untitled.cdx
csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C21H18FN5O

>  <MolWeight> (1)
375.3989232

>  <Cat> (1)
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
csChFnd80/06102009162D

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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
csChFnd80/06102009162D

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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
csChFnd80/06102009162D

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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
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C31H33N5O4

>  <MolWeight> (5)
539.62482

>  <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

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (6)
7

>  <Formula> (6)
C25H27FN4O3

>  <MolWeight> (6)
450.5052832

>  <Cat> (6)
S1017

>  <Name> (6)
Cediranib (AZD2171)

>  <Synonyms> (6)
Recentin 

>  <Target> (6)
VEGFR, Flt

>  <Form> (6)
Free Base

>  <CAS> (6)
288383-20-0

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

$$$$
CI1040.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (7)
8

>  <Formula> (7)
C17H14ClF2IN2O2

>  <MolWeight> (7)
478.6595364

>  <Cat> (7)
S1020

>  <Name> (7)
CI-1040 (PD184352)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
MEK 

>  <Form> (7)
Free Base

>  <CAS> (7)
212631-79-3

>  <URL> (7)
http://www.selleckchem.com/products/CI-1040-(PD184352).html

$$$$
Dasatinib.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (8)
9

>  <Formula> (8)
C22H26ClN7O2S

>  <MolWeight> (8)
488.00554

>  <Cat> (8)
S1021

>  <Name> (8)
Dasatinib

>  <Synonyms> (8)
BMS-354825

>  <Target> (8)
Src, Bcr-Abl, c-Kit

>  <Form> (8)
Free Base

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

>  <URL> (8)
http://www.selleckchem.com/products/Dasatinib.html

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (9)
10

>  <Formula> (9)
C53H84NO14P

>  <MolWeight> (9)
990.206121

>  <Cat> (9)
S1022

>  <Name> (9)
Deforolimus (MK-8669) 

>  <Synonyms> (9)
AP23573, MK-8669

>  <Target> (9)
mTOR

>  <Form> (9)
Free Base

>  <CAS> (9)
572924-54-0

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

$$$$

csChFnd80/06102009162D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (10)
11

>  <Formula> (10)
C21H21FN6O

>  <MolWeight> (10)
392.4294432

>  <Cat> (10)
S1018

>  <Name> (10)
Dovitinib (TKI-258, CHIR-258)

>  <Synonyms> (10)
N/A

>  <Target> (10)
c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (10)
Free base

>  <CAS> (10)
405169-16-6

>  <URL> (10)
http://www.selleckchem.com/products/CHIR-258.html

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (11)
12

>  <Formula> (11)
C22H24ClFN4O3

>  <MolWeight> (11)
446.9023632

>  <Cat> (11)
S1025

>  <Name> (11)
Gefitinib (ZD1839)

>  <Synonyms> (11)
N/A

>  <Target> (11)
EGFR

>  <Form> (11)
Free Base

>  <CAS> (11)
184475-35-2

>  <URL> (11)
http://www.selleckchem.com/products/Gefitinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (12)
13

>  <Formula> (12)
C30H35N7O4S

>  <MolWeight> (12)
589.7084

>  <Cat> (12)
S1026

>  <Name> (12)
Imatinib Mesylate (STI571)

>  <Synonyms> (12)
CGP-57148B, ST-1571 Mesylate

>  <Target> (12)
PDGFR, c-Kit, Bcr-Abl

>  <Form> (12)
Mesylate

>  <CAS> (12)
220127-57-1

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

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (13)
14

>  <Formula> (13)
C43H42ClFN4O10S3

>  <MolWeight> (13)
925.4607832

>  <Cat> (13)
S1028

>  <Name> (13)
Lapatinib (GW-572016) Ditosylate

>  <Synonyms> (13)
GW-57201

>  <Target> (13)
EGFR, HER2

>  <Form> (13)
Ditosylat

>  <CAS> (13)
388082-77-7

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

$$$$
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csChFnd80/06102009162D

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M  END
>  <Mol_ID> (14)
15

>  <Formula> (14)
C22H29N5O9P2

>  <MolWeight> (14)
569.441282

>  <Cat> (14)
S1032

>  <Name> (14)
Motesanib Diphosphate (AMG-706)

>  <Synonyms> (14)
AMG-706

>  <Target> (14)
VEGFR, PDGFR, c-Kit

>  <Form> (14)
Diphosphate

>  <CAS> (14)
857876-30-3

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

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (15)
16

>  <Formula> (15)
C28H22F3N7O

>  <MolWeight> (15)
529.5157896

>  <Cat> (15)
S1033

>  <Name> (15)
Nilotinib (AMN-107)

>  <Synonyms> (15)
Tasigna 

>  <Target> (15)
Bcr-Abl

>  <Form> (15)
Free Base

>  <CAS> (15)
641571-10-0

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

$$$$
untitled.cdx
csChFnd80/06102009162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (16)
17

>  <Formula> (16)
C21H24ClN7O2S

>  <MolWeight> (16)
473.97896

>  <Cat> (16)
S1035

>  <Name> (16)
Pazopanib HCl

>  <Synonyms> (16)
GW786034

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

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
635702-64-6

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

$$$$
untitled.cdx
csChFnd80/06102009162D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
18

>  <Formula> (17)
C16H14F3IN2O4

>  <MolWeight> (17)
482.1930396

>  <Cat> (17)
S1036

>  <Name> (17)
PD0325901

>  <Synonyms> (17)
N/A

>  <Target> (17)
MEK 

>  <Form> (17)
Free Base

>  <CAS> (17)
391210-10-9

>  <URL> (17)
http://www.selleckchem.com/products/PD-0325901.html

$$$$
1.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (18)
19

>  <Formula> (18)
C19H16N4O3

>  <MolWeight> (18)
348.35534

>  <Cat> (18)
S1038

>  <Name> (18)
PI-103

>  <Synonyms> (18)
N/A

>  <Target> (18)
DNA-PK, PI3K, mTOR

>  <Form> (18)
Free Base

>  <CAS> (18)
371935-74-9

>  <URL> (18)
http://www.selleckchem.com/products/PI-103.html

$$$$
RAPAMYCIN.cdx
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M  END
>  <Mol_ID> (19)
20

>  <Formula> (19)
C51H79NO13

>  <MolWeight> (19)
914.17186

>  <Cat> (19)
S1039

>  <Name> (19)
Rapamycin (Sirolimus)

>  <Synonyms> (19)
N/A 

>  <Target> (19)
mTOR 

>  <Form> (19)
Free Base

>  <CAS> (19)
53123-88-9

>  <URL> (19)
http://www.selleckchem.com/products/Rapamycin.html

$$$$

csChFnd80/06102009162D

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M  END
>  <Mol_ID> (20)
21

>  <Formula> (20)
C28H24ClF3N4O6S

>  <MolWeight> (20)
637.0265696

>  <Cat> (20)
S1040

>  <Name> (20)
Sorafenib Tosylate

>  <Synonyms> (20)
Bay 43-9006 

>  <Target> (20)
VEGFR, PDGFR, Raf

>  <Form> (20)
Tosylate

>  <CAS> (20)
475207-59-1

>  <URL> (20)
http://www.selleckchem.com/products/Sorafenib-Tosylate.html

$$$$

csChFnd80/06102009162D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
22

>  <Formula> (21)
C26H33FN4O7

>  <MolWeight> (21)
532.5612232

>  <Cat> (21)
S1042

>  <Name> (21)
Sunitinib Malate

>  <Synonyms> (21)
N/A

>  <Target> (21)
VEGFR, PDGFR, c-Kit, Flt

>  <Form> (21)
Malate

>  <CAS> (21)
341031-54-7

>  <URL> (21)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

$$$$
untitled.cdx
csChFnd80/06102009162D

 33 37  0  0  0  0  0  0  0  0999 V2000
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
23

>  <Formula> (22)
C23H28N8OS

>  <MolWeight> (22)
464.58642

>  <Cat> (22)
S1048

>  <Name> (22)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
Aurora Kinase

>  <Form> (22)
Free Base

>  <CAS> (22)
639089-54-6

>  <URL> (22)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (23)
24

>  <Formula> (23)
C14H23Cl2N3O

>  <MolWeight> (23)
320.25792

>  <Cat> (23)
S1049

>  <Name> (23)
Y-27632 2HCl

>  <Synonyms> (23)
N/A

>  <Target> (23)
ROCK

>  <Form> (23)
Dihydrochloride

>  <CAS> (23)
129830-38-2

>  <URL> (23)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/06102009162D

 39 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
25

>  <Formula> (24)
C32H29N5O2

>  <MolWeight> (24)
515.60496

>  <Cat> (24)
S1055

>  <Name> (24)
Enzastaurin (LY317615)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
PKC 

>  <Form> (24)
Free Base

>  <CAS> (24)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (25)
26

>  <Formula> (25)
C28H30N6OS

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498.6424

>  <Cat> (25)
S1064

>  <Name> (25)
Masitinib (AB1010)

>  <Synonyms> (25)
N/A 

>  <Target> (25)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (25)
Free Base

>  <CAS> (25)
790299-79-5

>  <URL> (25)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (26)
27

>  <Formula> (26)
C23H27N7O3S2

>  <MolWeight> (26)
513.63558

>  <Cat> (26)
S1065

>  <Name> (26)
Pictilisib (GDC-0941)

>  <Synonyms> (26)
RG7321

>  <Target> (26)
PI3K 

>  <Form> (26)
Free Base

>  <CAS> (26)
957054-30-7

>  <URL> (26)
http://www.selleckchem.com/products/GDC-0941.html

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (27)
28

>  <Formula> (27)
C22H16N4O3

>  <MolWeight> (27)
384.38744

>  <Cat> (27)
S1067

>  <Name> (27)
SB 431542

>  <Synonyms> (27)
N/A

>  <Target> (27)
TGF-beta/Smad

>  <Form> (27)
Free Base

>  <CAS> (27)
301836-41-9

>  <URL> (27)
http://www.selleckchem.com/products/SB-431542.html

$$$$
1.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (28)
29

>  <Formula> (28)
C19H21F2N7O2

>  <MolWeight> (28)
417.4125464

>  <Cat> (28)
S1072

>  <Name> (28)
ZSTK474

>  <Synonyms> (28)
N/A

>  <Target> (28)
PI3K 

>  <Form> (28)
Free Base

>  <CAS> (28)
475110-96-4

>  <URL> (28)
http://www.selleckchem.com/products/ZSTK474.html

$$$$
1.cdx
csChFnd80/06102009162D

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GSK-3 

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Free Base

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280744-09-4

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

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p38 MAPK 

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Free Base

>  <CAS> (30)
152121-47-6

>  <URL> (30)
http://www.selleckchem.com/products/SB-203580.html

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C20H14FN3O

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SB202190 (FHPI)

>  <Synonyms> (31)
N/A

>  <Target> (31)
p38 MAPK 

>  <Form> (31)
Free Base

>  <CAS> (31)
152121-30-7

>  <URL> (31)
http://www.selleckchem.com/products/SB-202190.html

$$$$

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C25H23Cl2N5O

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>  <Target> (32)
Akt

>  <Form> (32)
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>  <CAS> (32)
1032350-13-2

>  <URL> (32)
http://www.selleckchem.com/products/MK-2206.html

$$$$
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>  <Mol_ID> (33)
34

>  <Formula> (33)
C28H30ClN5O4S

>  <MolWeight> (33)
568.0869

>  <Cat> (33)
S1080

>  <Name> (33)
SU11274

>  <Synonyms> (33)
PKI-SU11274

>  <Target> (33)
c-Met 

>  <Form> (33)
Free Base

>  <CAS> (33)
658084-23-2

>  <URL> (33)
http://www.selleckchem.com/products/SU11274.html

$$$$
Brivanib.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (34)
35

>  <Formula> (34)
C19H19FN4O3

>  <MolWeight> (34)
370.3775632

>  <Cat> (34)
S1084

>  <Name> (34)
Brivanib (BMS-540215)

>  <Synonyms> (34)
N/A 

>  <Target> (34)
VEGFR, FGFR

>  <Form> (34)
Free Base

>  <CAS> (34)
649735-46-6

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

$$$$
NVP-ADW742.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (35)
36

>  <Formula> (35)
C28H31N5O

>  <MolWeight> (35)
453.57864

>  <Cat> (35)
S1088

>  <Name> (35)
NVP-ADW742

>  <Synonyms> (35)
ADW742

>  <Target> (35)
IGF-1R

>  <Form> (35)
Free Base

>  <CAS> (35)
475488-23-4

>  <URL> (35)
http://www.selleckchem.com/products/NVP-ADW742.html

$$$$
untitled.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (36)
37

>  <Formula> (36)
C21H17NO3S2

>  <MolWeight> (36)
395.49458

>  <Cat> (36)
S1092

>  <Name> (36)
KU-55933 (ATM Kinase Inhibitor)

>  <Synonyms> (36)
N/A

>  <Target> (36)
ATM 

>  <Form> (36)
Free Base

>  <CAS> (36)
587871-26-9

>  <URL> (36)
http://www.selleckchem.com/products/KU-55933.html

$$$$
untitled.cdx
csChFnd80/06102009162D

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>  <Name> (40)
Vatalanib (PTK787) 2HCl

>  <Synonyms> (40)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (40)
VEGFR, c-Kit, Flt

>  <Form> (40)
Dihydrochloride

>  <CAS> (40)
212141-51-0

>  <URL> (40)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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Aurora Kinase

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331771-20-1

>  <URL> (41)
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Raf

>  <Form> (42)
Free Base

>  <CAS> (42)
905281-76-7

>  <URL> (42)
http://www.selleckchem.com/products/GDC-0879.html

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PI3K 

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154447-36-6

>  <URL> (43)
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M  END
>  <Mol_ID> (45)
47

>  <Formula> (45)
C26H30N6O3

>  <MolWeight> (45)
474.5548

>  <Cat> (45)
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>  <Name> (45)
Danusertib (PHA-739358)

>  <Synonyms> (45)
N/A 

>  <Target> (45)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (45)
Free Base

>  <CAS> (45)
827318-97-8

>  <URL> (45)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (46)
48

>  <Formula> (46)
C28H39N7O3

>  <MolWeight> (46)
521.65436

>  <Cat> (46)
S1109

>  <Name> (46)
BI 2536

>  <Synonyms> (46)
N/A

>  <Target> (46)
PLK

>  <Form> (46)
Free Base

>  <CAS> (46)
755038-02-9

>  <URL> (46)
http://www.selleckchem.com/products/BI-2536.html

$$$$
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>  <Mol_ID> (47)
49

>  <Formula> (47)
C34H34F2N4O6

>  <MolWeight> (47)
632.6537664

>  <Cat> (47)
S1111

>  <Name> (47)
Foretinib (GSK1363089, XL880)

>  <Synonyms> (47)
N/A 

>  <Target> (47)
c-Met, VEGFR

>  <Form> (47)
Free Base

>  <CAS> (47)
849217-64-7

>  <URL> (47)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

$$$$
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>  <Synonyms> (48)
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>  <Target> (48)
c-Met 

>  <Form> (48)
Free Base

>  <CAS> (48)
943540-75-8

>  <URL> (48)
http://www.selleckchem.com/products/JNJ-38877605.html

$$$$
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csChFnd80/06102009162D

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>  <Mol_ID> (49)
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>  <Formula> (49)
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>  <Name> (49)
Everolimus (RAD001)

>  <Synonyms> (49)
Certican, Zortress, Afinitor

>  <Target> (49)
mTOR

>  <Form> (49)
Free Base

>  <CAS> (49)
159351-69-6

>  <URL> (49)
http://www.selleckchem.com/products/Everolimus(RAD001).html

$$$$
mln8237.cdx
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>  <Target> (50)
Aurora Kinase

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>  <CAS> (50)
1028486-01-2

>  <URL> (50)
http://www.selleckchem.com/products/MLN8237.html

$$$$
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>  <Mol_ID> (51)
53

>  <Formula> (51)
C28H24FN3O5

>  <MolWeight> (51)
501.5056632

>  <Cat> (51)
S1119

>  <Name> (51)
Cabozantinib (XL184, BMS-907351)

>  <Synonyms> (51)
N/A

>  <Target> (51)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (51)
Free Base

>  <CAS> (51)
849217-68-1

>  <URL> (51)
http://www.selleckchem.com/products/XL184.html

$$$$
AT9283.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (52)
54

>  <Formula> (52)
C19H23N7O2

>  <MolWeight> (52)
381.43162

>  <Cat> (52)
S1134

>  <Name> (52)
AT9283

>  <Synonyms> (52)
N/A

>  <Target> (52)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (52)
Free Base

>  <CAS> (52)
896466-04-9

>  <URL> (52)
http://www.selleckchem.com/products/AT9283.html

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (53)
55

>  <Formula> (53)
C22H24FN5O4

>  <MolWeight> (53)
441.4554632

>  <Cat> (53)
S1138

>  <Name> (53)
Brivanib alaninate (BMS-582664)

>  <Synonyms> (53)
N/A 

>  <Target> (53)
VEGFR, FGFR

>  <Form> (53)
Alaninate

>  <CAS> (53)
649735-63-7

>  <URL> (53)
http://www.selleckchem.com/products/Brivanib-alaninate.html

$$$$
untitled.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (54)
57

>  <Formula> (54)
C17H24N4O2S2

>  <MolWeight> (54)
380.52806

>  <Cat> (54)
S1145

>  <Name> (54)
SNS-032 (BMS-387032)

>  <Synonyms> (54)
BMS-387032

>  <Target> (54)
CDK 

>  <Form> (54)
Free Base

>  <CAS> (54)
345627-80-7

>  <URL> (54)
http://www.selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
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Aurora Kinase

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Free Base

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722544-51-6

>  <URL> (55)
http://www.selleckchem.com/products/AZD1152-HQPA.html

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S1152

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N/A

>  <Target> (56)
Raf 

>  <Form> (56)
Free Base

>  <CAS> (56)
918505-84-7

>  <URL> (56)
http://www.selleckchem.com/products/PLX-4720.html

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Roscovitine (Seliciclib, CYC202) 

>  <Synonyms> (57)
N/A 

>  <Target> (57)
CDK 

>  <Form> (57)
Free Base

>  <CAS> (57)
186692-46-6 

>  <URL> (57)
http://www.selleckchem.com/products/Roscovitine.html

$$$$
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>  <Mol_ID> (58)
61

>  <Formula> (58)
C27H27N5O3

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CP-724714

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N/A

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EGFR, HER2

>  <Form> (58)
Free Base

>  <CAS> (58)
537705-08-1

>  <URL> (58)
http://www.selleckchem.com/products/CP-724714.html

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663619-89-4

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http://www.selleckchem.com/products/TGX-221.html

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EGFR

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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

>  <URL> (61)
http://www.selleckchem.com/products/CYC116.html

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EGFR

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1213269-23-8

>  <URL> (62)
http://www.selleckchem.com/products/WZ4002.html

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167869-21-8

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c-Kit, Raf, VEGFR

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Free Base

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755037-03-7

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EGFR

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Free Base

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1214265-57-2

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934353-76-1

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70

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C24H26N4O4

>  <MolWeight> (67)
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CUDC-101

>  <Synonyms> (67)
N/A

>  <Target> (67)
HDAC, EGFR, HER2

>  <Form> (67)
Free Base

>  <CAS> (67)
1012054-59-9

>  <URL> (67)
http://www.selleckchem.com/products/CUDC-101.html

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csChFnd80/06102009162D

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71

>  <Formula> (68)
C22H19ClN4O5

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S1207

>  <Name> (68)
Tivozanib (AV-951)

>  <Synonyms> (68)
N/A 

>  <Target> (68)
VEGFR, c-Kit, PDGFR

>  <Form> (68)
Free Base

>  <CAS> (68)
475108-18-0

>  <URL> (68)
http://www.selleckchem.com/products/AV-951.html

$$$$
OSI-930.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (69)
72

>  <Formula> (69)
C22H16F3N3O2S

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S1220

>  <Name> (69)
OSI-930

>  <Synonyms> (69)
N/A

>  <Target> (69)
c-Kit, VEGFR

>  <Form> (69)
Free Base

>  <CAS> (69)
728033-96-3

>  <URL> (69)
http://www.selleckchem.com/products/OSI-930.html

$$$$
KU-0063794.cdx
csChFnd80/06102009162D

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73

>  <Formula> (70)
C25H31N5O4

>  <MolWeight> (70)
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Ku-0063794

>  <Synonyms> (70)
N/A

>  <Target> (70)
mTOR 

>  <Form> (70)
Free Base

>  <CAS> (70)
938440-64-3

>  <URL> (70)
http://www.selleckchem.com/products/KU-0063794.html

$$$$
MP-470.cdx
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>  <Mol_ID> (71)
74

>  <Formula> (71)
C23H21N5O3S

>  <MolWeight> (71)
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>  <Cat> (71)
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>  <Name> (71)
Amuvatinib (MP-470)

>  <Synonyms> (71)
N/A 

>  <Target> (71)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (71)
Free Base

>  <CAS> (71)
850879-09-3

>  <URL> (71)
http://www.selleckchem.com/products/MP-470.html

$$$$
leflunomide.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (72)
75

>  <Formula> (72)
C12H9F3N2O2

>  <MolWeight> (72)
270.2072696

>  <Cat> (72)
S1247

>  <Name> (72)
Leflunomide

>  <Synonyms> (72)
Arava

>  <Target> (72)
Dehydrogenase

>  <Form> (72)
Free Base

>  <CAS> (72)
75706-12-6

>  <URL> (72)
http://www.selleckchem.com/products/Leflunomide.html

$$$$
JNJ-7706621.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (73)
76

>  <Formula> (73)
C15H12F2N6O3S

>  <MolWeight> (73)
394.3559864

>  <Cat> (73)
S1249

>  <Name> (73)
JNJ-7706621

>  <Synonyms> (73)
N/A 

>  <Target> (73)
CDK, Aurora Kinase

>  <Form> (73)
Free Base

>  <CAS> (73)
443797-96-4

>  <URL> (73)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
PD173074.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (74)
77

>  <Formula> (74)
C28H41N7O3

>  <MolWeight> (74)
523.67024

>  <Cat> (74)
S1264

>  <Name> (74)
PD173074

>  <Synonyms> (74)
N/A

>  <Target> (74)
FGFR, VEGFR

>  <Form> (74)
Free Base

>  <CAS> (74)
219580-11-7

>  <URL> (74)
http://www.selleckchem.com/products/PD-173074.html

$$$$
WYE-354.cdx
csChFnd80/06102009162D

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78

>  <Formula> (75)
C24H29N7O5

>  <MolWeight> (75)
495.53096

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PLK

>  <Form> (80)
Sodium Salt

>  <CAS> (80)
1225497-78-8

>  <URL> (80)
http://www.selleckchem.com/products/ON-01910.html

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>  <Synonyms> (81)
N/A

>  <Target> (81)
VEGFR, c-Kit, PDGFR

>  <Form> (81)
Free Base

>  <CAS> (81)
228559-41-9

>  <URL> (81)
http://www.selleckchem.com/products/Ki8751.html

$$$$
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N/A

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Sirtuin

>  <Form> (82)
Free Base

>  <CAS> (82)
501-36-0

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/06102009162D

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C31H31ClFN7O2

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Aurora A Inhibitor I

>  <Synonyms> (83)
N/A

>  <Target> (83)
Aurora Kinase

>  <Form> (83)
Free Base

>  <CAS> (83)
1158838-45-9

>  <URL> (83)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
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1226056-71-8

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JNK

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129-56-6

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VEGFR, PDGFR , FGFR 

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252916-29-3

>  <URL> (87)
http://www.selleckchem.com/products/TSU-68(SU6668).html

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>  <URL> (88)
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Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

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943319-70-8

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mTOR

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914913-88-5

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844442-38-2

>  <URL> (98)
http://www.selleckchem.com/products/AT7519.html

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Wee1

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Free Base

>  <CAS> (99)
955365-80-7

>  <URL> (99)
http://www.selleckchem.com/products/MK-1775.html

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1094614-84-2

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http://www.selleckchem.com/products/BIX-02188.html

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Syk 

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Free Base

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841290-80-0

>  <URL> (105)
http://www.selleckchem.com/products/R406(free-base).html

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111

>  <Formula> (106)
C25H31N5O4

>  <MolWeight> (106)
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>  <Cat> (106)
S1555

