (1,457)
N/A

>  <Target> (1,457)
FAK

>  <Form> (1,457)
free base

>  <CAS> (1,457)
491839-65-7

>  <URL> (1,457)
N/A

$$$$
WAY-603392
csChFnd80/06102009132D

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M  END
>  <Mol_ID> (1,458)
1459

>  <Formula> (1,458)
C11H16N2O3S

>  <MolWeight> (1,458)
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>  <Cat> (1,458)
P3685

>  <Name> (1,458)
WAY-603392

>  <Synonyms> (1,458)
N/A

>  <Target> (1,458)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,458)
free base

>  <CAS> (1,458)
329906-01-6

>  <URL> (1,458)
N/A

$$$$
WAY-321341
csChFnd80/06102009132D

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1460

>  <Formula> (1,459)
C24H22N4O

>  <MolWeight> (1,459)
382.45768

>  <Cat> (1,459)
P3759

>  <Name> (1,459)
WAY-321341

>  <Synonyms> (1,459)
N/A

>  <Target> (1,459)
SYK,Immunology & Inflammation related

>  <Form> (1,459)
free base

>  <CAS> (1,459)
314027-66-2

>  <URL> (1,459)
N/A

$$$$
WAY-322243
csChFnd80/06102009132D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,460)
1461

>  <Formula> (1,460)
C18H18N2O2S

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326.41272

>  <Cat> (1,460)
P3736

>  <Name> (1,460)
WAY-322243

>  <Synonyms> (1,460)
N/A

>  <Target> (1,460)
CLK-1

>  <Form> (1,460)
free base

>  <CAS> (1,460)
332939-32-9

>  <URL> (1,460)
N/A

$$$$
WAY-322475
csChFnd80/06102009132D

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>  <Mol_ID> (1,461)
1462

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C15H15N5

>  <MolWeight> (1,461)
265.3131

>  <Cat> (1,461)
P3691

>  <Name> (1,461)
WAY-322475

>  <Synonyms> (1,461)
N/A

>  <Target> (1,461)
GRK6,SUMOylation

>  <Form> (1,461)
free base

>  <CAS> (1,461)
300731-73-1

>  <URL> (1,461)
N/A

$$$$