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AZD8055

>  <Synonyms> (106)
N/A 

>  <Target> (106)
mTOR

>  <Form> (106)
Free Base

>  <CAS> (106)
1009298-09-2

>  <URL> (106)
http://www.selleckchem.com/products/AZD8055.html

$$$$
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>  <Mol_ID> (107)
112

>  <Formula> (107)
C20H31N3O2S2

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S1556

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PHT-427

>  <Synonyms> (107)
N/A 

>  <Target> (107)
Akt, PDK-1

>  <Form> (107)
Free Base

>  <CAS> (107)
1191951-57-1

>  <URL> (107)
http://www.selleckchem.com/products/PHT-427.html

$$$$
KRN633.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (108)
113

>  <Formula> (108)
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>  <MolWeight> (108)
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>  <Cat> (108)
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>  <Synonyms> (108)
N/A 

>  <Target> (108)
VEGFR, PDGFR

>  <Form> (108)
Free Base

>  <CAS> (108)
286370-15-8

>  <URL> (108)
http://www.selleckchem.com/products/KRN-633.html

$$$$
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N/A

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Akt, S6 kinase

>  <Form> (109)
Free Base

>  <CAS> (109)
857531-00-1

>  <URL> (109)
http://www.selleckchem.com/products/AT7867.html

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C25H19ClF2N4O4

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>  <Synonyms> (110)
N/A 

>  <Target> (110)
c-Met

>  <Form> (110)
Free Base

>  <CAS> (110)
1025720-94-8

>  <URL> (110)
http://www.selleckchem.com/products/BMS-777607.html

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N/A

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MEK 

>  <Form> (111)
Free Base

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391210-00-7 

>  <URL> (111)
http://www.selleckchem.com/products/PD318088.html

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ATM 

>  <Form> (112)
Free Base

>  <CAS> (112)
925701-49-1

>  <URL> (112)
http://www.selleckchem.com/products/KU-60019.html

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   13.2989   11.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865   12.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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M  END
>  <Mol_ID> (113)
118

>  <Formula> (113)
C22H33ClN6

>  <MolWeight> (113)
416.99062

>  <Cat> (113)
S1572

>  <Name> (113)
BS-181 HCl

>  <Synonyms> (113)
N/A

>  <Target> (113)
CDK 

>  <Form> (113)
Hydrochloride

>  <CAS> (113)
1397219-81-6

>  <URL> (113)
http://www.selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/06102009162D

 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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M  END
>  <Mol_ID> (114)
119

>  <Formula> (114)
C14H18ClN3O2S

>  <MolWeight> (114)
327.82962

>  <Cat> (114)
S1573

>  <Name> (114)
Fasudil HCl (HA-1077)

>  <Synonyms> (114)
AT-877 

>  <Target> (114)
ROCK

>  <Form> (114)
Hydrochloride

>  <CAS> (114)
105628-07-7

>  <URL> (114)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/06102009162D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 14 34  1  0  0  0  0
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (115)
120

>  <Formula> (115)
C31H37N5O3

>  <MolWeight> (115)
527.65718

>  <Cat> (115)
S1574

>  <Name> (115)
BIRB 796 (Doramapimod)

>  <Synonyms> (115)
N/A

>  <Target> (115)
p38 MAPK

>  <Form> (115)
Free Base

>  <CAS> (115)
285983-48-4

>  <URL> (115)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/06102009162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    6.0580    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (116)
121

>  <Formula> (116)
C26H21N3O2S

>  <MolWeight> (116)
439.52884

>  <Cat> (116)
S1577

>  <Name> (116)
Tie2 kinase inhibitor

>  <Synonyms> (116)
N/A

>  <Target> (116)
Tie-2

>  <Form> (116)
Free Base

>  <CAS> (116)
948557-43-5

>  <URL> (116)
http://www.selleckchem.com/products/Tie2-kinase-inhibitor.html

$$$$

csChFnd80/06102009162D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    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
    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2829  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (117)
122

>  <Formula> (117)
C27H30Cl2F2N6O

>  <MolWeight> (117)
563.4695064

>  <Cat> (117)
S2686

>  <Name> (117)
NVP-BSK805 2HCl

>  <Synonyms> (117)
N/A

>  <Target> (117)
JAK

>  <Form> (117)
HCl

>  <CAS> (117)
1092499-93-8 (free base)

>  <URL> (117)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/06102009162D

 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> (118)
123

>  <Formula> (118)
C5H9NO3S

>  <MolWeight> (118)
163.19486

>  <Cat> (118)
S1623

>  <Name> (118)
Acetylcysteine

>  <Synonyms> (118)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (118)
AChR

>  <Form> (118)
Free Base

>  <CAS> (118)
616-91-1

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/06102009162D

 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> (119)
124

>  <Formula> (119)
C7H7NO3

>  <MolWeight> (119)
153.13538

>  <Cat> (119)
S1681

>  <Name> (119)
Mesalamine (Lialda)

>  <Synonyms> (119)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (119)
I¦ÊB/IKK

>  <Form> (119)
Free Base

>  <CAS> (119)
89-57-6

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

$$$$
DCC-2036.cdx
csChFnd80/06102009162D

 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
    1.3195    8.8433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791    7.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    6.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6914    9.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003   10.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0688   11.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   10.2127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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> (120)
125

>  <Formula> (120)
C30H28FN7O3

>  <MolWeight> (120)
553.5868232

>  <Cat> (120)
S2634

>  <Name> (120)
DCC-2036 (Rebastinib)

>  <Synonyms> (120)
N/A 

>  <Target> (120)
Bcr-Abl

>  <Form> (120)
Free Base

>  <CAS> (120)
1020172-07-9

>  <URL> (120)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Pitavastatin calcium.cdx
csChFnd80/06102009162D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -2.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
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 49 52  1  0  0  0  0
 41 53  1  0  0  0  0
 53 54  2  3  0  0  0
 55 54  1  0  0  0  0
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 59 60  1  0  0  0  0
 60 61  1  0  0  0  0
 60 62  2  0  0  0  0
 58 63  1  6  0  0  0
M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (121)
126

>  <Formula> (121)
C50H46CaF2N2O8

>  <MolWeight> (121)
880.9836464

>  <Cat> (121)
S1759

>  <Name> (121)
Pitavastatin calcium (Livalo)

>  <Synonyms> (121)
Livalo

>  <Target> (121)
HMG-CoA Reductase

>  <Form> (121)
Calcium salt

>  <CAS> (121)
147526-32-7

>  <URL> (121)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/06102009162D

 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
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1875    7.5199    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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  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
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 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (122)
127

>  <Formula> (122)
C10H13N5O4

>  <MolWeight> (122)
267.24132

>  <Cat> (122)
S1784

>  <Name> (122)
Vidarabine (Vira-A)

>  <Synonyms> (122)
Vira-A

>  <Target> (122)
5-alpha Reductase 

>  <Form> (122)
Free Base

>  <CAS> (122)
5536-17-4

>  <URL> (122)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
ADALAT (nifedipine).cdx
csChFnd80/06102009162D

 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
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (123)
128

>  <Formula> (123)
C17H18N2O6

>  <MolWeight> (123)
346.33462

>  <Cat> (123)
S1808

>  <Name> (123)
Nifedipine (Adalat)

>  <Synonyms> (123)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (123)
Calcium Channel

>  <Form> (123)
Free Base

>  <CAS> (123)
21829-25-4

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

$$$$
Methylthiouracil.cdx
csChFnd80/06102009162D

  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> (124)
130

>  <Formula> (124)
C5H6N2OS

>  <MolWeight> (124)
142.17894

>  <Cat> (124)
S3138

>  <Name> (124)
Methylthiouracil

>  <Synonyms> (124)
N/A

>  <Target> (124)
Others

>  <Form> (124)
Free Base

>  <CAS> (124)
20547

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/06102009162D

 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> (125)
131

>  <Formula> (125)
C4H12ClN5

>  <MolWeight> (125)
165.62458

>  <Cat> (125)
S1950

>  <Name> (125)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (125)
Glucophage, Riomet, Diabex

>  <Target> (125)
Others

>  <Form> (125)
Hydrochloride

>  <CAS> (125)
1115-70-4

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

$$$$
Biochanin A.cdx
csChFnd80/06102009162D

 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
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   12.1075    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
  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> (126)
132

>  <Formula> (126)
C16H12O5

>  <MolWeight> (126)
284.26348

>  <Cat> (126)
S2377

>  <Name> (126)
Biochanin A (4-Methylgenistein)

>  <Synonyms> (126)
4-Methylgenistein

>  <Target> (126)
FAAH

>  <Form> (126)
Free Base

>  <CAS> (126)
491-80-5

>  <URL> (126)
http://www.selleckchem.com/products/Biochanin-A(4-Methylgenistein).html

$$$$
Indirubin.cdx
csChFnd80/06102009162D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (127)
133

>  <Formula> (127)
C16H10N2O2

>  <MolWeight> (127)
262.2628

>  <Cat> (127)
S2386

>  <Name> (127)
Indirubin

>  <Synonyms> (127)
N/A

>  <Target> (127)
GSK-3

>  <Form> (127)
Free Base

>  <CAS> (127)
479-41-4 

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

$$$$
Quercetin.cdx
csChFnd80/06102009162D

 22 24  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> (128)
134

>  <Formula> (128)
C15H10O7

>  <MolWeight> (128)
302.2357

>  <Cat> (128)
S2391

>  <Name> (128)
Quercetin (Sophoretin)

>  <Synonyms> (128)
Meletin, Quercetine

>  <Target> (128)
PI3K, PKC, Src, Sirtuin

>  <Form> (128)
Free Base

>  <CAS> (128)
117-39-5

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

$$$$
Salidroside.cdx
csChFnd80/06102009162D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
135

>  <Formula> (129)
C14H20O7

>  <MolWeight> (129)
300.3044

>  <Cat> (129)
S2396

>  <Name> (129)
Salidroside (Rhodioloside)

>  <Synonyms> (129)
Rhodioloside

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
10338-51-9

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

$$$$
E7080.cdx
csChFnd80/06102009162D

 30 33  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> (130)
136

>  <Formula> (130)
C21H19ClN4O4

>  <MolWeight> (130)
426.85296

>  <Cat> (130)
S1164

>  <Name> (130)
E7080 (Lenvatinib)

>  <Synonyms> (130)
N/A

>  <Target> (130)
VEGFR

>  <Form> (130)
Free Base

>  <CAS> (130)
417716-92-8

>  <URL> (130)
http://www.selleckchem.com/products/E7080.html

$$$$
AZD8330.cdx
csChFnd80/06102009162D

 25 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (131)
137

>  <Formula> (131)
C16H17FIN3O4

>  <MolWeight> (131)
461.2267532

>  <Cat> (131)
S2134

>  <Name> (131)
AZD8330

>  <Synonyms> (131)
N/A 

>  <Target> (131)
MEK

>  <Form> (131)
Free Base

>  <CAS> (131)
869357-68-6

>  <URL> (131)
http://www.selleckchem.com/products/AZD8330(ARRY-424704).html

$$$$
KW2449.cdx
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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Flt, Bcr-Abl, Aurora Kinase

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1000669-72-6

>  <URL> (132)
http://www.selleckchem.com/products/KW-2449.html

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Raf, VEGFR

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Free Base

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927880-90-8

>  <URL> (133)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

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Daphnetin

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N/A 

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DNA/RNA Synthesis

>  <Form> (134)
Free Base

>  <CAS> (134)
486-35-1

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

$$$$
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C23H25ClFN7O

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Gandotinib (LY2784544)

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JAK 

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Free Base

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1229236-86-5

>  <URL> (135)
http://www.selleckchem.com/products/LY2784544.html

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EGFR, HER2

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848942-61-0

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http://www.selleckchem.com/products/AZD8931.html

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GSK461364

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N/A

>  <Target> (137)
PLK

>  <Form> (137)
Free Base

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929095-18-1

>  <URL> (137)
http://www.selleckchem.com/products/GSK461364.html

$$$$
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N/A

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Syk, Flt

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Besylate

>  <CAS> (138)
841290-81-1

>  <URL> (138)
http://www.selleckchem.com/products/R406.html

$$$$
SGI 1776 free base.cdx
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1025065-69-3

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$$$$
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csChFnd80/06102009162D

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M  END
>  <Mol_ID> (140)
146

>  <Formula> (140)
C23H15ClF2N4O3

>  <MolWeight> (140)
468.8400064

>  <Cat> (140)
S2201

>  <Name> (140)
BMS 794833

>  <Synonyms> (140)
BMS794833

>  <Target> (140)
c-Met, VEGFR

>  <Form> (140)
Free Base

>  <CAS> (140)
1174046-72-0

>  <URL> (140)
http://www.selleckchem.com/products/BMS-794833.html

$$$$
NVP-BHG712.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (141)
147

>  <Formula> (141)
C26H20F3N7O

>  <MolWeight> (141)
503.4785096

>  <Cat> (141)
S2202

>  <Name> (141)
NVP-BHG712

>  <Synonyms> (141)
N/A

>  <Target> (141)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (141)
Free Base

>  <CAS> (141)
940310-85-0

>  <URL> (141)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
OSI 420.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (142)
148

>  <Formula> (142)
C21H22ClN3O4

>  <MolWeight> (142)
415.87008

>  <Cat> (142)
S2205

>  <Name> (142)
OSI-420 (Desmethyl Erlotinib)

>  <Synonyms> (142)
CP-473420 

>  <Target> (142)
EGFR

>  <Form> (142)
Hydrochloride

>  <CAS> (142)
183320-51-6

>  <URL> (142)
http://www.selleckchem.com/products/OSI-420-Desmethyl-Erlotinib,CP-473420.html

$$$$
PIK 293.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (143)
149

>  <Formula> (143)
C22H19N7O

>  <MolWeight> (143)
397.43256

>  <Cat> (143)
S2207

>  <Name> (143)
PIK-293

>  <Synonyms> (143)
N/A

>  <Target> (143)
PI3K

>  <Form> (143)
Free Base

>  <CAS> (143)
900185-01-5 

>  <URL> (143)
http://www.selleckchem.com/products/PIK-293.html

$$$$
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TAK 165, TAK165

>  <Target> (144)
HER2

>  <Form> (144)
Free Base

>  <CAS> (144)
366017-09-6

>  <URL> (144)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
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Torkinib (PP242)

>  <Synonyms> (145)
TORKinib 

>  <Target> (145)
mTOR

>  <Form> (145)
Free Base

>  <CAS> (145)
1092351-67-1

>  <URL> (145)
http://www.selleckchem.com/products/PP242.html

$$$$
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SB590885

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GSK2118436 

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Raf

>  <Form> (146)
Free Base

>  <CAS> (146)
405554-55-4 

>  <URL> (146)
http://www.selleckchem.com/products/SB590885.html

$$$$
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>  <Name> (147)
(-)-Epigallocatechin gallate

>  <Synonyms> (147)
EGCG

>  <Target> (147)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (147)
Free Base

>  <CAS> (147)
989-51-5

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

$$$$
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.4951    0.0000 C   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    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
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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
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 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
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (148)
156

>  <Formula> (148)
C15H10O5

>  <MolWeight> (148)
270.2369

>  <Cat> (148)
S2262

>  <Name> (148)
Apigenin

>  <Synonyms> (148)
N/A

>  <Target> (148)
P450

>  <Form> (148)
Free Base

>  <CAS> (148)
520-36-5

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

$$$$
Asiatic acid.cdx
csChFnd80/06102009162D

 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
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    4.8455    5.2249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    6.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 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> (149)
157

>  <Formula> (149)
C30H48O5

>  <MolWeight> (149)
488.69912

>  <Cat> (149)
S2266

>  <Name> (149)
Asiatic acid

>  <Synonyms> (149)
N/A

>  <Target> (149)
p38 MAPK

>  <Form> (149)
Free Base

>  <CAS> (149)
464-92-6

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

$$$$
Emodin.cdx
csChFnd80/06102009162D

 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
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    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> (150)
158

>  <Formula> (150)
C15H10O5

>  <MolWeight> (150)
270.2369

>  <Cat> (150)
S2295

>  <Name> (150)
Emodin

>  <Synonyms> (150)
N/A

>  <Target> (150)
Dehydrogenase

>  <Form> (150)
Free Base

>  <CAS> (150)
518-82-1

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

$$$$
Formononetin.cdx
csChFnd80/06102009162D

 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
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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
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  1  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  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
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 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> (151)
159

>  <Formula> (151)
C16H12O4

>  <MolWeight> (151)
268.26408

>  <Cat> (151)
S2299

>  <Name> (151)
Formononetin (Formononetol)

>  <Synonyms> (151)
Biochanin B, Formononetol 

>  <Target> (151)
Others

>  <Form> (151)
Free Base

>  <CAS> (151)
485-72-3

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

$$$$
Fumalic acid.cdx
csChFnd80/06102009162D

 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> (152)
160

>  <Formula> (152)
C10H10O4

>  <MolWeight> (152)
194.184

>  <Cat> (152)
S2300

>  <Name> (152)
Fumalic acid (Ferulic acid)

>  <Synonyms> (152)
Ferulic acid

>  <Target> (152)
Others

>  <Form> (152)
Free Base

>  <CAS> (152)
1135-24-6

>  <URL> (152)
http://www.selleckchem.com/products/Fumalic-acid(Ferulic-acid).html

$$$$
Honokiol.cdx
csChFnd80/06102009162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  1 13  1  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (153)
161

>  <Formula> (153)
C18H18O2

>  <MolWeight> (153)
266.33432

>  <Cat> (153)
S2310

>  <Name> (153)
Honokiol

>  <Synonyms> (153)
N/A

>  <Target> (153)
Akt, MEK

>  <Form> (153)
Free Base

>  <CAS> (153)
35354-74-6

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

$$$$
Myricetin.cdx
csChFnd80/06102009162D

 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
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    7.2662    1.3976    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    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
   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
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  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
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 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
M  END
>  <Mol_ID> (154)
162

>  <Formula> (154)
C15H10O8

>  <MolWeight> (154)
318.2351

>  <Cat> (154)
S2326

>  <Name> (154)
Myricetin (Cannabiscetin)

>  <Synonyms> (154)
Cannabiscetin, Myricetol, Myricitin

>  <Target> (154)
NULL

>  <Form> (154)
Free Base

>  <CAS> (154)
529-44-2

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

$$$$
Myricitrin.cdx
csChFnd80/06102009162D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (155)
163

>  <Formula> (155)
C21H20O12

>  <MolWeight> (155)
464.3763

>  <Cat> (155)
S2327

>  <Name> (155)
Myricitrin (Myricitrine)

>  <Synonyms> (155)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (155)
PKC

>  <Form> (155)
Free Base

>  <CAS> (155)
17912-87-7

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

$$$$
Dihydromyricetin.cdx
csChFnd80/06102009162D

 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
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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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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> (156)
164

>  <Formula> (156)
C15H12O8

>  <MolWeight> (156)
320.25098

>  <Cat> (156)
S2399

>  <Name> (156)
Dihydromyricetin (Ampeloptin)

>  <Synonyms> (156)
Ampeloptin, Ampelopsin,(+)-Ampelopsin, (+)-Dihydromyricetin 

>  <Target> (156)
Others

>  <Form> (156)
Free Base

>  <CAS> (156)
27200-12-0

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

$$$$
Chrysophanic acid.cdx
csChFnd80/06102009162D

 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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  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> (157)
165

>  <Formula> (157)
C15H10O4

>  <MolWeight> (157)
254.2375

>  <Cat> (157)
S2406

>  <Name> (157)
Chrysophanic acid (Chrysophanol)

>  <Synonyms> (157)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (157)
EGFR, mTOR

>  <Form> (157)
Free Base

>  <CAS> (157)
481-74-3

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

$$$$
Curcumol.cdx
csChFnd80/06102009162D

 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
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    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
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    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
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4871-97-0

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152459-95-5

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>  <Mol_ID> (162)
170

>  <Formula> (162)
C26H35N7O2S

>  <MolWeight> (162)
509.6668

>  <Cat> (162)
S2692

>  <Name> (162)
TG101209

>  <Synonyms> (162)
N/A

>  <Target> (162)
Flt, JAK, c-RET

>  <Form> (162)
Free Base

>  <CAS> (162)
936091-14-4

>  <URL> (162)
http://www.selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (163)
171

>  <Formula> (163)
C28H21N7OS

>  <MolWeight> (163)
503.57764

>  <Cat> (163)
S2719

>  <Name> (163)
AMG 900

>  <Synonyms> (163)
N/A

>  <Target> (163)
Aurora Kinase

>  <Form> (163)
Free Base

>  <CAS> (163)
945595-80-2

>  <URL> (163)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (164)
172

>  <Formula> (164)
C22H30Cl2N4O6

>  <MolWeight> (164)
517.4028

>  <Cat> (164)
S2485

>  <Name> (164)
Mitoxantrone 2HCl

>  <Synonyms> (164)
NSC-301739

>  <Target> (164)
Topoisomerase

>  <Form> (164)
Dihydrochloride

>  <CAS> (164)
70476-82-3

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

$$$$
GSK2126458.cdx
csChFnd80/06102009162D

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173

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C25H17F2N5O3S

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Omipalisib (GSK2126458, GSK458)

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N/A 

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PI3K, mTOR

>  <Form> (165)
Free Base

>  <CAS> (165)
1086062-66-9 

>  <URL> (165)
http://www.selleckchem.com/products/gsk2126458.html

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174

>  <Formula> (166)
C19H34ClNO2

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343.93176

>  <Cat> (166)
S5002

>  <Name> (166)
Fingolimod (FTY720) HCl

>  <Synonyms> (166)
Gilenia 

>  <Target> (166)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (166)
Hydrochloride

>  <URL> (166)
http://www.selleckchem.com/products/FTY720.html

$$$$
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176

>  <Formula> (167)
C22H18FN7O

>  <MolWeight> (167)
415.4230232

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S2226

>  <Name> (167)
CAL-101 (GS-1101)

>  <Synonyms> (167)
CAL101

>  <Target> (167)
PI3K 

>  <Form> (167)
Free Base

>  <CAS> (167)
870281-82-6

>  <URL> (167)
http://www.selleckchem.com/products/CAL-101.html

$$$$
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BI6727 (Volasertib)

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N/A 

>  <Target> (168)
PLK 

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Free Base

>  <CAS> (168)
755038-65-4

>  <URL> (168)
http://www.selleckchem.com/products/BI6727-Volasertib.html

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C28H23N7O2

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PIK-294

>  <Synonyms> (169)
N/A 

>  <Target> (169)
PI3K 

>  <Form> (169)
Free Base

>  <CAS> (169)
900185-02-6

>  <URL> (169)
http://www.selleckchem.com/products/PIK-294.html

$$$$
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csChFnd80/06102009162D

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>  <Mol_ID> (170)
179

>  <Formula> (170)
C20H16ClN5O3

>  <MolWeight> (170)
409.82574

>  <Cat> (170)
S2231

>  <Name> (170)
Telatinib (BAY 57-9352)

>  <Synonyms> (170)
N/A 

>  <Target> (170)
VEGFR, PDGFR, c-Kit

>  <Form> (170)
Free Base

>  <CAS> (170)
332012-40-5

>  <URL> (170)
http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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Phenformin hydrochloride.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (171)
180

>  <Formula> (171)
C10H16ClN5

>  <MolWeight> (171)
241.72054

>  <Cat> (171)
S2542

>  <Name> (171)
Phenformin hydrochloride 

>  <Synonyms> (171)
N/A

>  <Target> (171)
AMPK

>  <Form> (171)
Hydrochloride 

>  <CAS> (171)
834-28-6

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

$$$$
AZD5438.cdx
csChFnd80/06102009162D

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181

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C18H21N5O2S

>  <MolWeight> (172)
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>  <Name> (172)
AZD5438

>  <Synonyms> (172)
N/A 

>  <Target> (172)
CDK

>  <Form> (172)
Free Base

>  <CAS> (172)
602306-29-6 

>  <URL> (172)
http://www.selleckchem.com/products/AZD5438.html

$$$$
OSI-027.cdx
csChFnd80/06102009162D

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OSI-027

>  <Synonyms> (173)
N/A 

>  <Target> (173)
mTOR

>  <Form> (173)
Free Base

>  <CAS> (173)
936890-98-1

>  <URL> (173)
http://www.selleckchem.com/products/OSI027.html

$$$$
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1092788-83-4

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http://www.selleckchem.com/products/PP121.html

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PI3K

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944396-07-0

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>  <Target> (176)
PKC

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Free Base

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1009820-21-6

>  <URL> (176)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

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700874-72-2

>  <URL> (177)
http://www.selleckchem.com/products/ly2157299.html

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601514-19-6

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http://www.selleckchem.com/products/TWS119.html

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871700-17-3

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http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

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c-Met

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477575-56-7

>  <URL> (197)
http://www.selleckchem.com/products/PHA-665752.html

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N/A

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HSP

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>  <CAS> (198)
30562-34-6

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

$$$$
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1116235-97-2

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218

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C23H30N8O3S

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>  <Name> (206)
Apitolisib (GDC-0980, RG7422)

>  <Synonyms> (206)
N/A 

>  <Target> (206)
mTOR, PI3K

>  <Form> (206)
Free Base

>  <CAS> (206)
1032754-93-0

>  <URL> (206)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

$$$$
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csChFnd80/06102009162D

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>  <Mol_ID> (207)
219

>  <Formula> (207)
C21H21Cl2NO5

>  <MolWeight> (207)
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>  <Cat> (207)
S2679

>  <Name> (207)
Flavopiridol (Alvocidib) HCl

>  <Synonyms> (207)
N/A

>  <Target> (207)
CDK

>  <Form> (207)
Hydrochloride

>  <CAS> (207)
131740-09-5

>  <URL> (207)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
PH797804.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (208)
220

>  <Formula> (208)
C22H19BrF2N2O3

>  <MolWeight> (208)
477.2986664

>  <Cat> (208)
S2726

>  <Name> (208)
PH-797804

>  <Synonyms> (208)
N/A

>  <Target> (208)
p38 MAPK

>  <Form> (208)
Free Base

>  <CAS> (208)
586379-66-0

>  <URL> (208)
http://www.selleckchem.com/products/ph-797804.html

$$$$
PF299804.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (209)
221

>  <Formula> (209)
C24H25ClFN5O2

>  <MolWeight> (209)
469.9390032

>  <Cat> (209)
S2727

>  <Name> (209)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (209)
N/A

>  <Target> (209)
EGFR

>  <Form> (209)
Free Base

>  <CAS> (209)
1110813-31-4

>  <URL> (209)
http://www.selleckchem.com/products/pf299804.html

$$$$
SB415286.cdx
csChFnd80/06102009162D

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CDK

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779353-01-4

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1010085-13-8

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M  END
>  <Mol_ID> (215)
227

>  <Formula> (215)
C16H14ClN3O2

>  <MolWeight> (215)
315.75426

>  <Cat> (215)
S2728

>  <Name> (215)
AG-1478 (Tyrphostin AG-1478)

>  <Synonyms> (215)
Tyrphostin AG-1478

>  <Target> (215)
EGFR

>  <Form> (215)
Free Base

>  <CAS> (215)
153436-53-4

>  <URL> (215)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

$$$$
PF-04691502.cdx
csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (216)
228

>  <Formula> (216)
C22H27N5O4

>  <MolWeight> (216)
425.48088

>  <Cat> (216)
S2743

>  <Name> (216)
PF-04691502

>  <Synonyms> (216)
N/A

>  <Target> (216)
mTOR, PI3K, Akt

>  <Form> (216)
Free Base

>  <CAS> (216)
1013101-36-4 

>  <URL> (216)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Benidipine hydrochloride.cdx
csChFnd80/06102009162D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (217)
229

>  <Formula> (217)
C28H32ClN3O6

>  <MolWeight> (217)
542.02318

>  <Cat> (217)
S2017

>  <Name> (217)
Benidipine hydrochloride

>  <Synonyms> (217)
N/A

>  <Target> (217)
calcium channel

>  <Form> (217)
Hydrochloride

>  <CAS> (217)
91599-74-5

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

$$$$
Lonidamine.cdx
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
230

>  <Formula> (218)
C15H10Cl2N2O2

>  <MolWeight> (218)
321.1581

>  <Cat> (218)
S2610

>  <Name> (218)
Lonidamine

>  <Synonyms> (218)
N/A

>  <Target> (218)
Others

>  <Form> (218)
Free Base

>  <CAS> (218)
50264-69-2

>  <URL> (218)
http://www.selleckchem.com/products/lonidamine.html

$$$$
AMG 458.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (219)
231

>  <Formula> (219)
C30H29N5O5

>  <MolWeight> (219)
539.58176

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AMG458

>  <Synonyms> (219)
N/A

>  <Target> (219)
c-Met

>  <Form> (219)
Free Base

>  <CAS> (219)
913376-83-7 

>  <URL> (219)
http://www.selleckchem.com/products/amg458.html

$$$$
Arry-380.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (220)
232

>  <Formula> (220)
C29H27N7O4S

>  <MolWeight> (220)
569.63418

>  <Cat> (220)
S2752

>  <Name> (220)
HER2 Inhibitor 1

>  <Synonyms> (220)
N/A

>  <Target> (220)
HER2, EGFR

>  <Form> (220)
Free Base

>  <CAS> (220)
937265-83-3

>  <URL> (220)
http://www.selleckchem.com/products/arry-380.html

$$$$
PHA-848125.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (221)
233

>  <Formula> (221)
C25H32N8O

>  <MolWeight> (221)
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>  <Cat> (221)
S2751

>  <Name> (221)
PHA-848125

>  <Synonyms> (221)
N/A

>  <Target> (221)
CDK

>  <Form> (221)
Free Base

>  <CAS> (221)
802539-81-7

>  <URL> (221)
http://www.selleckchem.com/products/pha-848125.html

$$$$
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csChFnd80/06102009162D

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TGF-beta/Smad

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Free Base

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452342-67-5

>  <URL> (223)
http://www.selleckchem.com/products/gw788388.html

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EGFR, HER2

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Maleate

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1245537-68-1

>  <URL> (225)
http://www.selleckchem.com/products/nvp-bgt226.html

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YM201636.cdx
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PI3K 

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Free Base

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371942-69-7

>  <URL> (226)
http://www.selleckchem.com/products/ym201636.html

$$$$
3-Methyladenine.cdx
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M  END
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241

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C6H7N5

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3-Methyladenine (3-MA)

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3-MA

>  <Target> (227)
PI3K

>  <Form> (227)
Free Base

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5142-23-4

>  <URL> (227)
http://www.selleckchem.com/products/3-methyladenine.html

$$$$
ARQ-197.cdx
csChFnd80/06102009162D

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242

>  <Formula> (228)
C23H19N3O2

>  <MolWeight> (228)
369.41586

>  <Cat> (228)
S2753

>  <Name> (228)
ARQ 197 (Tivantinib)

>  <Synonyms> (228)
N/A 

>  <Target> (228)
c-Met

>  <Form> (228)
Free Base

>  <CAS> (228)
905854-02-6

>  <URL> (228)
http://www.selleckchem.com/products/arq-197.html

$$$$
BX-795.cdx
csChFnd80/06102009162D

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243

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C23H26IN7O2S

>  <MolWeight> (229)
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>  <Cat> (229)
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BX-795

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N/A

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PDK-1, IKK

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Free Base

>  <CAS> (229)
702675-74-9

>  <URL> (229)
http://www.selleckchem.com/products/bx-795.html

$$$$
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>  <Target> (230)
PDK-1 

>  <Form> (230)
Free Base

>  <CAS> (230)
702674-56-4

>  <URL> (230)
http://www.selleckchem.com/products/bx-912.html

$$$$
NVP-BVU972.cdx
csChFnd80/06102009162D

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245

>  <Formula> (231)
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>  <MolWeight> (231)
340.38124

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NVP-BVU972

>  <Synonyms> (231)
N/A

>  <Target> (231)
c-Met

>  <Form> (231)
Free Base

>  <CAS> (231)
1185763-69-2

>  <URL> (231)
http://www.selleckchem.com/products/nvp-bvu972.html

$$$$
CUDC-907.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (232)
246

>  <Formula> (232)
C23H24N8O4S

>  <MolWeight> (232)
508.55286

>  <Cat> (232)
S2759

>  <Name> (232)
CUDC-907

>  <Synonyms> (232)
N/A

>  <Target> (232)
HDAC, PI3K

>  <Form> (232)
Free Base

>  <CAS> (232)
1339928-25-4

>  <URL> (232)
http://www.selleckchem.com/products/cudc-907.html

$$$$

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>  <Mol_ID> (233)
247

>  <Formula> (233)
C27H33FN6O7

>  <MolWeight> (233)
572.5853232

>  <Cat> (233)
S2769

>  <Name> (233)
Dovitinib Dilactic acid (TKI258 Dilactic aci

>  <Synonyms> (233)
CHIR-258 Dilactic acid 

>  <Target> (233)
Flt, FGFR, PDGFR, VEGFR, c-Kit

>  <Form> (233)
Dilactic Acid 

>  <CAS> (233)
852433-84-2

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

$$$$
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csChFnd80/06102009162D

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694433-59-5

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http://www.selleckchem.com/products/sb-505124.html

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>  <Mol_ID> (238)
252

>  <Formula> (238)
C14H11N3O3S

>  <MolWeight> (238)
301.32044

>  <Cat> (238)
S2775

>  <Name> (238)
Nocodazole

>  <Synonyms> (238)
N/A 

>  <Target> (238)
Microtubule Associated

>  <Form> (238)
Free Base

>  <CAS> (238)
31430-18-9

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

$$$$
AZD2014.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (239)
253

>  <Formula> (239)
C25H30N6O3

>  <MolWeight> (239)
462.5441

>  <Cat> (239)
S2783

>  <Name> (239)
Vistusertib (AZD2014)

>  <Synonyms> (239)
N/A 

>  <Target> (239)
mTOR

>  <Form> (239)
Free Base

>  <CAS> (239)
1009298-59-2

>  <URL> (239)
http://www.selleckchem.com/products/azd2014.html

$$$$
TAK-285.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (240)
254

>  <Formula> (240)
C26H25ClF3N5O3

>  <MolWeight> (240)
547.9566096

>  <Cat> (240)
S2784

>  <Name> (240)
TAK-285

>  <Synonyms> (240)
N/A

>  <Target> (240)
EGFR, HER2

>  <Form> (240)
Free Base

>  <CAS> (240)
871026-44-7

>  <URL> (240)
http://www.selleckchem.com/products/tak-285.html

$$$$
Piceatannol.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (241)
257

>  <Formula> (241)
C14H12O4

>  <MolWeight> (241)
244.24268

>  <Cat> (241)
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>  <Name> (241)
Piceatannol

>  <Synonyms> (241)
N/A 

>  <Target> (241)
Others

>  <Form> (241)
Free Base

>  <CAS> (241)
10083-24-6

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/06102009162D

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193275-84-2

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http://www.selleckchem.com/products/lonafarnib-sch66336.html

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1223001-51-1

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1217486-61-7

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>  <URL> (259)
http://www.selleckchem.com/products/imd-0354.html

$$$$
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277

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S2859

>  <Name> (260)
Golvatinib (E7050) 

>  <Synonyms> (260)
E7050

>  <Target> (260)
c-Met, VEGFR

>  <Form> (260)
Free Base

>  <CAS> (260)
928037-13-2

>  <URL> (260)
http://www.selleckchem.com/products/golvatinib-e7050.html

$$$$
WHI-P154.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (261)
278

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S2867

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WHI-P154

>  <Synonyms> (261)
N/A

>  <Target> (261)
JAK, EGFR

>  <Form> (261)
Free Base

>  <CAS> (261)
211555-04-3

>  <URL> (261)
http://www.selleckchem.com/products/whi-p154.html

$$$$
Schisandrin B.cdx
csChFnd80/06102009162D

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279

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C23H28O6

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S3600

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Schisandrin B

>  <Synonyms> (262)
N/A

>  <Target> (262)
Others

>  <Form> (262)
Free Base

>  <CAS> (262)
61281-37-6

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

$$$$
IKK-16.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (268)
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C16H13ClFN3O2

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>  <Cat> (268)
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>  <Synonyms> (268)
N/A

>  <Target> (268)
VEGFR

>  <Form> (268)
Free Base

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690206-97-4

>  <URL> (268)
http://www.selleckchem.com/products/zm-306416.html

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/06102009162D

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288

>  <Formula> (269)
C19H21ClFNO3

>  <MolWeight> (269)
365.8263432

>  <Cat> (269)
S3005

>  <Name> (269)
Paroxetine HCl

>  <Synonyms> (269)
N/A

>  <Target> (269)
5-HT Receptor

>  <Form> (269)
Hydrochloride

>  <CAS> (269)
78246-49-8

>  <URL> (269)
http://www.selleckchem.com/products/paroxetine-hcl.html

$$$$
PF477736.cdx
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>  <Mol_ID> (270)
289

>  <Formula> (270)
C22H25N7O2

>  <MolWeight> (270)
419.4796

>  <Cat> (270)
S2904

>  <Name> (270)
PF 477736

>  <Synonyms> (270)
PF-00477736

>  <Target> (270)
Chk

>  <Form> (270)
Free Base

>  <CAS> (270)
952021-60-2

>  <URL> (270)
http://www.selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/06102009162D

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290

>  <Formula> (271)
C26H26N4O3

>  <MolWeight> (271)
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>  <Name> (271)
Go 6983

>  <Synonyms> (271)
N/A

>  <Target> (271)
PKC

>  <Form> (271)
Free Base

>  <CAS> (271)
133053-19-7

>  <URL> (271)
http://www.selleckchem.com/products/go-6983.html

$$$$
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>  <Mol_ID> (276)
295

>  <Formula> (276)
C24H21N3OS

>  <MolWeight> (276)
399.50804

>  <Cat> (276)
S2928

>  <Name> (276)
TAK 715

>  <Synonyms> (276)
N/A 

>  <Target> (276)
p38 MAPK

>  <Form> (276)
Free Base

>  <CAS> (276)
303162-79-0

>  <URL> (276)
http://www.selleckchem.com/products/tak-715.html

$$$$
TDZD-8.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (277)
296

>  <Formula> (277)
C10H10N2O2S

>  <MolWeight> (277)
222.2636

>  <Cat> (277)
S2926

>  <Name> (277)
TDZD-8

>  <Synonyms> (277)
N/A

>  <Target> (277)
GSK-3

>  <Form> (277)
Free Base

>  <CAS> (277)
327036-89-5 

>  <URL> (277)
http://www.selleckchem.com/products/tdzd-8.html

$$$$
H-89.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (278)
297

>  <Formula> (278)
C20H22BrCl2N3O2S

>  <MolWeight> (278)
519.28258

>  <Cat> (278)
S1582

>  <Name> (278)
H 89 2HCl

>  <Synonyms> (278)
N/A

>  <Target> (278)
S6 Kinase

>  <Form> (278)
Dihydrochloride

>  <CAS> (278)
130964-39-5

>  <URL> (278)
http://www.selleckchem.com/products/H-89-dihydrochloride.html

$$$$
Oxfendazole.cdx
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
298

>  <Formula> (279)
C15H13N3O3S

>  <MolWeight> (279)
315.34702

>  <Cat> (279)
S1830

>  <Name> (279)
Oxfendazole

>  <Synonyms> (279)
N/A

>  <Target> (279)
Antifection

>  <Form> (279)
Free Base

>  <CAS> (279)
53716-50-0

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

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (280)
299

>  <Formula> (280)
C18H23Cl2NO

>  <MolWeight> (280)
340.28732

>  <Cat> (280)
S2499

>  <Name> (280)
Phenoxybenzamine HCl

>  <Synonyms> (280)
N/A

>  <Target> (280)
Androgen Receptor

>  <Form> (280)
HCl

>  <CAS> (280)
63-92-3

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

$$$$
Pazopanib.cdx
csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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C21H23N7O2S

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Pazopanib

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N/A

>  <Target> (281)
VEGFR

>  <Form> (281)
Free Base

>  <CAS> (281)
444731-52-6

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

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374.3166296

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S2899

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GNF-2

>  <Synonyms> (282)
N/A

>  <Target> (282)
Bcr-Abl

>  <Form> (282)
Free Base

>  <CAS> (282)
778270-11-4

>  <URL> (282)
http://www.selleckchem.com/products/gnf-2.html

$$$$
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303

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C26H23N5O

>  <MolWeight> (283)
421.49372

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S1091

>  <Name> (283)
OSI-906 (Linsitinib)

>  <Synonyms> (283)
N/A

>  <Target> (283)
IGF-1R

>  <Form> (283)
Free Base

>  <CAS> (283)
867160-71-2

>  <URL> (283)
http://www.selleckchem.com/products/OSI-906.html

$$$$
aicar.cdx
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304

>  <Formula> (284)
C9H14N4O5

>  <MolWeight> (284)
258.23126

>  <Cat> (284)
S1802

>  <Name> (284)
AICAR (Acadesine)

>  <Synonyms> (284)
AICAR, AICA-riboside

>  <Target> (284)
AMPK

>  <Form> (284)
Free Base

>  <CAS> (284)
2627-69-2

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

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/06102009162D

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305

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C32H30FN3O10

>  <MolWeight> (285)
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>  <Cat> (285)
S4001

>  <Name> (285)
Cabozantinib malate

>  <Synonyms> (285)
N/A

>  <Target> (285)
VEGFR

>  <Form> (285)
Malate

>  <CAS> (285)
1140909-48-3

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

$$$$
PF-04708671.cdx
csChFnd80/06102009162D

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306

>  <Formula> (286)
C19H21F3N6

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390.4054496

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>  <Name> (286)
PF-4708671

>  <Synonyms> (286)
PF-04708671

>  <Target> (286)
S6 Kinase

>  <Form> (286)
Free Base

>  <CAS> (286)
1255517-76-0

>  <URL> (286)
http://www.selleckchem.com/products/pf-4708671.html

$$$$
sennoside B.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (287)
308

>  <Formula> (287)
C42H38O20

>  <MolWeight> (287)
862.73912

>  <Cat> (287)
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>  <Name> (287)
Sennoside B

>  <Synonyms> (287)
N/A

>  <Target> (287)
Others

>  <Form> (287)
Free Base

>  <CAS> (287)
128-57-4

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

$$$$
JNK-IN-8.cdx
csChFnd80/06102009162D

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209410-46-8

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35943-35-2

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923032-37-5

>  <URL> (294)
http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

$$$$
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Dicoumarol

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Dicumarol

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Others

>  <Form> (295)
Free Base

>  <CAS> (295)
66-76-2

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

$$$$
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EGFR

>  <Form> (296)
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>  <URL> (296)
http://www.selleckchem.com/products/BIBW2992.html

$$$$
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C56H87NO16

>  <MolWeight> (297)
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Temsirolimus (CCI-779, NSC 683864)

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N/A

>  <Target> (297)
mTOR

>  <Form> (297)
Free Base

>  <CAS> (297)
162635-04-3

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

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/06102009162D

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320

>  <Formula> (298)
C25H31N7O6

>  <MolWeight> (298)
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>  <Cat> (298)
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>  <Name> (298)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (298)
N/A

>  <Target> (298)
FLT3

>  <Form> (298)
Free Base

>  <CAS> (298)
1291074-87-7

>  <URL> (298)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
PF-2341066.cdx
csChFnd80/06102009162D

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321

>  <Formula> (299)
C21H22Cl2FN5O

>  <MolWeight> (299)
450.3366832

>  <Cat> (299)
S1068

>  <Name> (299)
Crizotinib (PF-02341066)

>  <Synonyms> (299)
N/A 

>  <Target> (299)
c-Met, ALK

>  <Form> (299)
Free Base

>  <CAS> (299)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (299)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
BMS-599626 (AC480).cdx
csChFnd80/06102009162D

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C27H27FN8O3

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AC480 (BMS-599626)

>  <Synonyms> (300)
N/A

>  <Target> (300)
HER2

>  <Form> (300)
Free Base

>  <CAS> (300)
714971-09-2

>  <URL> (300)
http://www.selleckchem.com/products/BMS-599626.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/06102009162D

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    2.4207    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    7.6903    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
    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
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 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
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 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> (301)
324

>  <Formula> (301)
C21H20ClNO5

>  <MolWeight> (301)
401.8402

>  <Cat> (301)
S1230

>  <Name> (301)
Flavopiridol (Alvocidib)

>  <Synonyms> (301)
NSC 649890 HCl,HMR-1275

>  <Target> (301)
CDK

>  <Form> (301)
Free Base

>  <CAS> (301)
146426-40-6

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

$$$$

csChFnd80/06102009162D

 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
    9.6995    3.5000    0.0000 Li  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
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 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
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  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> (302)
325

>  <Formula> (302)
C6H13Li3O11

>  <MolWeight> (302)
281.98382

>  <Cat> (302)
S4519

>  <Name> (302)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (302)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <CAS> (302)
6080-58-6

>  <URL> (302)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/06102009162D

 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> (303)
326

>  <Formula> (303)
C6H12O5

>  <MolWeight> (303)
164.15648

>  <Cat> (303)
S4701

>  <Name> (303)
2-Deoxy-D-glucose

>  <Synonyms> (303)
2-deoxyglucose, NSC 15193

>  <Target> (303)
Others

>  <Form> (303)
Free Base

>  <CAS> (303)
154-17-6

>  <URL> (303)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/06102009162D

 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
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
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    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
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    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
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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
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 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  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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 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (304)
327

>  <Formula> (304)
C21H26ClN3OS

>  <MolWeight> (304)
403.96864

>  <Cat> (304)
S4731

>  <Name> (304)
Perphenazine

>  <Synonyms> (304)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (304)
Dopamine Receptor

>  <Form> (304)
Free Base

>  <CAS> (304)
58-39-9

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

$$$$
S4736 Trapidil.cdx
csChFnd80/06102009162D

 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
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    0.0000    4.2000    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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 10 11  1  0  0  0  0
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 11 14  1  0  0  0  0
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  1  2  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
>  <Mol_ID> (305)
328

>  <Formula> (305)
C10H15N5

>  <MolWeight> (305)
205.2596

>  <Cat> (305)
S4736

>  <Name> (305)
Trapidil

>  <Synonyms> (305)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (305)
PDGFR

>  <Form> (305)
Free Base

>  <CAS> (305)
15421-84-8

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

$$$$
S4743 Wogonin.cdx
csChFnd80/06102009162D

 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
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    6.0572    4.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    6.2916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2051    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 16  1  0  0  0  0
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 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> (306)
329

>  <Formula> (306)
C16H12O5

>  <MolWeight> (306)
284.26348

>  <Cat> (306)
S4743

>  <Name> (306)
Wogonin

>  <Synonyms> (306)
Vogonin

>  <Target> (306)
CDK

>  <Form> (306)
Free Base

>  <CAS> (306)
632-85-9

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

$$$$
NS-187.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (307)
330

>  <Formula> (307)
C30H31F3N8O

>  <MolWeight> (307)
576.6153496

>  <Cat> (307)
S1369

>  <Name> (307)
Bafetinib (INNO-406)

>  <Synonyms> (307)
NS-187

>  <Target> (307)
Abl,Lyn

>  <Form> (307)
Free Base

>  <CAS> (307)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (308)
331

>  <Formula> (308)
C37H42Cl2N2O6

>  <MolWeight> (308)
681.64518

>  <Cat> (308)
S3609

>  <Name> (308)
Berbamine (dihydrochloride)

>  <Synonyms> (308)
N/A

>  <Target> (308)
NF-¦ÊB,bcr/abl

>  <Form> (308)
dihydrochloride

>  <CAS> (308)
6078-17-7

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

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (309)
332

>  <Formula> (309)
C18H16O8

>  <MolWeight> (309)
360.31484

>  <Cat> (309)
S3612

>  <Name> (309)
Rosmarinic acid

>  <Synonyms> (309)
Rosemary acid

>  <Target> (309)
IKK ¦Â

>  <Form> (309)
free base

>  <CAS> (309)
20283-92-5

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

$$$$
S3606 Fangchinoline.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (310)
333

>  <Formula> (310)
C37H40N2O6

>  <MolWeight> (310)
608.7233

>  <Cat> (310)
S3606

>  <Name> (310)
Fangchinoline

>  <Synonyms> (310)
N/A

>  <Target> (310)
HIV-1

>  <Form> (310)
free base

>  <CAS> (310)
33889-68-8

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/06102009162D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (311)
334

>  <Formula> (311)
C4H7NO2

>  <MolWeight> (311)
101.10388

>  <Cat> (311)
S3699

>  <Name> (311)
2,3-Butanedione-2-monoxime

>  <Synonyms> (311)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (311)
skeletal muscle myosin-II

>  <Form> (311)
free base

>  <CAS> (311)
57-71-6

>  <URL> (311)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (312)
335

>  <Formula> (312)
C48H78O19

>  <MolWeight> (312)
959.12152

>  <Cat> (312)
S3616

>  <Name> (312)
Asiaticoside

>  <Synonyms> (312)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (312)
Others

>  <Form> (312)
free base

>  <CAS> (312)
16830-15-2

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

$$$$
S3615 Dehydrocostus Lactone.cdx
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (313)
336

>  <Formula> (313)
C15H18O2

>  <MolWeight> (313)
230.30222

>  <Cat> (313)
S3615

>  <Name> (313)
Dehydrocostus Lactone

>  <Synonyms> (313)
N/A

>  <Target> (313)
 IKK¦Â

>  <Form> (313)
free base

>  <CAS> (313)
477-43-0

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/06102009162D

 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
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  2  6  1  0  0  0  0
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  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (314)
337

>  <Formula> (314)
C11H8O3

>  <MolWeight> (314)
188.17942

>  <Cat> (314)
S3661

>  <Name> (314)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (314)
N/A

>  <Target> (314)
PKC

>  <Form> (314)
free base

>  <CAS> (314)
2348-82-5

>  <URL> (314)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3648 Amlexanox.cdx
csChFnd80/06102009162D

 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
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    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
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    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
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   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
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  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 10 14  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (315)
338

>  <Formula> (315)
C16H14N2O4

>  <MolWeight> (315)
298.29336

>  <Cat> (315)
S3648

>  <Name> (315)
Amlexanox

>  <Synonyms> (315)
AA-673, CHX-3673

>  <Target> (315)
TBK1,IKK-¦Å

>  <Form> (315)
free base

>  <CAS> (315)
68302-57-8

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

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/06102009162D

 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
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    0.0000    4.5022    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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  6 11  2  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (316)
340

>  <Formula> (316)
C13H13ClN2O

>  <MolWeight> (316)
248.70812

>  <Cat> (316)
S3817

>  <Name> (316)
Harmine hydrochloride

>  <Synonyms> (316)
telepathine hydrochloride

>  <Target> (316)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (316)
hydrochloride

>  <CAS> (316)
343-27-1

>  <URL> (316)
http://www.selleckchem.com/products/harmine-hydrochloride.html

$$$$
S3824 Quercitrin.cdx
csChFnd80/06102009162D

 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
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    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  6  1  1  0  0  0
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M  END
>  <Mol_ID> (317)
341

>  <Formula> (317)
C21H20O11

>  <MolWeight> (317)
448.3769

>  <Cat> (317)
S3824

>  <Name> (317)
Quercitrin

>  <Synonyms> (317)
3-rhamnosyl quercetin, Sophoretin, Meletin, Xanthaurine

>  <Target> (317)
Others

>  <Form> (317)
free base

>  <CAS> (317)
522-12-3

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/06102009162D

 21 21  0  0  0  0  0  0  0  0999 V2000
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   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (318)
342

>  <Formula> (318)
C17H26O4

>  <MolWeight> (318)
294.38594

>  <Cat> (318)
S3836

>  <Name> (318)
6-Gingerol

>  <Synonyms> (318)
CI-1011

>  <Target> (318)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (318)
free base

>  <CAS> (318)
23513-14-6

>  <URL> (318)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3759 Norcantharidin.cdx
csChFnd80/06102009162D

 12 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (319)
343

>  <Formula> (319)
C8H8O4

>  <MolWeight> (319)
168.14672

>  <Cat> (319)
S3759

>  <Name> (319)
Norcantharidin

>  <Synonyms> (319)
Endothall anhydride

>  <Target> (319)
c-Met,EGFR

>  <Form> (319)
free base

>  <CAS> (319)
29745-04-8

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

$$$$
S3784 Obacunone.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (320)
344

>  <Formula> (320)
C26H30O7

>  <MolWeight> (320)
454.5122

>  <Cat> (320)
S3784

>  <Name> (320)
Obacunone

>  <Synonyms> (320)
N/A

>  <Target> (320)
Nrf2,Aromatase

>  <Form> (320)
free base

>  <CAS> (320)
751-03-1

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

$$$$
S3786 Glabridin.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (321)
345

>  <Formula> (321)
C20H20O4

>  <MolWeight> (321)
324.3704

>  <Cat> (321)
S3786

>  <Name> (321)
Glabridin

>  <Synonyms> (321)
Q-100692, KB-289522, LS-176045

>  <Target> (321)
PPAR¦Ã,¦Á1¦Â2¦Ã2,¦Á1¦Â3¦Ã2,¦Á1¦Â2,¦Á1¦Â1¦Ã2

>  <Form> (321)
free base

>  <CAS> (321)
59870-68-7

>  <URL> (321)
http://www.selleckchem.com/products/glabridin.html

$$$$
S3811 Ginsenoside Re.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (322)
346

>  <Formula> (322)
C48H82O18

>  <MolWeight> (322)
947.15388

>  <Cat> (322)
S3811

>  <Name> (322)
Ginsenoside Re

>  <Synonyms> (322)
 Panaxoside Re, Sanchinoside Re, Chikusetsusaponin Ivc

>  <Target> (322)
Others

>  <Form> (322)
free base

>  <CAS> (322)
52286-59-6

>  <URL> (322)
http://www.selleckchem.com/products/ginsenoside-re.html

$$$$
S3881 Scopoletin.cdx
csChFnd80/06102009162D

 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
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    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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M  END
>  <Mol_ID> (323)
347

>  <Formula> (323)
C10H8O4

>  <MolWeight> (323)
192.16812

>  <Cat> (323)
S3881

>  <Name> (323)
Scopoletin

>  <Synonyms> (323)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (323)
Immunology & Inflammation related

>  <Form> (323)
free base

>  <CAS> (323)
92-61-5

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

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/06102009162D

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 10 14  1  0  0  0  0
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 30 25  1  1  0  0  0
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 26 33  1  6  0  0  0
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 36 43  1  0  0  0  0
 36 44  1  6  0  0  0
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 38 46  1  1  0  0  0
 38 39  1  0  0  0  0
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M  END
>  <Mol_ID> (324)
348

>  <Formula> (324)
C41H68O14

>  <MolWeight> (324)
784.97022

>  <Cat> (324)
S3901

>  <Name> (324)
Astragaloside IV

>  <Synonyms> (324)
AST-IV, AS-IV

>  <Target> (324)
Others

>  <Form> (324)
free base

>  <CAS> (324)
84687-43-4

>  <URL> (324)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/06102009162D

 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
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    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
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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
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  6  7  1  0  0  0  0
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  8 18  1  1  0  0  0
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 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
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 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
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 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (325)
349

>  <Formula> (325)
C20H24O11

>  <MolWeight> (325)
440.39796

>  <Cat> (325)
S3781

>  <Name> (325)
Ginkgolide C

>  <Synonyms> (325)
BN-52022

>  <Target> (325)
Others

>  <Form> (325)
free base

>  <CAS> (325)
15291-76-6

>  <URL> (325)
http://www.selleckchem.com/products/ginkgolide-c.html

$$$$
S3799 Gentisic acid.cdx
csChFnd80/06102009162D

 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
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  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> (326)
350

>  <Formula> (326)
C7H6O4

>  <MolWeight> (326)
154.12014

>  <Cat> (326)
S3799

>  <Name> (326)
Gentisic acid

>  <Synonyms> (326)
 DHB; 2,5-dihydroxybenzoic acid; 5-Hydroxysalicylic acid; Gentianic acid; Carboxyhydroquinone

>  <Target> (326)
Immunology & Inflammation related

>  <Form> (326)
free base

>  <CAS> (326)
490-79-9

>  <URL> (326)
http://www.selleckchem.com/products/gentisic-acid.html

$$$$
S3926 Forsythin.cdx
csChFnd80/06102009162D

 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
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M  END
>  <Mol_ID> (327)
351

>  <Formula> (327)
C27H34O11

>  <MolWeight> (327)
534.55226

>  <Cat> (327)
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>  <Name> (327)
Forsythin

>  <Synonyms> (327)
Phillyrin

>  <Target> (327)
Others

>  <Form> (327)
free base

>  <CAS> (327)
487-41-2

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

$$$$
S3924 Ginsenoside Rb1.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (328)
352

>  <Formula> (328)
C54H92O23

>  <MolWeight> (328)
1109.29448

>  <Cat> (328)
S3924

>  <Name> (328)
Ginsenoside Rb1

>  <Synonyms> (328)
Gypenoside ¢ó

>  <Target> (328)
Others

>  <Form> (328)
free base

>  <CAS> (328)
41753-43-9

>  <URL> (328)
http://www.selleckchem.com/products/ginsenoside-rb1.html

$$$$
S3868 Harmine.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (329)
353

>  <Formula> (329)
C13H12N2O

>  <MolWeight> (329)
212.24718

>  <Cat> (329)
S3868

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Harmine

>  <Synonyms> (329)
telepathine

>  <Target> (329)
PPAR¦Ã,MAO-A

>  <Form> (329)
free base

>  <CAS> (329)
442-51-3

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

$$$$
S4884 Trans-Zeatin.cdx
csChFnd80/06102009162D

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>  <Synonyms> (330)
(E)-Zeatin

>  <Target> (330)
Others

>  <CAS> (330)
1637-39-4

>  <URL> (330)
http://selleckchem.com/products/trans-zeatin.html

$$$$
S3785 Notoginsenoside R1.cdx
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Notoginsenoside R1

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Sanchinoside R1

>  <Target> (331)
Others

>  <Form> (331)
free base

>  <CAS> (331)
80418-24-2

>  <URL> (331)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
GW 5074.cdx
csChFnd80/06102009162D

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356

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GW5074

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N/A

>  <Target> (332)
Raf

>  <Form> (332)
free base

>  <CAS> (332)
220904-83-6

>  <URL> (332)
http://selleckchem.com/products/gw5074.html

$$$$
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M  END
>  <Mol_ID> (333)
357

>  <Formula> (333)
C29H36O15

>  <MolWeight> (333)
624.58714

>  <Cat> (333)
S2323

>  <Name> (333)
Methyl-Hesperidin

>  <Form> (333)
free base

>  <CAS> (333)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06102009162D

 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
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M  END
>  <Mol_ID> (334)
358

>  <Formula> (334)
C19H19ClN6O4S3

>  <MolWeight> (334)
527.03996

>  <Cat> (334)
S1154

>  <Name> (334)
SNS-314 Mesylate

>  <Synonyms> (334)
N/A

>  <Target> (334)
Aurora Kinase

>  <Form> (334)
Mesylate

>  <CAS> (334)
1146618-41-8

>  <URL> (334)
http://www.selleckchem.com/products/SNS-314.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/06102009162D

 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
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   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3538    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (335)
359

>  <Formula> (335)
C21H18O12

>  <MolWeight> (335)
462.36042

>  <Cat> (335)
S3810

>  <Name> (335)
Scutellarin

>  <Synonyms> (335)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (335)
Others

>  <Form> (335)
free base

>  <CAS> (335)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/06102009162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 15 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
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 21 22  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
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 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> (336)
360

>  <Formula> (336)
C24H25ClFN5O3

>  <MolWeight> (336)
485.9384032

>  <Cat> (336)
S1019

>  <Name> (336)
CI-1033 (Canertinib)

>  <Synonyms> (336)
PD-183805 

>  <Target> (336)
EGFR, HER2

>  <Form> (336)
Free Base

>  <CAS> (336)
267243-28-7

>  <URL> (336)
http://www.selleckchem.com/products/CI-1033(Canertinib).html

$$$$
untitled.cdx
csChFnd80/06102009162D

 41 45  0  0  0  0  0  0  0  0999 V2000
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Flt

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Free Base

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387867-13-2

>  <URL> (337)
http://www.selleckchem.com/products/Tandutinib-(MLN518).html

$$$$
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N/A

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VEGFR

>  <Form> (338)
Free Base

>  <CAS> (338)
443913-73-3

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

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Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (339)
N/A

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Akt

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Free Base

>  <CAS> (339)
58066-85-6

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

$$$$
NU7026.cdx
csChFnd80/06102009162D

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>  <CAS> (340)
154447-35-5

>  <URL> (340)
http://www.selleckchem.com/products/nu7026.html

$$$$
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1197958-12-5

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http://www.selleckchem.com/products/ap26113.html

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C21H25ClN6O2

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AZD5363

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N/A

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Akt

>  <Form> (347)
Free Base

>  <CAS> (347)
1143532-39-1

>  <URL> (347)
http://www.selleckchem.com/products/azd5363.html

$$$$
AG-1296.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (348)
373

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C16H14N2O2

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Tyrphostin AG 1296 (AG 1296)

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N/A

>  <Target> (348)
PDGFR

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Free Base

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146535-11-7

>  <URL> (348)
http://www.selleckchem.com/products/tyrphostin-ag-1296-ag-1296.html

$$$$
flt-3 inhibitor I(TCS 359).cdx
csChFnd80/06102009162D

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TCS 359

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N/A

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FLT3

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Free Base

>  <CAS> (349)
301305-73-7

>  <URL> (349)
http://www.selleckchem.com/products/tcs-359.html

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (350)
375

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S4013

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Sodium Monofluorophosphate

>  <Synonyms> (350)
Sodium Fluorophosphate

>  <Target> (350)
Others
phosphatase

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Disodium salt

>  <CAS> (350)
10163-15-2

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

$$$$
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csChFnd80/06102009162D

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376

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PI3K

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1201438-56-3

>  <URL> (351)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
Necrostatin-1.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (352)
377

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C13H13N3OS

>  <MolWeight> (352)
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S8037

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Necrostatin-1

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N/A

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TNF-alpha

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Free Base

>  <CAS> (352)
4311-88-0

>  <URL> (352)
http://www.selleckchem.com/products/necrostatin-1.html

$$$$
GW2580.cdx
csChFnd80/06102009162D

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378

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C20H22N4O3

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366.41368

>  <Cat> (353)
S8042

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GW2580

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N/A

>  <Target> (353)
CSF-1R

>  <Form> (353)
Free Base

>  <CAS> (353)
870483-87-7

>  <URL> (353)
http://www.selleckchem.com/products/gw2580.html

$$$$
Butein.cdx
csChFnd80/06102009162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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379

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C15H12O5

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272.25278

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S8036

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Butein

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N/A

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EGFR

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Free Base

>  <CAS> (354)
487-52-5

>  <URL> (354)
https://www.selleckchem.com/products/butein.html

$$$$
GDC-0349.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (355)
380

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C24H32N6O3

>  <MolWeight> (355)
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S8040

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GDC-0349

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RG7603

>  <Target> (355)
mTOR

>  <Form> (355)
Free Base

>  <CAS> (355)
1207360-89-1

>  <URL> (355)
https://www.selleckchem.com/products/gdc-0349.html

$$$$
NVP-TAE684.cdx
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ALK 

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761439-42-3

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N/A

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c-Met 

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1022150-57-7

>  <URL> (357)
http://www.selleckchem.com/products/SGX-523.html

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SAR245408

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PI3K 

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956958-53-5

>  <URL> (358)
http://www.selleckchem.com/products/XL147.html

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Erlotinib(OSI-744)

>  <Synonyms> (359)
(CP358774, NSC 718781) HCl

>  <Target> (359)
EGFR

>  <Form> (359)
Hydrochloride

>  <CAS> (359)
183319-69-9

>  <URL> (359)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (360)
385

>  <Formula> (360)
C16H15BrClN5O4S

>  <MolWeight> (360)
488.7434

>  <Cat> (360)
S1205

>  <Name> (360)
PIK-75 

>  <Synonyms> (360)
N/A

>  <Target> (360)
PI3K, DNA-PK

>  <Form> (360)
Hydrochloride

>  <CAS> (360)
372196-77-5

>  <URL> (360)
http://www.selleckchem.com/products/PIK-75-Hydrochloride.html

$$$$
S1037.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (361)
386

>  <Formula> (361)
C25H52NO4P

>  <MolWeight> (361)
461.658441

>  <Cat> (361)
S1037

>  <Name> (361)
Perifosine (KRX-0401)

>  <Synonyms> (361)
NSC639966

>  <Target> (361)
Akt

>  <Form> (361)
Free Base

>  <CAS> (361)
157716-52-4

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

$$$$
Ellagic acid.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (362)
387

>  <Formula> (362)
C14H6O8

>  <MolWeight> (362)
302.19264

>  <Cat> (362)
S1327

>  <Name> (362)
Ellagic acid

>  <Synonyms> (362)
N/A

>  <Target> (362)
Topoisomerases

>  <Form> (362)
Free Base

>  <CAS> (362)
476-66-4

>  <URL> (362)
http://www.selleckchem.com/products/Ellagic-acid.html

$$$$
bms-707035.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (363)
388

>  <Formula> (363)
C18H11N3O2S

>  <MolWeight> (363)
333.36384

>  <Cat> (363)
S1360

>  <Name> (363)
GSK1059615

>  <Synonyms> (363)
N/A

>  <Target> (363)
PI3K, mTOR

>  <Form> (363)
Free Base

>  <CAS> (363)
958852-01-2

>  <URL> (363)
http://www.selleckchem.com/products/GSK1059615.html

$$$$
LY2228820.cdx
csChFnd80/06102009162D

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p38 MAPK

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Dimesylate

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862507-23-1

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http://www.selleckchem.com/products/LY2228820.html

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Aurora Kinase

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Free Base

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942947-93-5

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Syk

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Sodium Salt

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1025687-58-4

>  <URL> (366)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

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N/A 

>  <Target> (368)
mTOR, PI3K

>  <Form> (368)
Free Base

>  <CAS> (368)
1197160-78-3

>  <URL> (368)
http://www.selleckchem.com/products/pki587.html

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csChFnd80/06102009162D

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NU7441(KU-57788)

>  <Synonyms> (369)
N/A 

>  <Target> (369)
DNA-PK, PI3K

>  <Form> (369)
Free Base

>  <CAS> (369)
503468-95-9 

>  <URL> (369)
http://www.selleckchem.com/products/nu7441.html

$$$$
SCH 900776.cdx
csChFnd80/06102009162D

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396

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376.25432

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S2735

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MK-8776 (SCH 900776)

>  <Synonyms> (370)
N/A

>  <Target> (370)
CHK

>  <Form> (370)
Free Base

>  <CAS> (370)
891494-63-6

>  <URL> (370)
http://www.selleckchem.com/products/sch-900776.html

$$$$
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Syk

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1370261-97-4,1370261-96-3(free base)

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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

>  <CAS> (381)
403811-55-2

>  <URL> (381)
https://www.selleckchem.com/products/10058-f4.html

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P276-00

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N/A

>  <Target> (382)
CDK

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HCl

>  <CAS> (382)
920113-03-7

>  <URL> (382)
https://www.selleckchem.com/products/p276-00.html

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Src

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172889-26-8

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Ceritinib (LDK378)

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>  <Target> (385)
ALK

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Free Base

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1032900-25-6

>  <URL> (385)
http://www.selleckchem.com/products/ldk378.html

$$$$
LY2835219.cdx
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412

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C28H36F2N8O3S

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abemaciclib (LY2835219)

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N/A

>  <Target> (386)
CDK

>  <Form> (386)
Mesylate

>  <CAS> (386)
1231930-82-7

>  <URL> (386)
http://www.selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
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NU6027

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CDK

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Free Base

>  <CAS> (387)
220036-08-8

>  <URL> (387)
http://www.selleckchem.com/products/nu6027.html

$$$$
Chloroquine phosphate.cdx
csChFnd80/06102009162D

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414

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C18H32ClN3O8P2

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S4157

>  <Name> (388)
Chloroquine Phosphate

>  <Synonyms> (388)
N/A

>  <Target> (388)
Others

>  <Form> (388)
Diphosphate

>  <CAS> (388)
50-63-5

>  <URL> (388)
http://www.selleckchem.com/products/chloroquine-phosphate.html

$$$$
CNX-2006.cdx
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EGFR

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Free Base

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1375465-09-0

>  <URL> (389)
http://www.selleckchem.com/products/cnx-2006.html

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>  <Name> (390)
GZD824 Dimesylate 

>  <Synonyms> (390)
N/A

>  <Target> (390)
Bcr-Abl

>  <Form> (390)
Mesylate

>  <CAS> (390)
1421783-64-3

>  <URL> (390)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/06102009162D

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N/A

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ROCK

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Free Base

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1342278-01-6

>  <URL> (391)
http://www.selleckchem.com/products/rki-1447.html

$$$$
untitled.cdx
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N/A

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ALK

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Free Base

>  <CAS> (392)
1356962-20-3

>  <URL> (392)
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$$$$
PYR 41.cdx
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Free Base

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418805-02-4

>  <URL> (393)
http://www.selleckchem.com/products/pyr-41.html

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csChFnd80/06102009162D

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SphK-I2, Sphingosine Kinase Inhibitor 2

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S1P Receptor

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Free Base

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312636-16-1

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http://www.selleckchem.com/products/ski-ii.html

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Binimetinib (MEK162, ARRY-162, ARRY-438162)

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MEK

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Free Base

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606143-89-9

>  <URL> (395)
http://www.selleckchem.com/products/mek162.html

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>  <URL> (396)
http://www.selleckchem.com/products/gsk2334470.html

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424

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>  <Name> (397)
TIC10 analogue

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TRAIL-inducing Compound 10

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Akt

>  <Form> (397)
Free Base

>  <CAS> (397)
41276-02-2

>  <URL> (397)
http://www.selleckchem.com/products/tic10.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/06102009162D

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425

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C16H10BrN3O2

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356.1735

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S7198

>  <Name> (398)
BIO

>  <Synonyms> (398)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (398)
GSK-3

>  <Form> (398)
Free Base

>  <CAS> (398)
667463-62-9

>  <URL> (398)
http://www.selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/06102009162D

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426

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C17H13N5

>  <MolWeight> (399)
287.31862

>  <Cat> (399)
S7223

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RepSox

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E-616452, SJN 2511

>  <Target> (399)
TGF-beta/Smad

>  <Form> (399)
Free Base

>  <CAS> (399)
446859-33-2

>  <URL> (399)
http://www.selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (400)
427

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C21H23N7O3S

>  <MolWeight> (400)
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AZD2858

>  <Synonyms> (400)
N/A

>  <Target> (400)
GSK-3

>  <Form> (400)
Free Base

>  <CAS> (400)
486424-20-8

>  <URL> (400)
http://www.selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (401)
428

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C23H26ClNO

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>  <Cat> (401)
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>  <Name> (401)
ZM 39923 HCl

>  <Synonyms> (401)
N/A

>  <Target> (401)
JAK

>  <Form> (401)
HCl

>  <CAS> (401)
1021868-92-7

>  <URL> (401)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/06102009162D

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1159824-67-5

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218156-96-8

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M  END
>  <Mol_ID> (406)
435

>  <Formula> (406)
C27H28F3N7O3

>  <MolWeight> (406)
555.5515296

>  <Cat> (406)
S7284

>  <Name> (406)
Rociletinib (CO-1686, AVL-301)

>  <Synonyms> (406)
CNX-419, AVL-301

>  <Target> (406)
EGFR

>  <Form> (406)
Free Base

>  <CAS> (406)
1374640-70-6

>  <URL> (406)
http://www.selleckchem.com/products/co-1686.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/06102009162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
436

>  <Formula> (407)
C24H27Cl2N5O

>  <MolWeight> (407)
472.41008

>  <Cat> (407)
S7306

>  <Name> (407)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (407)
BML-275,Compound C

>  <Target> (407)
AMPK

>  <Form> (407)
Dihydrochloride

>  <CAS> (407)
1219168-18-9

>  <URL> (407)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EHop-016.cdx
csChFnd80/06102009162D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (408)
437

>  <Formula> (408)
C25H30N6O

>  <MolWeight> (408)
430.5453

>  <Cat> (408)
S7319

>  <Name> (408)
EHop-016

>  <Synonyms> (408)
N/A

>  <Target> (408)
Rac

>  <Form> (408)
Free Base

>  <CAS> (408)
1380432-32-5

>  <URL> (408)
http://www.selleckchem.com/products/ehop-016.html

$$$$
Skepinone-L.cdx
csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (409)
438

>  <Formula> (409)
C24H21F2NO4

>  <MolWeight> (409)
425.4246464

>  <Cat> (409)
S7214

>  <Name> (409)
Skepinone-L

>  <Synonyms> (409)
N/A

>  <Target> (409)
p38 MAPK

>  <Form> (409)
Free Base

>  <CAS> (409)
1221485-83-1

>  <URL> (409)
http://www.selleckchem.com/products/skepinone-l.html

$$$$
bms-345541.cdx
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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1202757-89-8

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DYRK

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JAK

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937272-79-2

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284461-73-0

>  <URL> (417)
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448

>  <Formula> (418)
C21H21ClF3N7O3S

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>  <Cat> (418)
S7357

>  <Name> (418)
PF-562271 HCl

>  <Synonyms> (418)
N/A

>  <Target> (418)
FAK

>  <Form> (418)
Hydrochloride

>  <URL> (418)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
TG003.cdx
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>  <Mol_ID> (419)
449

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C13H15NO2S

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249.3287

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S7320

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TG003

>  <Synonyms> (419)
N/A

>  <Target> (419)
CDK

>  <Form> (419)
Free Base

>  <CAS> (419)
300801-52-9

>  <URL> (419)
http://www.selleckchem.com/products/tg003.html

$$$$
WZ4003.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (420)
450

>  <Formula> (420)
C25H29ClN6O3

>  <MolWeight> (420)
496.98916

>  <Cat> (420)
S7317

>  <Name> (420)
WZ4003

>  <Synonyms> (420)
N/A

>  <Target> (420)
AMPK

>  <Form> (420)
Free Base

>  <CAS> (420)
1214265-58-3

>  <URL> (420)
http://www.selleckchem.com/products/wz4003.html

$$$$
ID-8.cdx
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>  <Mol_ID> (421)
451

>  <Formula> (421)
C16H14N2O4

>  <MolWeight> (421)
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>  <Cat> (421)
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ID-8

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N/A

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DYRK

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>  <CAS> (421)
147591-46-6

>  <URL> (421)
http://www.selleckchem.com/products/id-8.html

$$$$
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Aurora Kinase

>  <Form> (431)
Free Base

>  <CAS> (431)
885325-71-3

>  <URL> (431)
http://www.selleckchem.com/products/mk-8745.html

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N/A

>  <Target> (432)
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Free Base

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315706-13-9

>  <URL> (432)
http://www.selleckchem.com/products/4egi-1.html

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CDK

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Free Base

>  <CAS> (433)
1211441-98-3

>  <URL> (433)
http://www.selleckchem.com/products/lee011.html

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CaMK

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iodide

>  <CAS> (434)
278603-08-0

>  <URL> (434)
http://www.selleckchem.com/products/nh125.html

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Sal003

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N/A

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phosphatase

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Free Base

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1164470-53-4

>  <URL> (435)
http://www.selleckchem.com/products/sal003.html

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C25H23ClN6

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LDN193189 HCl

>  <Synonyms> (436)
N/A

>  <Target> (436)
TGF-beta/Smad

>  <Form> (436)
Hydrochloride

>  <CAS> (436)
1062368-62-0

>  <URL> (436)
http://www.selleckchem.com/products/ldn-193189-HCl.html

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SKLB1002

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N/A

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VEGFR

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Free Base

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1225451-84-2

>  <URL> (437)
http://www.selleckchem.com/products/sklb1002.html

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676596-65-9

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csChFnd80/06102009162D

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252017-04-2

>  <URL> (441)
http://www.selleckchem.com/products/azd7545.html

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CDK

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Free Base

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1285702-20-6

>  <URL> (442)
http://www.selleckchem.com/products/ml167.html

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1062368-49-3

>  <URL> (443)
http://www.selleckchem.com/products/ml347.html

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http://www.selleckchem.com/products/gs-9973.html

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1206711-16-1

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TGF-beta/Smad

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Free Base

>  <CAS> (446)
1432597-26-6

>  <URL> (446)
http://www.selleckchem.com/products/ldn-212854.html

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522629-08-9

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http://www.selleckchem.com/products/cgp57380.html

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Free Base

>  <CAS> (452)
4382-63-2

>  <URL> (452)
http://www.selleckchem.com/products/pfk15.html

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C21H18N4O4S

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HS-173

>  <Synonyms> (453)
N/A

>  <Target> (453)
PI3K

>  <Form> (453)
Free Base

>  <CAS> (453)
1276110-06-5

>  <URL> (453)
http://www.selleckchem.com/products/hs-173.html

$$$$
ÐÂ½¨ CS ChemDraw Drawing.cdx
csChFnd80/06102009162D

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484

>  <Formula> (454)
C22H26FN3O2

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383.4591432

>  <Cat> (454)
S7215

>  <Name> (454)
Losmapimod

>  <Synonyms> (454)
GW856553X, GW856553, GSK-AHAB

>  <Target> (454)
p38 MAPK

>  <Form> (454)
Free Base

>  <CAS> (454)
585543-15-3

>  <URL> (454)
http://www.selleckchem.com/products/losmapimod.html

$$$$
UNC2881.cdx
csChFnd80/06102009162D

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486

>  <Formula> (455)
C25H33N7O2

>  <MolWeight> (455)
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>  <Cat> (455)
S7325

>  <Name> (455)
UNC2881

>  <Synonyms> (455)
N/A

>  <Target> (455)
TAM Receptor

>  <Form> (455)
Free Base

>  <CAS> (455)
1493764-08-1

>  <URL> (455)
http://www.selleckchem.com/products/unc2881.html

$$$$
PF-543 .cdx
csChFnd80/06102009162D

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S1P Receptor

>  <Form> (456)
Free Base

>  <CAS> (456)
1415562-82-1

>  <URL> (456)
http://www.selleckchem.com/products/pf-543.html

$$$$
AZD1208.cdx
csChFnd80/06102009162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (457)
488

>  <Formula> (457)
C21H21N3O2S

>  <MolWeight> (457)
379.47534

>  <Cat> (457)
S7104

>  <Name> (457)
AZD1208

>  <Synonyms> (457)
N/A

>  <Target> (457)
Pim

>  <Form> (457)
Free Base

>  <CAS> (457)
1204144-28-4

>  <URL> (457)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/06102009162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (458)
489

>  <Formula> (458)
C26H25Cl2N3O3

>  <MolWeight> (458)
498.401

>  <Cat> (458)
S7041

>  <Name> (458)
CX-6258 HCl

>  <Synonyms> (458)
N/A

>  <Target> (458)
Pim

>  <Form> (458)
Hydrochloride

>  <CAS> (458)
1353859-00-3

>  <URL> (458)
http://www.selleckchem.com/products/CX-6258.html

$$$$
EHT 1864.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (459)
490

>  <Formula> (459)
C25H29Cl2F3N2O4S

>  <MolWeight> (459)
581.4749696

>  <Cat> (459)
S7482

>  <Name> (459)
EHT 1864 2HCl

>  <Synonyms> (459)
N/A

>  <Target> (459)
Rho

>  <Form> (459)
Dihydrochloride

>  <CAS> (459)
754240-09-0

>  <URL> (459)
http://www.selleckchem.com/products/eht-1864.html

$$$$
LDC000067.cdx
csChFnd80/06102009162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (460)
492

>  <Formula> (460)
C18H18N4O3S

>  <MolWeight> (460)
370.42552

>  <Cat> (460)
S7461

>  <Name> (460)
LDC000067

>  <Synonyms> (460)
LDC067

>  <Target> (460)
CDK

>  <Form> (460)
Free Base

>  <CAS> (460)
1073485-20-7

>  <URL> (460)
http://www.selleckchem.com/products/ldc000067.html

$$$$
XMD8-92.cdx
csChFnd80/06102009162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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910232-84-7

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N/A

>  <Target> (465)
ERK

>  <Form> (465)
Free Base

>  <CAS> (465)
865362-74-9

>  <URL> (465)
http://www.selleckchem.com/products/fr180204.html

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GNE7915.cdx
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C19H21F4N5O3

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S7528

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GNE-7915

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N/A

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Others

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Free Base

>  <CAS> (466)
1351761-44-8

>  <URL> (466)
http://www.selleckchem.com/products/gne-7915.html

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PD173955 .cdx
csChFnd80/06102009162D

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Bcr-Abl

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Free Base

>  <CAS> (467)
260415-63-2

>  <URL> (467)
http://www.selleckchem.com/products/pd173955.html

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>  <Formula> (468)
C52H79N5O12

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>  <Cat> (468)
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>  <Name> (468)
Zotarolimus (ABT-578)

>  <Synonyms> (468)
N/A

>  <Target> (468)
mTOR

>  <Form> (468)
Free Base

>  <CAS> (468)
221877-54-9

>  <URL> (468)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

$$$$
WH-4-023.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (469)
502

>  <Formula> (469)
C32H36N6O4

>  <MolWeight> (469)
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>  <Cat> (469)
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>  <Name> (469)
WH-4-023

>  <Synonyms> (469)
KIN001-112

>  <Target> (469)
Src

>  <Form> (469)
Free Base

>  <CAS> (469)
837422-57-8

>  <URL> (469)
http://www.selleckchem.com/products/wh-4-023.html

$$$$
SF1670 (PTEN inhibitor).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (470)
503

>  <Formula> (470)
C19H17NO3

>  <MolWeight> (470)
307.34318

>  <Cat> (470)
S7310

>  <Name> (470)
SF1670 (PTEN inhibitor)

>  <Synonyms> (470)
N/A

>  <Target> (470)
PTEN

>  <Form> (470)
Free Base

>  <CAS> (470)
345630-40-2

>  <URL> (470)
http://www.selleckchem.com/products/sf1670.html

$$$$
IM-12.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (471)
504

>  <Formula> (471)
C22H20FN3O2

>  <MolWeight> (471)
377.4115032

>  <Cat> (471)
S7566

>  <Name> (471)
IM-12

>  <Synonyms> (471)
N/A

>  <Target> (471)
GSK-3

>  <Form> (471)
Free Base

>  <CAS> (471)
1129669-05-1

>  <URL> (471)
http://www.selleckchem.com/products/im-12.html

$$$$
NMS-P937.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (472)
505

>  <Formula> (472)
C24H27F3N8O3

>  <MolWeight> (472)
532.5181896

>  <Cat> (472)
S7255

>  <Name> (472)
NMS-P937 (NMS1286937)

>  <Synonyms> (472)
N/A

>  <Target> (472)
PLK

>  <Form> (472)
Free Base

>  <CAS> (472)
1034616-18-6

>  <URL> (472)
http://www.selleckchem.com/products/nms-p937-nms1286937.html

$$$$
GNE-9605.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (473)
506

>  <Formula> (473)
C17H20ClF4N7O

>  <MolWeight> (473)
449.8336128

>  <Cat> (473)
S7368

>  <Name> (473)
GNE-9605

>  <Synonyms> (473)
N/A

>  <Target> (473)
LRRK2

>  <Form> (473)
Free Base

>  <CAS> (473)
1536200-31-3

>  <URL> (473)
http://www.selleckchem.com/products/gne-9605.html

$$$$
filgotinib.cdx
csChFnd80/06102009162D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (474)
507

>  <Formula> (474)
C21H23N5O3S

>  <MolWeight> (474)
425.50402

>  <Cat> (474)
S7605

>  <Name> (474)
Filgotinib£¨GLPG0643)

>  <Synonyms> (474)
N/A

>  <Target> (474)
JAK

>  <Form> (474)
Free Base

>  <CAS> (474)
1206161-97-8

>  <URL> (474)
http://www.selleckchem.com/products/filgotinib.html

$$$$
Anacardic Acid.cdx
csChFnd80/06102009162D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (475)
508

>  <Formula> (475)
C22H36O3

>  <MolWeight> (475)
348.51944

>  <Cat> (475)
S7582

>  <Name> (475)
Anacardic Acid

>  <Synonyms> (475)
6-pentadecylsalicylic Acid

>  <Target> (475)
Histone Acetyltransferase

>  <Form> (475)
Free Base

>  <CAS> (475)
16611-84-0

>  <URL> (475)
http://www.selleckchem.com/products/anacardic-acid.html

$$$$
GNF5837.cdx
csChFnd80/06102009162D

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1254473-64-7

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http://www.selleckchem.com/products/ly2874455.html

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PLK

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Free Base

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1062243-51-9

>  <URL> (484)
http://www.selleckchem.com/products/ro3280.html

$$$$
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csChFnd80/06102009162D

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JAK

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Hydrochloride

>  <CAS> (485)
1369761-01-2

>  <URL> (485)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
CID755673.cdx
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CID755673

>  <Synonyms> (486)
N/A

>  <Target> (486)
Others

>  <Form> (486)
Free Base

>  <CAS> (486)
521937-07-5

>  <URL> (486)
http://www.selleckchem.com/products/cid755673.html

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/06102009162D

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523

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Picropodophyllin (PPP)

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AXL1717

>  <Target> (487)
IGF-1R

>  <Form> (487)
Free Base

>  <CAS> (487)
477-47-4

>  <URL> (487)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

$$$$
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csChFnd80/06102009162D

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524

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Adenosine Receptor

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656820-32-5

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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> (489)
http://www.selleckchem.com/products/su9516.html

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Piperlongumine.cdx
csChFnd80/06102009162D

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Piperlongumine

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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> (490)
http://www.selleckchem.com/products/piperlongumine.html

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AT13148.cdx
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N/A

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Akt

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Free Base

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1056901-62-2

>  <URL> (491)
http://www.selleckchem.com/products/at13148.html

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FAK

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717906-29-1

>  <URL> (492)
http://www.selleckchem.com/products/pf-431396.html

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>  <Mol_ID> (493)
529

>  <Formula> (493)
C25H26F3N5O3

>  <MolWeight> (493)
501.5008496

>  <Cat> (493)
S7653

>  <Name> (493)
PND-1186 (VS-4718)

>  <Synonyms> (493)
SR-2156

>  <Target> (493)
FAK

>  <Form> (493)
Free Base

>  <CAS> (493)
1061353-68-1

>  <URL> (493)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

$$$$
Defactinib.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (494)
530

>  <Formula> (494)
C20H21F3N8O3S

>  <MolWeight> (494)
510.4927496

>  <Cat> (494)
S7654

>  <Name> (494)
Defactinib (VS-6063, PF-04554878)

>  <Synonyms> (494)
VS-6063, PF-04554878

>  <Target> (494)
FAK

>  <Form> (494)
Free Base

>  <CAS> (494)
1073154-85-4

>  <URL> (494)
http://www.selleckchem.com/products/defactinib.html

$$$$
GSK2578215A.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (495)
531

>  <Formula> (495)
C24H18FN3O2

>  <MolWeight> (495)
399.4170232

>  <Cat> (495)
S7664

>  <Name> (495)
GSK2578215A

>  <Synonyms> (495)
N/A

>  <Target> (495)
LRRK2

>  <Form> (495)
Free Base

>  <CAS> (495)
1285515-21-0

>  <URL> (495)
http://www.selleckchem.com/products/gsk2578215a.html

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (496)
532

>  <Formula> (496)
C23H21Cl2FN4O3

>  <MolWeight> (496)
491.3422432

>  <Cat> (496)
S7358

>  <Name> (496)
Poziotinib (HM781-36B)

>  <Synonyms> (496)
NOV120101

>  <Target> (496)
EGFR

>  <Form> (496)
Free Base

>  <CAS> (496)
1092364-38-9

>  <URL> (496)
http://www.selleckchem.com/products/poziotinib-hm781-36b.html

$$$$
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>  <URL> (498)
http://www.selleckchem.com/products/pi-3065.html

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SBE 13 HCl

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PLK

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Hydrochloride

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1052532-15-6

>  <URL> (499)
http://www.selleckchem.com/products/sbe-13-hcl.html

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627536-09-8

>  <URL> (501)
http://www.selleckchem.com/products/sd-208.html

$$$$
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1361030-48-9

>  <URL> (502)
http://www.selleckchem.com/products/ldc1267.html

$$$$
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LY2584702 tosylate

>  <Synonyms> (503)
N/A

>  <Target> (503)
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>  <Form> (503)
Free Base

>  <CAS> (503)
1082949-68-5

>  <URL> (503)
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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Dovitinib Lactate.cdx
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FLT3

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Lactate

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915769-50-5

>  <URL> (505)
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

$$$$
LY2090314.cdx
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603288-22-8

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http://www.selleckchem.com/products/ly2090314.html

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csChFnd80/06102009162D

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CH5183284 (Debio-1347)

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FF284

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FGFR

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Free Base

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1265229-25-1

>  <URL> (508)
http://www.selleckchem.com/products/ch5183284-debio-1347.html

$$$$
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csChFnd80/06102009162D

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>  <Mol_ID> (509)
546

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C22H21N3O3S

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S7745

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ANA-12

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N/A

>  <Target> (509)
Trk receptor

>  <Form> (509)
Free Base

>  <CAS> (509)
219766-25-3

>  <URL> (509)
http://www.selleckchem.com/products/ana-12.html

$$$$
LM-3573.cdx
csChFnd80/06102009162D

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547

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C22H28ClN7O3S

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506.02082

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S7782

>  <Name> (510)
Dasatinib Monohydrate

>  <Synonyms> (510)
BMS-354825 Monohydrate

>  <Target> (510)
Src

>  <Form> (510)
Monohydrate

>  <CAS> (510)
863127-77-9

>  <URL> (510)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
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csChFnd80/06102009162D

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>  <Mol_ID> (511)
548

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C22H27FN4O2

>  <MolWeight> (511)
398.4737832

>  <Cat> (511)
S7781

>  <Name> (511)
Sunitinib

>  <Synonyms> (511)
SU11248

>  <Target> (511)
PDGFR

>  <Form> (511)
Free Base

>  <CAS> (511)
557795-19-4

>  <URL> (511)
http://www.selleckchem.com/products/sunitinib.html

$$$$
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   15.7602    3.5000    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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
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 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> (512)
549

>  <Formula> (512)
C22H23N3O4

>  <MolWeight> (512)
393.43572

>  <Cat> (512)
S7786

>  <Name> (512)
Erlotinib

>  <Synonyms> (512)
CP358774, NSC 718781

>  <Target> (512)
EGFR

>  <Form> (512)
Free Base

>  <CAS> (512)
183321-74-6

>  <URL> (512)
http://www.selleckchem.com/products/erlotinib.html

$$$$
CL-387785.cdx
csChFnd80/06102009162D

 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
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  3  4  1  0  0  0  0
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 18  2  2  0  0  0  0
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 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> (513)
550

>  <Formula> (513)
C18H13BrN4O

>  <MolWeight> (513)
381.22602

>  <Cat> (513)
S7557

>  <Name> (513)
CL-387785 (EKI-785)

>  <Synonyms> (513)
N/A

>  <Target> (513)
EGFR

>  <Form> (513)
Free Base

>  <CAS> (513)
194423-06-8

>  <URL> (513)
http://www.selleckchem.com/products/cl-387785-eki-785.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/06102009162D

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    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
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 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (514)
551

>  <Formula> (514)
C24H30ClN7O2

>  <MolWeight> (514)
483.9937

>  <Cat> (514)
S1116

>  <Name> (514)
PD 0332991 (Palbociclib) HCl

>  <Synonyms> (514)
N/A

>  <Target> (514)
CDK

>  <Form> (514)
Hydrochloride

>  <CAS> (514)
827022-32-2, 571190-30-2 (free base)

>  <URL> (514)
http://www.selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (515)
552

>  <Formula> (515)
C26H35N7O6S

>  <MolWeight> (515)
573.6644

>  <Cat> (515)
S1579

>  <Name> (515)
PD 0332991 (Palbociclib) Isethionate

>  <Synonyms> (515)
N/A

>  <Target> (515)
CDK

>  <Form> (515)
Isethionate

>  <CAS> (515)
827022-33-3, 571190-30-2(free base)

>  <URL> (515)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
STF-083010.cdx
csChFnd80/06102009162D

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M  END
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>  <Target> (516)
Others

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Free Base

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307543-71-1

>  <URL> (516)
http://www.selleckchem.com/products/stf-083010.html

$$$$
FRAX597.cdx
csChFnd80/06102009162D

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554

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C29H28ClN7OS

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558.09692

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FRAX597

>  <Synonyms> (517)
N/A

>  <Target> (517)
PAK

>  <Form> (517)
Free Base

>  <CAS> (517)
1286739-19-2

>  <URL> (517)
http://www.selleckchem.com/products/frax597.html

$$$$
Ro-3306.cdx
csChFnd80/06102009162D

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351.44532

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S7747

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Ro-3306

>  <Synonyms> (518)
N/A

>  <Target> (518)
CDK

>  <Form> (518)
Free Base

>  <CAS> (518)
872573-93-8

>  <URL> (518)
http://www.selleckchem.com/products/ro-3306.html

$$$$
Afatinib dimaleate.cdx
csChFnd80/06102009162D

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556

>  <Formula> (519)
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>  <Synonyms> (519)
N/A

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EGFR

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Dimaleate

>  <CAS> (519)
850140-73-7

>  <URL> (519)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

$$$$
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Trihydrochloride

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946518-60-1

>  <URL> (520)
http://www.selleckchem.com/products/ly2409881.html

$$$$
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Akt

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Free Base

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1047644-62-1

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http://www.selleckchem.com/products/afuresertib-gsk2110183.html

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PI3K

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Free Base

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1394076-92-6

>  <URL> (522)
http://www.selleckchem.com/products/gne-317.html

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1627503-67-6

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>  <Mol_ID> (524)
561

>  <Formula> (524)
C19H25ClN6O

>  <MolWeight> (524)
388.8944

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S7793

>  <Name> (524)
Purvalanol A

>  <Synonyms> (524)
N/A

>  <Target> (524)
CDK

>  <Form> (524)
Free Base

>  <CAS> (524)
212844-53-6

>  <URL> (524)
http://www.selleckchem.com/products/purvalanol-a.html

$$$$
AZD2932.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (525)
562

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C24H25N5O4

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AZD2932

>  <Synonyms> (525)
N/A

>  <Target> (525)
PDGFR

>  <Form> (525)
Free Base

>  <CAS> (525)
883986-34-3

>  <URL> (525)
http://www.selleckchem.com/products/azd2932.html

$$$$
Anisomycin.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (526)
563

>  <Formula> (526)
C14H19NO4

>  <MolWeight> (526)
265.30496

>  <Cat> (526)
S7409

>  <Name> (526)
Anisomycin

>  <Synonyms> (526)
Flagecidin 

>  <Target> (526)
JNK

>  <Form> (526)
Free Base

>  <CAS> (526)
22862-76-6

>  <URL> (526)
http://www.selleckchem.com/products/anisomycin.html

$$$$
MHY1485.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (527)
564

>  <Formula> (527)
C17H21N7O4

>  <MolWeight> (527)
387.39314

>  <Cat> (527)
S7811

>  <Name> (527)
MHY1485

>  <Synonyms> (527)
N/A

>  <Target> (527)
mTOR

>  <Form> (527)
Free Base

>  <CAS> (527)
326914-06-1

>  <URL> (527)
http://www.selleckchem.com/products/mhy1485.html

$$$$
ERK5-IN-1.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (532)
569

>  <Formula> (532)
C16H18Cl3N5O2

>  <MolWeight> (532)
418.70542

>  <Cat> (532)
S7808

>  <Name> (532)
AT7519 HCl

>  <Synonyms> (532)
N/A

>  <Target> (532)
CDK

>  <Form> (532)
Hydrochloride

>  <CAS> (532)
902135-91-5

>  <URL> (532)
http://www.selleckchem.com/products/at7519-hcl.html

$$$$
ARRY-614.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (533)
570

>  <Formula> (533)
C31H33FN6O3

>  <MolWeight> (533)
556.6305232

>  <Cat> (533)
S7799

>  <Name> (533)
Pexmetinib (ARRY-614)

>  <Synonyms> (533)
N/A

>  <Target> (533)
p38 MAPK

>  <Form> (533)
Free Base

>  <CAS> (533)
945614-12-0

>  <URL> (533)
http://www.selleckchem.com/products/pexmetinib-arry-614.html

$$$$
LY3009120.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (534)
571

>  <Formula> (534)
C23H29FN6O

>  <MolWeight> (534)
424.5143632

>  <Cat> (534)
S7842

>  <Name> (534)
LY3009120

>  <Synonyms> (534)
N/A

>  <Target> (534)
Raf

>  <Form> (534)
Free Base

>  <CAS> (534)
1454682-72-4

>  <URL> (534)
http://www.selleckchem.com/products/ly3009120.html

$$$$
HTH-01-015.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (535)
572

>  <Formula> (535)
C26H28N8O

>  <MolWeight> (535)
468.55352

>  <Cat> (535)
S7318

>  <Name> (535)
HTH-01-015

>  <Synonyms> (535)
N/A

>  <Target> (535)
AMPK

>  <Form> (535)
Free Base

>  <CAS> (535)
1613724-42-7

>  <URL> (535)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
PLX3397.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (536)
573

>  <Formula> (536)
C20H15ClF3N5

>  <MolWeight> (536)
417.8148096

>  <Cat> (536)
S7818

>  <Name> (536)
Pexidartinib (PLX3397)

>  <Synonyms> (536)
N/A

>  <Target> (536)
CSF-1R

>  <Form> (536)
Free Base

>  <CAS> (536)
1029044-16-3

>  <URL> (536)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/06102009162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (537)
574

>  <Formula> (537)
C21H21F3IN3O2

>  <MolWeight> (537)
531.3100196

>  <Cat> (537)
S8041

>  <Name> (537)
Cobimetinib (GDC-0973, RG7420)

>  <Synonyms> (537)
XL518

>  <Target> (537)
MEK

>  <Form> (537)
Free Base

>  <CAS> (537)
934660-93-2

>  <URL> (537)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/06102009162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (538)
575

>  <Formula> (538)
C21H22Cl2N4O2

>  <MolWeight> (538)
433.33098

>  <Cat> (538)
S7854

>  <Name> (538)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (538)
N/A

>  <Target> (538)
ERK

>  <Form> (538)
Free Base

>  <CAS> (538)
869886-67-9

>  <URL> (538)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
Dorsomorphin.cdx
csChFnd80/06102009162D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (539)
576

>  <Formula> (539)
C24H25N5O

>  <MolWeight> (539)
399.4882

>  <Cat> (539)
S7840

>  <Name> (539)
Dorsomorphin (Compound C)

>  <Synonyms> (539)
Compound C, BML-275

>  <Target> (539)
AMPK

>  <Form> (539)
Free Base

>  <CAS> (539)
866405-64-3

>  <URL> (539)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
BI-847325.cdx
csChFnd80/06102009162D

 35 38  0  0  0  0  0  0  0  0999 V2000
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N/A

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>  <Form> (540)
Free Base

>  <CAS> (540)
1207293-36-4

>  <URL> (540)
http://www.selleckchem.com/products/bi-847325.html

$$$$
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>  <Synonyms> (541)
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>  <Target> (541)
EGFR

>  <Form> (541)
Free Base

>  <CAS> (541)
1421373-98-9

>  <URL> (541)
http://www.selleckchem.com/products/az5104.html

$$$$
LRRK2-IN-1.cdx
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>  <Synonyms> (542)
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1234480-84-2

>  <URL> (542)
http://www.selleckchem.com/products/lrrk2-in-1.html

$$$$
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1221713-92-3

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http://www.selleckchem.com/products/nps-1034.html

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CaMK

>  <Form> (544)
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1188890-41-6

>  <URL> (544)
http://www.selleckchem.com/products/kn-93-phosphate.html

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1168091-68-6

>  <URL> (545)
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>  <URL> (546)
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FGFR

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Free Base

>  <CAS> (547)
1538604-68-0

>  <URL> (547)
http://www.selleckchem.com/products/blu9931.html

$$$$
TP-0903.cdx
csChFnd80/06102009162D

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C24H30ClN7O2S

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TP-0903

>  <Synonyms> (548)
N/A

>  <Target> (548)
TAM Receptor

>  <Form> (548)
Free Base

>  <CAS> (548)
1341200-45-0

>  <URL> (548)
http://www.selleckchem.com/products/tp-0903.html

$$$$
FLLL32.cdx
csChFnd80/06102009162D

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FLLL32

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N/A

>  <Target> (549)
JAK

>  <Form> (549)
Free Base

>  <CAS> (549)
1226895-15-3

>  <URL> (549)
http://www.selleckchem.com/products/flll32.html

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (550)
589

>  <Formula> (550)
C26H44NNaO6S

>  <MolWeight> (550)
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>  <Cat> (550)
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>  <Name> (550)
Sodium Tauroursodeoxycholate (TUDC)

>  <Synonyms> (550)
N/A

>  <Target> (550)
Antifection

>  <Form> (550)
sodium salt

>  <CAS> (550)
35807-85-3

>  <URL> (550)
http://www.selleckchem.com/products/sodium-tauroursodeoxycholate-tudc.html

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/06102009162D

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1449685-96-4

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TAM Receptor

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hydrochloride salt

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1429881-91-3

>  <URL> (559)
http://www.selleckchem.com/products/unc-2025.html

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Akt

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1616632-77-9

>  <URL> (560)
http://www.selleck.cn/products/tic-10.html

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>  <URL> (561)
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Free Base

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667463-85-6

>  <URL> (562)
http://www.selleck.cn/products/bio-acetoxime.html

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946128-88-7

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>  <Synonyms> (571)
N/A

>  <Target> (571)
FGFR

>  <Form> (571)
Free Base

>  <CAS> (571)
1633044-56-0

>  <URL> (571)
http://www.selleckchem.com/products/fiin-2.html

$$$$
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>  <Synonyms> (572)
N/A

>  <Target> (572)
JAK

>  <Form> (572)
Free Base

>  <CAS> (572)
944842-54-0

>  <URL> (572)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
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>  <Target> (573)
ERK

>  <Form> (573)
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>  <CAS> (573)
896720-20-0

>  <URL> (573)
http://www.selleckchem.com/products/vx-11e.html

$$$$
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EGFR

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1626387-80-1

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http://www.selleckchem.com/products/azd3759.html

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csChFnd80/06102009162D

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Free Base

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934493-76-2

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http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

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csChFnd80/06102009162D

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C17H11ClN4O

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N/A

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I¦ÊB/IKK

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Free base

>  <CAS> (576)
431898-65-6

>  <URL> (576)
http://www.selleckchem.com/products/ps-1145.html

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LJI308.cdx
csChFnd80/06102009162D

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S6 Kinase

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1627709-94-7

>  <URL> (577)
http://www.selleckchem.com/products/lji308.html

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csChFnd80/06102009162D

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Bcr-Abl

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926037-48-1

>  <URL> (578)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (579)
618

>  <Formula> (579)
C15H23ClFN3O4S

>  <MolWeight> (579)
395.8772232

>  <Cat> (579)
S7995

>  <Name> (579)
Ripasudil (K-115)

>  <Synonyms> (579)
N/A

>  <Target> (579)
ROCK

>  <Form> (579)
Hydrochloride dihydrate

>  <CAS> (579)
887375-67-9

>  <URL> (579)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (580)
619

>  <Formula> (580)
C24H26F3N7O2

>  <MolWeight> (580)
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>  <Cat> (580)
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>  <Name> (580)
K03861

>  <Synonyms> (580)
N/A

>  <Target> (580)
CDK

>  <Form> (580)
Free Base

>  <CAS> (580)
853299-07-7

>  <URL> (580)
http://www.selleckchem.com/products/k03861.html

$$$$
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620

>  <Formula> (581)
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547.5310696

>  <Cat> (581)
S8140

>  <Name> (581)
GNF-7

>  <Synonyms> (581)
N/A

>  <Target> (581)
Bcr-Abl

>  <Form> (581)
Free Base

>  <CAS> (581)
839706-07-9

>  <URL> (581)
http://www.selleckchem.com/products/gnf-7.html

$$$$
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csChFnd80/06102009162D

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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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M  END
>  <Mol_ID> (587)
628

>  <Formula> (587)
C21H24ClN7O

>  <MolWeight> (587)
425.91456

>  <Cat> (587)
S7980

>  <Name> (587)
VPS34-IN1

>  <Synonyms> (587)
Vps34-IN-1

>  <Target> (587)
PI3K

>  <Form> (587)
Free Base

>  <CAS> (587)
1383716-33-3

>  <URL> (587)
http://www.selleckchem.com/products/vps34-in1.html

$$$$
Kenpaullone.cdx
csChFnd80/06102009162D

 20 23  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 14  1  0  0  0  0
 11 19  2  0  0  0  0
  1 20  1  0  0  0  0
M  END
>  <Mol_ID> (588)
629

>  <Formula> (588)
C16H11BrN2O

>  <MolWeight> (588)
327.17534

>  <Cat> (588)
S7917

>  <Name> (588)
Kenpaullone

>  <Synonyms> (588)
N/A

>  <Target> (588)
CDK

>  <Form> (588)
Free Base

>  <CAS> (588)
142273-20-9

>  <URL> (588)
http://www.selleckchem.com/products/kenpaullone.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/06102009162D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
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 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (589)
630

>  <Formula> (589)
C19H27N5O6S

>  <MolWeight> (589)
453.51258

>  <Cat> (589)
S8195

>  <Name> (589)
Oclacitinib maleate

>  <Synonyms> (589)
PF-03394197

>  <Target> (589)
JAK

>  <Form> (589)
Free Base

>  <CAS> (589)
1640292-55-2

>  <URL> (589)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
MLN2480.cdx
csChFnd80/06102009162D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (590)
631

>  <Formula> (590)
C17H12Cl2F3N7O2S

>  <MolWeight> (590)
506.2890896

>  <Cat> (590)
S7121

>  <Name> (590)
MLN2480

>  <Synonyms> (590)
BIIB-024

>  <Target> (590)
Raf

>  <Form> (590)
Free Base

>  <CAS> (590)
1096708-71-2

>  <URL> (590)
http://www.selleckchem.com/products/mln2480.html

$$$$
Acalabrutinib.cdx
csChFnd80/06102009162D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (591)
632

>  <Formula> (591)
C26H23N7O2

>  <MolWeight> (591)
465.50652

>  <Cat> (591)
S8116

>  <Name> (591)
Acalabrutinib (ACP-196)

>  <Synonyms> (591)
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>  <Target> (591)
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>  <Form> (591)
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>  <CAS> (591)
1420477-60-6

>  <URL> (591)
http://www.selleckchem.com/products/acalabrutinib.html

$$$$
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>  <Target> (592)
Autophagy

>  <Form> (592)
Free Base

>  <CAS> (592)
1383716-40-2

>  <URL> (592)
http://www.selleckchem.com/products/pik-iii.html

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Wee1

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185039-89-8

>  <URL> (593)
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p38 MAPK

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C27H25F3N8O2

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Pluripotin (SC1)

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ERK

>  <Form> (596)
Free Base

>  <CAS> (596)
839707-37-8

>  <URL> (596)
http://www.selleckchem.com/products/pluripotin-sc1.html

$$$$
PLX7904.cdx
csChFnd80/06102009162D

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PLX7904

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PB04

>  <Target> (597)
Raf

>  <Form> (597)
Free Base

>  <CAS> (597)
1393465-84-3

>  <URL> (597)
http://www.selleckchem.com/products/plx7904.html

$$$$
MRT68921.cdx
csChFnd80/06102009162D

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xHCl
M  END
>  <Mol_ID> (598)
640

>  <Formula> (598)
C26H36N6O2R

>  <MolWeight> (598)
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>  <Cat> (598)
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>  <Name> (598)
MRT67307 HCl

>  <Synonyms> (598)
N/A

>  <Target> (598)
I¦ÊB/IKK

>  <Form> (598)
hydrochloride

>  <CAS> (598)
1190378-57-4 (free-base)

>  <URL> (598)
http://www.selleckchem.com/products/mrt67307.html

$$$$
MRT67307.cdx
csChFnd80/06102009162D

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1190379-70-4 (free base)

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883065-90-5

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186611-52-9

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1622849-58-4

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c-Met

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Free Base

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1173699-31-4

>  <URL> (604)
http://www.selleckchem.com/products/amg-337.html

$$$$
NQDI-1.cdx
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>  <Mol_ID> (605)
647

>  <Formula> (605)
C19H13NO4

>  <MolWeight> (605)
319.31082

>  <Cat> (605)
S8289

>  <Name> (605)
NQDI-1

>  <Synonyms> (605)
N/A

>  <Target> (605)
Caspase

>  <Form> (605)
Free Base

>  <CAS> (605)
175026-96-7

>  <URL> (605)
http://www.selleckchem.com/products/nqdi-1.html

$$$$
Kobe0065.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (606)
648

>  <Formula> (606)
C15H11ClF3N5O4S

>  <MolWeight> (606)
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>  <Cat> (606)
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>  <Name> (606)
Kobe0065

>  <Synonyms> (606)
N/A

>  <Target> (606)
Rho

>  <Form> (606)
Free Base

>  <CAS> (606)
436133-68-5

>  <URL> (606)
http://www.selleckchem.com/products/kobe0065.html

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (607)
649

>  <Formula> (607)
C26H26N6O2S

>  <MolWeight> (607)
486.58864

>  <Cat> (607)
S8294

>  <Name> (607)
Olmutinib (HM61713, BI 1482694)

>  <Synonyms> (607)
BI 1482694, HM61713, HM71224

>  <Target> (607)
EGFR

>  <Form> (607)
Free Base

>  <CAS> (607)
1353550-13-6

>  <URL> (607)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

$$$$
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    1.2145    2.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (608)
650

>  <Formula> (608)
C11H13IN4O4

>  <MolWeight> (608)
392.14979

>  <Cat> (608)
S8314

>  <Name> (608)
5-Iodotubercidin

>  <Synonyms> (608)
NSC 113939, 5-ITu

>  <Target> (608)
Adenosine Receptor

>  <Form> (608)
Free Base

>  <CAS> (608)
24386-93-4

>  <URL> (608)
http://www.selleckchem.com/products/5-iodotubercidin.html

$$$$
S4690 Vitamin E.cdx
csChFnd80/06102009162D

 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> (609)
651

>  <Formula> (609)
C29H50O2

>  <MolWeight> (609)
430.7061

>  <Cat> (609)
S4686

>  <Name> (609)
Vitamin E

>  <Synonyms> (609)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (609)
COX,VEGFR

>  <Form> (609)
Free Base

>  <CAS> (609)
21590

>  <URL> (609)
http://www.selleckchem.com/products/vitamin-e.html

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  1 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (610)
652

>  <Formula> (610)
C15H10O4

>  <MolWeight> (610)
254.2375

>  <Cat> (610)
S8319

>  <Name> (610)
7,8-Dihydroxyflavone

>  <Synonyms> (610)
7,8-DHF

>  <Target> (610)
Trk receptor

>  <Form> (610)
Free Base

>  <CAS> (610)
38183-03-8

>  <URL> (610)
http://www.selleckchem.com/products/7-8-dihydroxyflavone.html

$$$$
LY3023414.cdx
csChFnd80/06102009162D

 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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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   10.8558    6.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  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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 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> (611)
653

>  <Formula> (611)
C23H26N4O3

>  <MolWeight> (611)
406.47754

>  <Cat> (611)
S8322

>  <Name> (611)
LY3023414

>  <Synonyms> (611)
GTPL8918

>  <Target> (611)
Akt

>  <Form> (611)
Free Base

>  <CAS> (611)
1386874-06-1

>  <URL> (611)
http://www.selleckchem.com/products/ly3023414.html

$$$$
Selonsertib (GS-4997).cdx
csChFnd80/06102009162D

 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
    6.0995    2.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    1.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (612)
654

>  <Formula> (612)
C24H24FN7O

>  <MolWeight> (612)
445.4920632

>  <Cat> (612)
S8292

>  <Name> (612)
Selonsertib (GS-4997)

>  <Synonyms> (612)
N/A

>  <Target> (612)
Caspase

>  <Form> (612)
Free Base

>  <CAS> (612)
1448428-04-3

>  <URL> (612)
http://www.selleckchem.com/products/selonsertib-gs-4997.html

$$$$
LY333531.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (613)
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>  <Formula> (613)
C28H29ClN4O3

>  <MolWeight> (613)
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>  <Cat> (613)
S7663

>  <Name> (613)
LY333531 HCl

>  <Synonyms> (613)
Ruboxistaurin

>  <Target> (613)
PKC

>  <Form> (613)
hydrochloride

>  <CAS> (613)
169939-93-9

>  <URL> (613)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (614)
656

>  <Formula> (614)
C25H23Cl2FN6O

>  <MolWeight> (614)
513.3941232

>  <Cat> (614)
S7807

>  <Name> (614)
FRAX486

>  <Synonyms> (614)
N/A

>  <Target> (614)
PAK

>  <Form> (614)
Free Base

>  <CAS> (614)
1232030-35-1

>  <URL> (614)
http://www.selleckchem.com/products/frax486.html

$$$$
VO-Ohpic.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (615)
657

>  <Formula> (615)
C12H15N2O11V

>  <MolWeight> (615)
414.1958

>  <Cat> (615)
S8174

>  <Name> (615)
VO-Ohpic trihydrate

>  <Synonyms> (615)
N/A

>  <Target> (615)
Others

>  <Form> (615)
trihydrate

>  <CAS> (615)
476310-60-8

>  <URL> (615)
http://www.selleckchem.com/products/vo-ohpic.html

$$$$
EAI045.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (616)
658

>  <Formula> (616)
C19H14FN3O3S

>  <MolWeight> (616)
383.3961632

>  <Cat> (616)
S8242

>  <Name> (616)
EAI045

>  <Synonyms> (616)
N/A

>  <Target> (616)
EGFR

>  <Form> (616)
Free Base

>  <CAS> (616)
1942114-09-1

>  <URL> (616)
http://www.selleckchem.com/products/eai045.html

$$$$
Shikonin.cdx
csChFnd80/06102009162D

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659

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C16H16O5

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288.29524

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Shikonin

>  <Synonyms> (617)
N/A

>  <Target> (617)
Others

>  <Form> (617)
Free Base

>  <CAS> (617)
517-89-5

>  <URL> (617)
http://www.selleckchem.com/products/shikonin.html

$$$$
AZD8835.cdx
csChFnd80/06102009162D

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660

>  <Formula> (618)
C22H31N9O3

>  <MolWeight> (618)
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>  <Cat> (618)
S7966

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AZD8835

>  <Synonyms> (618)
N/A

>  <Target> (618)
PI3K

>  <Form> (618)
Free Base

>  <CAS> (618)
1620576-64-8

>  <URL> (618)
http://www.selleckchem.com/products/azd8835.html

$$$$
Necrosulfonamide.cdx
csChFnd80/06102009162D

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661

>  <Formula> (619)
C18H15N5O6S2

>  <MolWeight> (619)
461.4716

>  <Cat> (619)
S8251

>  <Name> (619)
Necrosulfonamide

>  <Synonyms> (619)
N/A

>  <Target> (619)
Others

>  <Form> (619)
Free Base

>  <CAS> (619)
1360614-48-7

>  <URL> (619)
http://www.selleckchem.com/products/necrosulfonamide.html

$$$$
BAY-61-3606.cdx
csChFnd80/06102009162D

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662

>  <Formula> (620)
C20H20Cl2N6O3

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>  <Cat> (620)
S7006

>  <Name> (620)
BAY-61-3606

>  <Synonyms> (620)
N/A

>  <Target> (620)
Syk

>  <Form> (620)
dihydrochloride

>  <CAS> (620)
648903-57-5

>  <URL> (620)
http://www.selleckchem.com/products/bay-61-3606.html

$$$$
WNK463.cdx
csChFnd80/06102009162D

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Others

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Free Base

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2012607-27-9

>  <URL> (621)
http://www.selleckchem.com/products/wnk463.html

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csChFnd80/06102009162D

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664

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C21H24F2N6O6S

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LOXO-101(sulfate)

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N/A

>  <Target> (622)
Trk receptor

>  <Form> (622)
sulfate

>  <CAS> (622)
1223405-08-0

>  <URL> (622)
http://www.selleckchem.com/products/loxo-101.html

$$$$
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665

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C23H22ClN3O3

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APS-2-79 HCl

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N/A

>  <Target> (623)
MEK

>  <Form> (623)
hydrochloride

>  <CAS> (623)
2002381-31-7

>  <URL> (623)
http://www.selleckchem.com/products/aps-2-79.html

$$$$
NSC228155.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (624)
666

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NSC228155

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N/A

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EGFR

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Free Base

>  <CAS> (624)
113104-25-9

>  <URL> (624)
http://www.selleckchem.com/products/nsc228155.html

$$$$
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M  END
>  <Mol_ID> (625)
667

>  <Formula> (625)
C23H28N8O

>  <MolWeight> (625)
432.52142

>  <Cat> (625)
S7144

>  <Name> (625)
BMS-911543

>  <Synonyms> (625)
N/A

>  <Target> (625)
JAK

>  <Form> (625)
Free Base

>  <CAS> (625)
1271022-90-2

>  <URL> (625)
http://www.selleckchem.com/products/bms-911543.html

$$$$
Deguelin.cdx
csChFnd80/06102009162D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (626)
668

>  <Formula> (626)
C23H22O6

>  <MolWeight> (626)
394.41718

>  <Cat> (626)
S8132

>  <Name> (626)
Deguelin

>  <Synonyms> (626)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (626)
Akt

>  <Form> (626)
Free Base

>  <CAS> (626)
522-17-8

>  <URL> (626)
http://www.selleckchem.com/products/deguelin.html

$$$$
BAW2881 (NVP-BAW2881).cdx
csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (627)
669

>  <Formula> (627)
C22H15F3N4O2

>  <MolWeight> (627)
424.3753096

>  <Cat> (627)
S8189

>  <Name> (627)
BAW2881 (NVP-BAW2881)

>  <Synonyms> (627)
N/A

>  <Target> (627)
VEGFR

>  <Form> (627)
Free Base

>  <CAS> (627)
861875-60-7

>  <URL> (627)
http://www.selleckchem.com/products/baw2881-nvp-baw2881.html

$$$$
Pamapimod.cdx
csChFnd80/06102009162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (628)
670

>  <Formula> (628)
C19H20F2N4O4

>  <MolWeight> (628)
406.3833064

>  <Cat> (628)
S8125

>  <Name> (628)
Pamapimod (R-1503, Ro4402257)

>  <Synonyms> (628)
N/A

>  <Target> (628)
p38 MAPK

>  <Form> (628)
Free Base

>  <CAS> (628)
449811-01-2

>  <URL> (628)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

$$$$
OICR-9429.cdx
csChFnd80/06102009162D

 40 44  0  0  0  0  0  0  0  0999 V2000
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OICR-9429

>  <Synonyms> (629)
N/A

>  <Target> (629)
Histone Methyltransferase

>  <Form> (629)
Free Base

>  <CAS> (629)
1801787-56-3

>  <URL> (629)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
BFH772.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (630)
672

>  <Formula> (630)
C23H16F3N3O3

>  <MolWeight> (630)
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>  <Cat> (630)
S8188

>  <Name> (630)
BFH772

>  <Synonyms> (630)
BFH 772, BFH-772

>  <Target> (630)
VEGFR

>  <Form> (630)
Free Base

>  <CAS> (630)
890128-81-1

>  <URL> (630)
http://www.selleckchem.com/products/bfh772.html

$$$$
GSK269962.cdx
csChFnd80/06102009162D

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673

>  <Formula> (631)
C29H31ClN8O5

>  <MolWeight> (631)
607.06004

>  <Cat> (631)
S7687

>  <Name> (631)
GSK269962 HCl

>  <Synonyms> (631)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (631)
ROCK

>  <Form> (631)
hydrochloride

>  <CAS> (631)
850664-21-0(free base)

>  <URL> (631)
http://www.selleckchem.com/products/gsk269962.html

$$$$
NT157.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (632)
674

>  <Formula> (632)
C16H14BrNO5S

>  <MolWeight> (632)
412.25506

>  <Cat> (632)
S8228

>  <Name> (632)
NT157

>  <Synonyms> (632)
N/A

>  <Target> (632)
IGF-1R

>  <Form> (632)
Free Base

>  <CAS> (632)
1384426-12-3

>  <URL> (632)
http://www.selleckchem.com/products/nt157.html

$$$$
RO9021.cdx
csChFnd80/06102009162D

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Syk

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Free Base

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1446790-62-0

>  <URL> (633)
http://www.selleckchem.com/products/ro9021.html

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/06102009162D

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C26H24N8O2

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>  <Name> (634)
ARRY-380 (ONT-380)

>  <Synonyms> (634)
Tucatinib

>  <Target> (634)
HER2

>  <Form> (634)
Free Base

>  <CAS> (634)
937263-43-9

>  <URL> (634)
http://www.selleckchem.com/products/arry-380-ont-380.html

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/06102009162D

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c-Met

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Free Base

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1206799-15-6

>  <URL> (635)
http://www.selleckchem.com/products/ly2801653-merestinib.html

$$$$
GDC-0084.cdx
csChFnd80/06102009162D

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678

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>  <Synonyms> (636)
N/A

>  <Target> (636)
PI3K

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Free Base

>  <CAS> (636)
1382979-44-3

>  <URL> (636)
http://www.selleckchem.com/products/gdc-0084.html

$$$$
ML-7.cdx
csChFnd80/06102009162D

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ML-7 HCl

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N/A

>  <Target> (637)
Others

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hydrochloride

>  <CAS> (637)
110448-33-4

>  <URL> (637)
http://www.selleckchem.com/products/ml-7.html

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N/A

>  <Target> (638)
DNA-PK

>  <Form> (638)
Free Base

>  <CAS> (638)
1228013-15-7

>  <URL> (638)
http://www.selleckchem.com/products/cc-115.html

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>  <Synonyms> (639)
N/A

>  <Target> (639)
mTOR

>  <Form> (639)
Free Base

>  <CAS> (639)
1429639-50-8

>  <URL> (639)
http://www.selleckchem.com/products/cz415.html

$$$$
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>  <Formula> (640)
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>  <Cat> (640)
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>  <Synonyms> (640)
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>  <Target> (640)
ACK

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>  <CAS> (640)
1345098-78-3

>  <URL> (640)
http://www.selleckchem.com/products/xmd16-5.html

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    3.6289    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    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
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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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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 16 20  1  0  0  0  0
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 23 17  1  0  0  0  0
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  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 30  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> (641)
683

>  <Formula> (641)
C24H27N7O2

>  <MolWeight> (641)
445.51688

>  <Cat> (641)
S8272

>  <Name> (641)
XMD8-87

>  <Synonyms> (641)
N/A

>  <Target> (641)
ACK

>  <Form> (641)
Free Base

>  <CAS> (641)
1234480-46-6

>  <URL> (641)
http://www.selleckchem.com/products/xmd8-87.html

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/06102009162D

 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
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   14.5200    6.3000    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
 11 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 11  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (642)
684

>  <Formula> (642)
C25H30N6O2

>  <MolWeight> (642)
446.5447

>  <Cat> (642)
S8401

>  <Name> (642)
JNJ-42756493 (Erdafitinib)

>  <Synonyms> (642)
N/A

>  <Target> (642)
FGFR

>  <Form> (642)
Free Base

>  <CAS> (642)
1346242-81-6

>  <URL> (642)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

$$$$
Y-39983 HCl.cdx
csChFnd80/06102009162D

 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
   12.1043    4.2000    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
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    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
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 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> (643)
685

>  <Formula> (643)
C16H18Cl2N4O

>  <MolWeight> (643)
353.24632

>  <Cat> (643)
S7935

>  <Name> (643)
Y-39983 HCl

>  <Synonyms> (643)
Y-33075 HCl

>  <Target> (643)
ROCK

>  <Form> (643)
dihydrochloride

>  <CAS> (643)
173897-44-4

>  <URL> (643)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/06102009162D

 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
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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
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 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (644)
686

>  <Formula> (644)
C21H20N2O3S

>  <MolWeight> (644)
380.4601

>  <Cat> (644)
S8448

>  <Name> (644)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (644)
N/A

>  <Target> (644)
ROCK

>  <Form> (644)
Free Base

>  <CAS> (644)
557782-81-7

>  <URL> (644)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
STO-609.cdx
csChFnd80/06102009162D

 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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  2  0  0  0  0
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 16 12  1  0  0  0  0
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 13 21  2  0  0  0  0
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (645)
687

>  <Formula> (645)
C19H10N2O3

>  <MolWeight> (645)
314.2943

>  <Cat> (645)
S8274

>  <Name> (645)
STO-609

>  <Synonyms> (645)
N/A

>  <Target> (645)
CaMK

>  <Form> (645)
Free Base

>  <CAS> (645)
52029-86-4

>  <URL> (645)
http://www.selleckchem.com/products/sto-609.html

$$$$
NSC12.cdx
csChFnd80/06102009162D

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688

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C24H34F6O3

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NSC12

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NSC 172285

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FGFR

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Free Base

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102586-30-1

>  <URL> (646)
http://www.selleckchem.com/products/nsc12.html

$$$$
THZ1.cdx
csChFnd80/06102009162D

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689

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C31H30Cl3N7O2

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THZ1 2HCl

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N/A

>  <Target> (647)
CDK

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dihydrochloride

>  <CAS> (647)
1604810-83-4(free base)

>  <URL> (647)
http://www.selleckchem.com/products/thz1.html

$$$$
GSK2269557.cdx
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690

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C26H28N6O

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>  <Cat> (648)
S7937

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GSK2269557

>  <Synonyms> (648)
Nemiralisib

>  <Target> (648)
PI3K

>  <Form> (648)
Free Base

>  <CAS> (648)
1254036-71-9

>  <URL> (648)
http://www.selleckchem.com/products/gsk2269557.html

$$$$
S49076.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (649)
691

>  <Formula> (649)
C22H22N4O4S

>  <MolWeight> (649)
438.49948

>  <Cat> (649)
S8404

>  <Name> (649)
S49076

>  <Synonyms> (649)
N/A

>  <Target> (649)
c-Met  & FGFR

>  <Form> (649)
Free Base

>  <CAS> (649)
1265965-22-7

>  <URL> (649)
http://www.selleckchem.com/products/s49076.html

$$$$
GSK583.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (650)
692

>  <Formula> (650)
C20H19FN4O2S

>  <MolWeight> (650)
398.4538632

>  <Cat> (650)
S8261

>  <Name> (650)
GSK583

>  <Synonyms> (650)
N/A

>  <Target> (650)
NF-¦ÊB

>  <Form> (650)
Free Base

>  <CAS> (650)
1346547-00-9

>  <URL> (650)
http://www.selleckchem.com/products/gsk583.html

$$$$
ARQ 092.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (651)
693

>  <Formula> (651)
C27H25ClN6

>  <MolWeight> (651)
468.9806

>  <Cat> (651)
S8339

>  <Name> (651)
Miransertib (ARQ 092)HCl

>  <Synonyms> (651)
Miransertib

>  <Target> (651)
Akt

>  <Form> (651)
hydrochloride

>  <CAS> (651)
1313883-00-9

>  <URL> (651)
http://www.selleckchem.com/products/arq-092.html

$$$$
VPS34 inhibitor 1.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (652)
694

>  <Formula> (652)
C21H25N7O

>  <MolWeight> (652)
391.4695

>  <Cat> (652)
S8456

>  <Name> (652)
VPS34 inhibitor 1 (Compound 19, PIK-III anal

>  <Synonyms> (652)
N/A

>  <Target> (652)
PI3K

>  <Form> (652)
Free Base

>  <CAS> (652)
1383716-46-8

>  <URL> (652)
http://www.selleckchem.com/products/vps34-inhibitor-1.html

$$$$
OTS514.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (653)
695

>  <Formula> (653)
C21H21ClN2O2S

>  <MolWeight> (653)
400.92164

>  <Cat> (653)
S7652

>  <Name> (653)
OTS514 hydrochloride

>  <Synonyms> (653)
N/A

>  <Target> (653)
TOPK

>  <Form> (653)
hydrochloride

>  <CAS> (653)
1338540-63-8(free base)

>  <URL> (653)
http://www.selleckchem.com/products/ots514.html

$$$$
S8275-eFT-508.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (654)
697

>  <Formula> (654)
C17H20N6O2

>  <MolWeight> (654)
340.3797

>  <Cat> (654)
S8275

>  <Name> (654)
eFT-508 (eFT508)

>  <Synonyms> (654)
N/A

>  <Target> (654)
MNK

>  <Form> (654)
Free Base

>  <CAS> (654)
1849590-01-7

>  <URL> (654)
http://www.selleckchem.com/products/eft-508.html

$$$$
Urokinase inhibitor 1.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (655)
698

>  <Formula> (655)
C14H17Cl2N5O4S

>  <MolWeight> (655)
422.28688

>  <Cat> (655)
S8457

>  <Name> (655)
UK-371804 HCl

>  <Synonyms> (655)
UK-371804 HCl

>  <Target> (655)
Serine Protease

>  <Form> (655)
hydrochloride

>  <CAS> (655)
256476-36-5

>  <URL> (655)
http://www.selleckchem.com/products/uk-371804-hcl.html

$$$$
S7743-CCT196969.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (656)
699

>  <Formula> (656)
C27H24FN7O3

>  <MolWeight> (656)
513.5229632

>  <Cat> (656)
S7743

>  <Name> (656)
CCT196969

>  <Synonyms> (656)
N/A

>  <Target> (656)
Raf

>  <Form> (656)
Free Base

>  <CAS> (656)
1163719-56-9

>  <URL> (656)
http://www.selleckchem.com/products/cct196969.html

$$$$
LY2857785.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (661)
704

>  <Formula> (661)
C25H23ClN6O3

>  <MolWeight> (661)
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>  <Cat> (661)
S8166

>  <Name> (661)
ONO-4059 (GS-4059) hydrochloride

>  <Synonyms> (661)
N/A

>  <Target> (661)
BTK

>  <Form> (661)
hydrochloride

>  <CAS> (661)
1439901-97-9

>  <URL> (661)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/06102009162D

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705

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C19H15N3O2

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S7954

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CP21R7 (CP21)

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N/A

>  <Target> (662)
Wnt/beta-catenin

>  <Form> (662)
Free Base

>  <CAS> (662)
125314-13-8

>  <URL> (662)
http://www.selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/06102009162D

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xH2O
M  END
>  <Mol_ID> (663)
706

>  <Formula> (663)
C14H18ClN3O3RS

>  <MolWeight> (663)
343.82902

>  <Cat> (663)
S8208

>  <Name> (663)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (663)
N/A

>  <Target> (663)
ROCK

>  <Form> (663)
hydrochloride

>  <CAS> (663)
155558-32-0 (HCl salt)

>  <URL> (663)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
SUN11602.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (664)
707

>  <Formula> (664)
C26H37N5O2

>  <MolWeight> (664)
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>  <Cat> (664)
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>  <Name> (664)
SUN11602

>  <Synonyms> (664)
N/A

>  <Target> (664)
FGFR

>  <Form> (664)
Free Base

>  <CAS> (664)
704869-38-5

>  <URL> (664)
http://www.selleckchem.com/products/sun11602.html

$$$$
TGR-1202.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (665)
708

>  <Formula> (665)
C31H24F3N5O3

>  <MolWeight> (665)
571.5491696

>  <Cat> (665)
S8194

>  <Name> (665)
TGR-1202

>  <Synonyms> (665)
Rp-5264

>  <Target> (665)
PI3K

>  <Form> (665)
Free Base

>  <CAS> (665)
1532533-67-7

>  <URL> (665)
http://www.selleckchem.com/products/tgr-1202.html

$$$$
Nazartinib (EGF816, NVS-816).cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (666)
709

>  <Formula> (666)
C26H31ClN6O2

>  <MolWeight> (666)
495.01634

>  <Cat> (666)
S7824

>  <Name> (666)
Nazartinib (EGF816, NVS-816)

>  <Synonyms> (666)
N/A

>  <Target> (666)
EGFR

>  <Form> (666)
Free Base

>  <CAS> (666)
1508250-71-2

>  <URL> (666)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

$$$$
OTS964.cdx
csChFnd80/06102009162D

 30 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (667)
710

>  <Formula> (667)
C23H26Cl2N2O2S

>  <MolWeight> (667)
465.43574

>  <Cat> (667)
S7648

>  <Name> (667)
OTS964

>  <Synonyms> (667)
N/A

>  <Target> (667)
Others

>  <Form> (667)
dihydrochloride

>  <CAS> (667)
1338545-07-5(HCl salt)

>  <URL> (667)
http://www.selleckchem.com/products/ots964.html

$$$$
CC-930.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (668)
711

>  <Formula> (668)
C21H24ClF3N6O2

>  <MolWeight> (668)
484.9024696

>  <Cat> (668)
S8490

>  <Name> (668)
Tanzisertib(CC-930)

>  <Synonyms> (668)
JNK-930|JNKI-1

>  <Target> (668)
JNK

>  <Form> (668)
hydrochloride

>  <CAS> (668)
899805-25-5 (free base)

>  <URL> (668)
http://www.selleckchem.com/products/cc-930.html

$$$$
PD-166866.cdx
csChFnd80/06102009162D

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Syk

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hydrochloride salt

>  <CAS> (673)
1194961-19-7 (free base)

>  <URL> (673)
http://www.selleckchem.com/products/prt-060318-prt318-3hcl.html

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CFI-400945

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>  <Target> (674)
PLK

>  <Form> (674)
Free Base

>  <CAS> (674)
1338806-73-7

>  <URL> (674)
http://www.selleckchem.com/products/cfi-400945.html

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N/A

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DNA-PK

>  <Form> (675)
Free Base

>  <CAS> (675)
1943733-16-1

>  <URL> (675)
http://www.selleckchem.com/products/yu238259.html

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CRT0066101

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N/A

>  <Target> (676)
PKD1,PKD3,PKD2

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dihydrochloride 

>  <CAS> (676)
1883545-60-5

>  <URL> (676)
http://www.selleckchem.com/products/crt0066101.html

$$$$
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free base

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1879887-96-3

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http://www.selleckchem.com/products/lturm34.html

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free base

>  <CAS> (678)
1384071-99-1

>  <URL> (678)
http://www.selleckchem.com/products/ad80.html

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1437321-24-8

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http://www.selleckchem.com/products/rxdx-106-cep-40783.html

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>  <Mol_ID> (681)
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>  <Formula> (681)
C18H17ClN4O

>  <MolWeight> (681)
340.80678

>  <Cat> (681)
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>  <Name> (681)
MSC2530818

>  <Synonyms> (681)
N/A

>  <Target> (681)
CDK8

>  <Form> (681)
free base

>  <CAS> (681)
1883423-59-3

>  <URL> (681)
http://www.selleckchem.com/products/msc2530818.html

$$$$
Sitravatinib (MGCD516 ).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (682)
726

>  <Formula> (682)
C33H29F2N5O4S

>  <MolWeight> (682)
629.6762664

>  <Cat> (682)
S8573

>  <Name> (682)
Sitravatinib (MGCD516)

>  <Synonyms> (682)
MG-516

>  <Target> (682)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (682)
free base

>  <CAS> (682)
1123837-84-2

>  <URL> (682)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

$$$$
TPX-0005.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (683)
727

>  <Formula> (683)
C18H18FN5O2

>  <MolWeight> (683)
355.3662232

>  <Cat> (683)
S8583

>  <Name> (683)
TPX-0005

>  <Synonyms> (683)
N/A

>  <Target> (683)
 ALK,ALK(L1196M),ALK(G1202R),Src 

>  <Form> (683)
free base

>  <CAS> (683)
no

>  <URL> (683)
http://www.selleckchem.com/products/tpx-0005.html

$$$$
GSK2982772.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (684)
728

>  <Formula> (684)
C20H19N5O3

>  <MolWeight> (684)
377.39656

>  <Cat> (684)
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>  <Name> (684)
GSK2982772

>  <Synonyms> (684)
N/A

>  <Target> (684)
human RIP1

>  <Form> (684)
free base

>  <CAS> (684)
1622848-92-3

>  <URL> (684)
http://www.selleckchem.com/products/gsk2982772.html

$$$$
Amcasertib (BBI503).cdx
csChFnd80/06102009162D

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C31H33N5O2S

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Amcasertib (BBI503)

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N/A

>  <Target> (685)
Nanog

>  <Form> (685)
free base

>  <CAS> (685)
1129403-56-0

>  <URL> (685)
http://www.selleckchem.com/products/amcasertib-bbi503.html

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csChFnd80/06102009162D

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N/A

>  <Target> (686)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (686)
free base

>  <CAS> (686)
1174428-47-7

>  <URL> (686)
http://www.selleckchem.com/products/sf2523.html

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>  <MolWeight> (687)
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IPI-549

>  <Synonyms> (687)
N/A

>  <Target> (687)
PI3K¦Ã

>  <CAS> (687)
1693758-51-8

>  <URL> (687)
http://www.selleckchem.com/products/ipi-549.html

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N/A

>  <Target> (688)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (688)
hydrochloride 

>  <CAS> (688)
1952251-28-3

>  <URL> (688)
http://www.selleckchem.com/products/tak-659.html

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free base

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1402438-74-7

>  <URL> (689)
http://www.selleckchem.com/products/pf-06273340.html

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GSK'872 (GSK2399872A)

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N/A

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RIP3K

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Free base

>  <CAS> (690)
1346546-69-7

>  <URL> (690)
http://www.selleckchem.com/products/GSK872-GSK2399872A.html

$$$$
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csChFnd80/06102009162D

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C19H17N5O3

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N/A

>  <Target> (691)
PI3K¦Á 

>  <Form> (691)
Free base

>  <CAS> (691)
1268454-23-4

>  <URL> (691)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

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Sodium dichloroacetate(DCA).cdx
csChFnd80/06102009162D

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bichloroacetic acid, BCA

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PDK

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sodium salt

>  <CAS> (692)
2156-56-1

>  <URL> (692)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

$$$$
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csChFnd80/06102009162D

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M  END
>  <Mol_ID> (693)
737

>  <Formula> (693)
C33H44FN5O3

>  <MolWeight> (693)
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>  <Cat> (693)
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>  <Name> (693)
Belizatinib (TSR-011)

>  <Synonyms> (693)
N/A

>  <Target> (693)
ALK,TRK

>  <Form> (693)
free base

>  <CAS> (693)
1357920-84-3

>  <URL> (693)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

$$$$
Autophinib.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (694)
738

>  <Formula> (694)
C14H11ClN6O3

>  <MolWeight> (694)
346.72854

>  <Cat> (694)
S8596

>  <Name> (694)
Autophinib

>  <Synonyms> (694)
N/A

>  <Target> (694)
autophagy

>  <Form> (694)
free base

>  <CAS> (694)
1644443-47-9

>  <URL> (694)
http://www.selleckchem.com/products/autophinib.html

$$$$
PRN1371.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (695)
739

>  <Formula> (695)
C26H30Cl2N6O4

>  <MolWeight> (695)
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>  <Cat> (695)
S8578

>  <Name> (695)
PRN1371

>  <Synonyms> (695)
N/A

>  <Target> (695)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (695)
free base

>  <CAS> (695)
1802929-43-6

>  <URL> (695)
http://www.selleckchem.com/products/prn1371.html

$$$$
Gilteritinib (ASP2215).cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (696)
740

>  <Formula> (696)
C29H44N8O3

>  <MolWeight> (696)
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>  <Cat> (696)
S7754

>  <Name> (696)
Gilteritinib (ASP2215)

>  <Synonyms> (696)
N/A

>  <Target> (696)
FLT3,Axl 

>  <Form> (696)
free base

>  <CAS> (696)
1254053-43-4

>  <URL> (696)
http://www.selleckchem.com/products/gilteritinib-asp2215.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (697)
741

>  <Formula> (697)
C20H14ClN3O2

>  <MolWeight> (697)
363.79706

>  <Cat> (697)
S8632

>  <Name> (697)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (697)
N/A

>  <Target> (697)
Chk2

>  <Form> (697)
free base

>  <CAS> (697)
516480-79-8

>  <URL> (697)
http://www.selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
LY3214996.cdx
csChFnd80/06102009162D

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742

>  <Formula> (698)
C22H27N7O2S

>  <MolWeight> (698)
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>  <Cat> (698)
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>  <Name> (698)
LY3214996

>  <Synonyms> (698)
N/A

>  <Target> (698)
ERK1,ERK2

>  <Form> (698)
free base

>  <CAS> (698)
1951483-29-6

>  <URL> (698)
http://www.selleckchem.com/products/ly3214996.html

$$$$
PF-06409577.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (699)
743

>  <Formula> (699)
C19H16ClNO3

>  <MolWeight> (699)
341.78824

>  <Cat> (699)
S8335

>  <Name> (699)
PF-06409577

>  <Synonyms> (699)
N/A

>  <Target> (699)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (699)
free base

>  <CAS> (699)
1467057-23-3

>  <URL> (699)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
PKM2 inhibitor(compound 3k).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (700)
744

>  <Formula> (700)
C18H19NO2S2

>  <MolWeight> (700)
345.47896

>  <Cat> (700)
S8616

>  <Name> (700)
PKM2 inhibitor(compound 3k)

>  <Synonyms> (700)
N/A

>  <Target> (700)
PKM2

>  <Form> (700)
free base

>  <CAS> (700)
94164-88-2

>  <URL> (700)
http://www.selleckchem.com/products/pkm2-inhibitor-compound-3k.html

$$$$
MKC-3946.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (701)
745

>  <Formula> (701)
C21H20N2O3S

>  <MolWeight> (701)
380.4601

>  <Cat> (701)
S8286

>  <Name> (701)
MKC-3946

>  <Synonyms> (701)
N/A

>  <Target> (701)
IRE1¦Á endoribonuclease

>  <Form> (701)
free base

>  <CAS> (701)
1093119-54-0

>  <URL> (701)
http://www.selleckchem.com/products/mkc-3946.html

$$$$
CA-4948.cdx
csChFnd80/06102009162D

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N/A

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IRAK4

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free base

>  <CAS> (702)
1801343-74-7

>  <URL> (702)
http://www.selleckchem.com/products/ca-4948.html

$$$$
S3614 Lupeol.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (703)
748

>  <Formula> (703)
C30H50O

>  <MolWeight> (703)
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>  <Cat> (703)
S3614

>  <Name> (703)
Lupeol

>  <Synonyms> (703)
(3¦Â,13¦Î)-Lup-20(29)-en-3-ol, Clerodol, Monogynol B, Fagarasterol, Farganasterol

>  <Target> (703)
Others

>  <Form> (703)
free base

>  <CAS> (703)
545-47-1

>  <URL> (703)
http://www.selleckchem.com/products/lupeol.html

$$$$
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749

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>  <MolWeight> (704)
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>  <Name> (704)
BAY 1895344

>  <Synonyms> (704)
N/A

>  <Target> (704)
ATR

>  <Form> (704)
hydrochloride

>  <CAS> (704)
1876467-74-1(free base)

>  <URL> (704)
http://www.selleckchem.com/products/bay-1895344.html

$$$$
S5119 Olivetol.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (705)
750

>  <Formula> (705)
C11H16O2

>  <MolWeight> (705)
180.24354

>  <Cat> (705)
S5119

>  <Name> (705)
Olivetol

>  <Synonyms> (705)
5-Pentylresorcinol, 5-n-Amylresorcinol

>  <Target> (705)
CB1,CB2,CYP1A1,CYP2C19

>  <Form> (705)
free base

>  <CAS> (705)
500-66-3

>  <URL> (705)
http://www.selleckchem.com/products/olivetol.html

$$$$
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    0.9368    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 10 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 10  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (706)
751

>  <Formula> (706)
C17H15N9

>  <MolWeight> (706)
345.3613

>  <Cat> (706)
S7674

>  <Name> (706)
Savolitinib(AZD6094, HMPL-504)

>  <Synonyms> (706)
Volitinib

>  <Target> (706)
MET

>  <Form> (706)
free base

>  <CAS> (706)
1313725-88-0

>  <URL> (706)
http://www.selleckchem.com/products/hmpl-504-azd6094-volitinib.html

$$$$
S3801 Sodium Houttuyfonate.cdx
csChFnd80/06102009162D

 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
   16.9741    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   17.4865    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6496    1.9007    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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
M  END
>  <Mol_ID> (707)
752

>  <Formula> (707)
C14H27NaO5S

>  <MolWeight> (707)
330.41595

>  <Cat> (707)
S3801

>  <Name> (707)
Sodium Houttuyfonate

>  <Synonyms> (707)
N/A

>  <Target> (707)
Antifection

>  <Form> (707)
sodium salt

>  <CAS> (707)
1847-58-1

>  <URL> (707)
http://www.selleckchem.com/products/sodium-houttuyfonate.html

$$$$
S3813 Bakuchiol.cdx
csChFnd80/06102009162D

 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
    8.4795    2.0870    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
    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
    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
   12.1241    2.7479    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1391    4.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    2.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2821    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  2  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  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  1 17  1  1  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (708)
753

>  <Formula> (708)
C18H24O

>  <MolWeight> (708)
256.38256

>  <Cat> (708)
S3813

>  <Name> (708)
Bakuchiol

>  <Synonyms> (708)
(S)-(+)-Bakuchiol

>  <Target> (708)
Immunology & Inflammation related

>  <Form> (708)
free base

>  <CAS> (708)
10309-37-2

>  <URL> (708)
http://www.selleckchem.com/products/bakuchiol.html

$$$$
H3B-6527.cdx
csChFnd80/06102009162D

 43 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 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
    4.8497    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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    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
   16.9741    2.1000    0.0000 C   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
   18.1865    4.2000    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
   16.9741    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
  7 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  7  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  9 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
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 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
 37 38  1  0  0  0  0
 33 39  1  0  0  0  0
 36 40  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
M  END
>  <Mol_ID> (709)
754

>  <Formula> (709)
C29H34Cl2N8O4

>  <MolWeight> (709)
629.53746

>  <Cat> (709)
S8675

>  <Name> (709)
H3B-6527

>  <Synonyms> (709)
N/A

>  <Target> (709)
FGFR4

>  <Form> (709)
free base

>  <CAS> (709)
1702259-66-2

>  <URL> (709)
http://www.selleckchem.com/products/h3b-6527.html

$$$$
Takinib.cdx
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.7034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.9686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    4.8360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    4.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    3.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6848    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.2609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2792    3.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 18 24  2  0  0  0  0
M  END
>  <Mol_ID> (710)
755

>  <Formula> (710)
C18H18N4O2

>  <MolWeight> (710)
322.36112

>  <Cat> (710)
S8663

>  <Name> (710)
Takinib

>  <Synonyms> (710)
EDHS-206

>  <Target> (710)
TAK1,IRAK4,IRAK1

>  <Form> (710)
free base

>  <CAS> (710)
1111556-37-6

>  <URL> (710)
http://www.selleckchem.com/products/takinib.html

$$$$
PF-06651600.cdx
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
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 11 10  1  1  0  0  0
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M  END
>  <Mol_ID> (711)
757

>  <Formula> (711)
C15H19N5O

>  <MolWeight> (711)
285.34426

>  <Cat> (711)
S8538

>  <Name> (711)
PF-06651600

>  <Synonyms> (711)
N/A

>  <Target> (711)
JAK3 

>  <Form> (711)
free base

>  <CAS> (711)
1792180-81-4

>  <URL> (711)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/06102009162D

 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
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    4.8497    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> (712)
758

>  <Formula> (712)
C15H10O5

>  <MolWeight> (712)
270.2369

>  <Cat> (712)
S8696

>  <Name> (712)
2-D08
2-D08

>  <Synonyms> (712)
2',3',4'-trihydroxy flavone

>  <Target> (712)
c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

>  <Form> (712)
free base

>  <CAS> (712)
144707-18-6

>  <URL> (712)
http://selleckchem.com/products/2-d08.html

$$$$
S5045 Nomilin.cdx
csChFnd80/06102009162D

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    6.5763    4.9540    0.0000 C   0  0  0  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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  1  2  1  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
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
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M  END
>  <Mol_ID> (713)
760

>  <Formula> (713)
C28H34O9

>  <MolWeight> (713)
514.56416

>  <Cat> (713)
S5045

>  <Name> (713)
Nomilin

>  <Synonyms> (713)
N/A

>  <Target> (713)
Others

>  <Form> (713)
free base

>  <CAS> (713)
1063-77-0

>  <URL> (713)
http://selleckchem.com/products/nomilin.html

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/06102009162D

 34 35  0  0  0  0  0  0  0  0999 V2000
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   15.7617    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.5330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.2330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (714)
761

>  <Formula> (714)
C21H17ClF4N4O4

>  <MolWeight> (714)
500.8306928

>  <Cat> (714)
S5077

>  <Name> (714)
Regorafenib Monohydrate

>  <Synonyms> (714)
N/A

>  <Target> (714)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (714)
monohydrate

>  <CAS> (714)
1019206-88-2

>  <URL> (714)
http://selleckchem.com/products/regorafenib-monohydrate.html

$$$$
BGB-3111.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (715)
762

>  <Formula> (715)
C24H25N5O3

>  <MolWeight> (715)
431.487

>  <Cat> (715)
S8542

>  <Name> (715)
Btk inhibitor 2

>  <Synonyms> (715)
N/A

>  <Target> (715)
BTK

>  <Form> (715)
free base

>  <CAS> (715)
1558036-85-3

>  <URL> (715)
http://selleckchem.com/products/btk-inhibitor-2.html

$$$$
kira6.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (716)
763

>  <Formula> (716)
C28H25F3N6O

>  <MolWeight> (716)
518.5329096

>  <Cat> (716)
S8658

>  <Name> (716)
kira6

>  <Synonyms> (716)
N/A

>  <Target> (716)
Others

>  <CAS> (716)
1589527-65-0

>  <URL> (716)
http://selleckchem.com/products/kira6.html

$$$$
SNS-314.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (717)
764

>  <Formula> (717)
C18H15ClN6OS2

>  <MolWeight> (717)
430.9343

>  <Cat> (717)
S8699

>  <Name> (717)
SNS-314 Mesylate

>  <Synonyms> (717)
N/A

>  <Target> (717)
Aurora Kinase

>  <CAS> (717)
1057249-41-8

>  <URL> (717)
http://selleckchem.com/products/sns-314.html

$$$$
BMS-935177.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (718)
765

>  <Formula> (718)
C31H26N4O3

>  <MolWeight> (718)
502.56314

>  <Cat> (718)
S8348

>  <Name> (718)
BMS-935177

>  <Synonyms> (718)
N/A

>  <Target> (718)
BTK,Trk receptor,c-RET

>  <Form> (718)
free base

>  <CAS> (718)
1231889-53-4

>  <URL> (718)
http://selleckchem.com/products/bms-935177.html

$$$$
KPT-9274.cdx
csChFnd80/06102009162D

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free base

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1643913-93-2

>  <URL> (719)
http://selleckchem.com/products/kpt-9274.html

$$$$
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csChFnd80/06102009162D

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>  <Name> (720)
Asciminib (ABL001)

>  <Synonyms> (720)
N/A

>  <Target> (720)
Bcr-Abl

>  <Form> (720)
free base

>  <CAS> (720)
1492952-76-7

>  <URL> (720)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
Tenalisib (RP6530).cdx
csChFnd80/06102009162D

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N/A

>  <Target> (721)
PI3K

>  <Form> (721)
free base

>  <CAS> (721)
1639417-53-0

>  <URL> (721)
http://selleckchem.com/products/tenalisib-rp6530.html

$$$$
RAF709.cdx
csChFnd80/06102009162D

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  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  7 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  7  1  0  0  0  0
  9 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (722)
769

>  <Formula> (722)
C28H29F3N4O4

>  <MolWeight> (722)
542.5494696

>  <Cat> (722)
S8690

>  <Name> (722)
RAF709

>  <Synonyms> (722)
N/A

>  <Target> (722)
Raf

>  <Form> (722)
free base

>  <CAS> (722)
1628838-42-5

>  <URL> (722)
http://selleckchem.com/products/raf709.html

$$$$
S5060 Metadoxine.cdx
csChFnd80/06102009162D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.6360    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8513    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  8  1  1  0  0  0  0
  5  2  2  0  0  0  0
  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 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
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (723)
771

>  <Formula> (723)
C13H18N2O6

>  <MolWeight> (723)
298.29182

>  <Cat> (723)
S5060

>  <Name> (723)
 Metadoxine

>  <Synonyms> (723)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (723)
Others

>  <Form> (723)
salt

>  <CAS> (723)
74536-44-0

>  <URL> (723)
http://selleckchem.com/products/metadoxine.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/06102009162D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 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> (724)
772

>  <Formula> (724)
C10H16N5O8P

>  <MolWeight> (724)
365.236501

>  <Cat> (724)
S5284

>  <Name> (724)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (724)
5'-Adenylic acid, 5'-AMP

>  <Target> (724)
AMPK

>  <Form> (724)
hydrate 

>  <CAS> (724)
18422-05-4

>  <URL> (724)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5321 Y15.cdx
csChFnd80/06102009162D

 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
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    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
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (725)
773

>  <Formula> (725)
C6H14Cl4N4

>  <MolWeight> (725)
284.01416

>  <Cat> (725)
S5321

>  <Name> (725)
Y15

>  <Synonyms> (725)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (725)
FAK

>  <Form> (725)
tetrahydrochloride 

>  <CAS> (725)
4506-66-5

>  <URL> (725)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/06102009162D

 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
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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
    7.2746    0.7000    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 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
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 12 15  2  0  0  0  0
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 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (726)
775

>  <Formula> (726)
C18H16N2O

>  <MolWeight> (726)
276.33244

>  <Cat> (726)
S5313

>  <Name> (726)
SC66

>  <Synonyms> (726)
N/A

>  <Target> (726)
Akt

>  <Form> (726)
free base

>  <CAS> (726)
871361-88-5

>  <URL> (726)
http://selleckchem.com/products/sc66.html

$$$$
S5316 NU2058.cdx
csChFnd80/06102009162D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   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
 11  6  1  0  0  0  0
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 13 12  1  0  0  0  0
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 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (727)
776

>  <Formula> (727)
C12H17N5O

>  <MolWeight> (727)
247.29628

>  <Cat> (727)
S5316

>  <Name> (727)
NU2058

>  <Synonyms> (727)
O(6)-Cyclohexylmethylguanine

>  <Target> (727)
CDK

>  <Form> (727)
free base

>  <CAS> (727)
161058-83-9

>  <URL> (727)
http://selleckchem.com/products/nu2058.html

$$$$
AZD1390.cdx
csChFnd80/06102009162D

 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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M  END
>  <Mol_ID> (728)
777

>  <Formula> (728)
C27H32FN5O2

>  <MolWeight> (728)
477.5736832

>  <Cat> (728)
S8680

>  <Name> (728)
AZD1390

>  <Synonyms> (728)
N/A

>  <Target> (728)
ATM/ATR

>  <Form> (728)
free base

>  <CAS> (728)
2089288-03-7

>  <URL> (728)
http://selleckchem.com/products/azd1390.html

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (729)
778

>  <Formula> (729)
C22H25Cl2FN4O3

>  <MolWeight> (729)
483.3633032

>  <Cat> (729)
S5098

>  <Name> (729)
Gefitinib hydrochloride

>  <Synonyms> (729)
ZD1839 hydrochloride

>  <Target> (729)
EGFR

>  <Form> (729)
hydrochloride 

>  <CAS> (729)
184475-55-6

>  <URL> (729)
http://selleckchem.com/products/gefitinib-hydrochloride.html

$$$$
GSK'963.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (730)
779

>  <Formula> (730)
C14H18N2O

>  <MolWeight> (730)
230.30552

>  <Cat> (730)
S8642

>  <Name> (730)
GSK'963

>  <Synonyms> (730)
N/A

>  <Target> (730)
NF-¦ÊB,TNF-alpha

>  <Form> (730)
free base

>  <CAS> (730)
2049868-46-2

>  <URL> (730)
http://selleckchem.com/products/gsk963.html

$$$$
bpV (HOpic).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (731)
780

>  <Formula> (731)
C6H4K2NO8V

>  <MolWeight> (731)
347.23596

>  <Cat> (731)
S8651

>  <Name> (731)
bpV (HOpic)

>  <Synonyms> (731)
Bisperoxovanadium(HOpic)

>  <Target> (731)
PTEN

>  <Form> (731)
potassium 

>  <CAS> (731)
722494-26-0

>  <URL> (731)
http://selleckchem.com/products/bpv-hopic.html

$$$$
Anlotinib (AL3818).cdx
csChFnd80/06102009162D

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>  <Mol_ID> (732)
781

>  <Formula> (732)
C23H24Cl2FN3O3

>  <MolWeight> (732)
480.3593632

>  <Cat> (732)
S8726

>  <Name> (732)
Anlotinib (AL3818) dihydrochloride

>  <Synonyms> (732)
N/A

>  <Target> (732)
VEGFR

>  <Form> (732)
dihydrochloride 

>  <CAS> (732)
1360460-82-7

>  <URL> (732)
http://selleckchem.com/products/anlotinib-al3818.html

$$$$
DCC-2618.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (733)
782

>  <Formula> (733)
C26H21F2N5O3

>  <MolWeight> (733)
489.4734464

>  <Cat> (733)
S8721

>  <Name> (733)
DCC-2618

>  <Synonyms> (733)
N/A

>  <Target> (733)
c-Kit

>  <CAS> (733)
 1225278-16-9

>  <URL> (733)
http://selleckchem.com/products/dcc-2618.html

$$$$
S5069 Dabrafenib Mesylate.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (734)
784

>  <Formula> (734)
C24H24F3N5O5S3

>  <MolWeight> (734)
615.6680696

>  <Cat> (734)
S5069

>  <Name> (734)
Dabrafenib Mesylate

>  <Synonyms> (734)
GSK2118436 Mesylate

>  <Target> (734)
Raf

>  <Form> (734)
mesylate

>  <CAS> (734)
1195768-06-9

>  <URL> (734)
http://selleckchem.com/products/dabrafenib-mesylate.html

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (735)
785

>  <Formula> (735)
C33H39N5O7S

>  <MolWeight> (735)
649.75706

>  <Cat> (735)
S5234

>  <Name> (735)
Nintedanib Ethanesulfonate Salt

>  <Synonyms> (735)
Intedanib, BIBF 1120

>  <Target> (735)
VEGFR,FGFR,PDGFR

>  <Form> (735)
ethanesulfonate 

>  <CAS> (735)
656247-18-6

>  <URL> (735)
http://selleckchem.com/products/nintedanib-ethanesulfonate-salt.html

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/06102009162D

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   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> (736)
786

>  <Formula> (736)
C29H31FN4O7

>  <MolWeight> (736)
566.5774432

>  <Cat> (736)
S5242

>  <Name> (736)
Cediranib Maleate

>  <Synonyms> (736)
AZD-2171 maleate

>  <Target> (736)
VEGFR

>  <Form> (736)
maleate

>  <CAS> (736)
 857036-77-2

>  <URL> (736)
http://selleckchem.com/products/cediranib-maleate.html

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/06102009162D

  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> (737)
788

>  <Formula> (737)
C3H3BrO3

>  <MolWeight> (737)
166.95812

>  <Cat> (737)
S5426

>  <Name> (737)
Bromopyruvic acid

>  <Synonyms> (737)
3-Bromopyruvic acid, 3-Bromopyruvate

>  <Target> (737)
Others

>  <Form> (737)
free base

>  <CAS> (737)
1113-59-3

>  <URL> (737)
http://selleckchem.com/products/bromopyruvic-acid.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/06102009162D

 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> (738)
789

>  <Formula> (738)
C8H6BrN

>  <MolWeight> (738)
196.04394

>  <Cat> (738)
S5439

>  <Name> (738)
5-Bromoindole

>  <Synonyms> (738)
N/A

>  <Target> (738)
GSK-3

>  <Form> (738)
free base

>  <CAS> (738)
10075-50-0

>  <URL> (738)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/06102009162D

 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> (739)
790

>  <Formula> (739)
C11H12O4

>  <MolWeight> (739)
208.21058

>  <Cat> (739)
S5451

>  <Name> (739)
Ferulic acid methyl ester

>  <Synonyms> (739)
Methyl Ferulate, Methyl 4'-hydroxy-3'-methoxycinnamate

>  <Target> (739)
Immunology & Inflammation related

>  <Form> (739)
free base

>  <CAS> (739)
149567

>  <URL> (739)
http://selleckchem.com/products/ferulic-acid-methylester.html

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/06102009162D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (740)
791

>  <Formula> (740)
C20H14ClNO4

>  <MolWeight> (740)
367.78246

>  <Cat> (740)
S5452

>  <Name> (740)
Sanguinarine chloride

>  <Synonyms> (740)
N/A

>  <Target> (740)
phosphatase

>  <Form> (740)
chloride 

>  <CAS> (740)
5578-73-4

>  <URL> (740)
http://selleckchem.com/products/sanguinarine-chloride.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/06102009162D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
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 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
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 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (741)
792

>  <Formula> (741)
C29H36O15

>  <MolWeight> (741)
624.58714

>  <Cat> (741)
S5458

>  <Name> (741)
Verbascoside

>  <Synonyms> (741)
Acteoside, Kusaginin

>  <Target> (741)
Immunology & Inflammation related

>  <Form> (741)
free base

>  <CAS> (741)
61276-17-3

>  <URL> (741)
http://selleckchem.com/products/verbascoside.html

$$$$
S5464 Psoralidin.cdx
csChFnd80/06102009162D

 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
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    8.4674    0.0029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4752    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  5  9  1  0  0  0  0
  5  6  2  0  0  0  0
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  8 18  2  0  0  0  0
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 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
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 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (742)
793

>  <Formula> (742)
C20H16O5

>  <MolWeight> (742)
336.33804

>  <Cat> (742)
S5464

>  <Name> (742)
Psoralidin

>  <Synonyms> (742)
N/A

>  <Target> (742)
Estrogen/progestogen Receptor

>  <Form> (742)
free base

>  <CAS> (742)
18642-23-4

>  <URL> (742)
http://selleckchem.com/products/psoralidin.html

$$$$
S5529 Galangin.cdx
csChFnd80/06102009162D

 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
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    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
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    0.0000    2.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  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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 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (743)
794

>  <Formula> (743)
C15H10O5

>  <MolWeight> (743)
270.2369

>  <Cat> (743)
S5529

>  <Name> (743)
Galangin

>  <Synonyms> (743)
3,5,7-trihydroxyflavone; Norizalpinin

>  <Target> (743)
P450 (e.g. CYP17)

>  <Form> (743)
free base

>  <CAS> (743)
548-83-4

>  <URL> (743)
http://selleckchem.com/products/galangin.html

$$$$
S5534 Cinchocaine.cdx
csChFnd80/06102009162D

 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
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    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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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
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  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
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 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> (744)
795

>  <Formula> (744)
C20H29N3O2

>  <MolWeight> (744)
343.46316

>  <Cat> (744)
S5534

>  <Name> (744)
Cinchocaine

>  <Synonyms> (744)
Dibucaine

>  <Target> (744)
Others

>  <Form> (744)
free base

>  <CAS> (744)
85-79-0

>  <URL> (744)
http://selleckchem.com/products/cinchocaine.html

$$$$
UM-164.cdx
csChFnd80/06102009162D

 45 49  0  0  0  0  0  0  0  0999 V2000
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (745)
796

>  <Formula> (745)
C30H31F3N8O3S

>  <MolWeight> (745)
640.6791496

>  <Cat> (745)
S8706

>  <Name> (745)
UM-164

>  <Synonyms> (745)
N/A

>  <Target> (745)
Src,p38 MAPK

>  <Form> (745)
free base

>  <CAS> (745)
903564-48-7

>  <URL> (745)
http://selleckchem.com/products/um-164.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/06102009162D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1867    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7948    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3135    4.2145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
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  5  6  2  0  0  0  0
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 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (746)
797

>  <Formula> (746)
C28H23ClF3N7O

>  <MolWeight> (746)
565.9767296

>  <Cat> (746)
S5205

>  <Name> (746)
Nilotinib hydrochloride

>  <Synonyms> (746)
AMN-107 HCl

>  <Target> (746)
Bcr-Abl

>  <Form> (746)
hydrochloride 

>  <CAS> (746)
923288-95-3

>  <URL> (746)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/06102009162D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2798    2.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    2.6677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    4.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0798    2.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6798    1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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 12 13  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 17 25  1  0  0  0  0
 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
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 31 34  2  0  0  0  0
 16 35  1  0  0  0  0
M  END
>  <Mol_ID> (747)
798

>  <Formula> (747)
C22H23ClN4O7S

>  <MolWeight> (747)
522.95862

>  <Cat> (747)
S5240

>  <Name> (747)
lenvatinib Mesylate

>  <Synonyms> (747)
N/A

>  <Target> (747)
VEGFR

>  <Form> (747)
Mesylate

>  <CAS> (747)
 857890-39-2

>  <URL> (747)
http://selleckchem.com/products/lenvatinib-mesylate.html

$$$$
S5265 TBB.cdx
csChFnd80/06102009162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.3902    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2006    0.0000 Br  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
  9  2  1  0  0  0  0
  6  3  2  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
  5  4  2  0  0  0  0
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 12  5  1  0  0  0  0
 13  6  1  0  0  0  0
  7  8  2  0  0  0  0
  9  7  1  0  0  0  0
M  END
>  <Mol_ID> (748)
799

>  <Formula> (748)
C6HBr4N3

>  <MolWeight> (748)
434.70824

>  <Cat> (748)
S5265

>  <Name> (748)
TBB

>  <Synonyms> (748)
4,5,6,7-tetrabromobenzotriazole 

>  <Target> (748)
Casein Kinase

>  <CAS> (748)
17374-26-4

>  <URL> (748)
http://selleckchem.com/products/tbb.html

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/06102009162D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.6282    8.7151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9877    8.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0677    6.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7942    6.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8905    7.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2801    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 20  1  0  0  0  0
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 23 24  2  0  0  0  0
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 20 28  2  0  0  0  0
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 18 21  2  0  0  0  0
  5 18  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (749)
800

>  <Formula> (749)
C22H28FN4O6P

>  <MolWeight> (749)
494.4530842

>  <Cat> (749)
S5272

>  <Name> (749)
Toceranib phosphate

>  <Synonyms> (749)
SU11654

>  <Target> (749)
PDGFR¦Â

>  <Form> (749)
phosphate 

>  <CAS> (749)
874819-74-6

>  <URL> (749)
http://selleckchem.com/products/.html

$$$$
ARQ 531.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (750)
801

>  <Formula> (750)
C25H23ClN4O4

>  <MolWeight> (750)
478.92752

>  <Cat> (750)
S8711

>  <Name> (750)
ARQ 531

>  <Synonyms> (750)
N/A

>  <Target> (750)
BTK

>  <Form> (750)
free base

>  <CAS> (750)
2095393-15-8

>  <URL> (750)
http://selleckchem.com/products/.html

$$$$
Lazertinib (YH25448,GNS-1480).cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (751)
803

>  <Formula> (751)
C30H34N8O3

>  <MolWeight> (751)
554.64276

>  <Cat> (751)
S8724

>  <Name> (751)
Lazertinib (YH25448,GNS-1480)

>  <Form> (751)
free base

>  <CAS> (751)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (752)
804

>  <Formula> (752)
C9H10O5

>  <MolWeight> (752)
198.1727

>  <Cat> (752)
S5550

>  <Name> (752)
Ethyl gallate

>  <Synonyms> (752)
N/A

>  <Target> (752)
NF-¦ÊB

>  <CAS> (752)
831-61-8

>  <URL> (752)
http://selleckchem.com/products/.html

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (753)
805

>  <Formula> (753)
C15H24N2O2

>  <MolWeight> (753)
264.36326

>  <Cat> (753)
S9384

>  <Name> (753)
Sophocarpine Monohydrate

>  <Form> (753)
free base

>  <CAS> (753)
 145572-44-7

$$$$
S9414 Cyasterone.cdx
csChFnd80/06102009162D

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   10.3438    7.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5881    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5506    8.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    1.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    3.5009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2998    6.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0197    4.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6580    6.9224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.4307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9171    6.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7632    8.2805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8995    7.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2007    8.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7086    9.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3366    7.2058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589    0.5539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0231    6.0456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3246    9.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 37  1  6  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 14 19  2  0  0  0  0
 14 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  6  0  0  0
 15 22  1  1  0  0  0
 16 23  1  0  0  0  0
 16 38  1  1  0  0  0
 17 24  1  0  0  0  0
 20 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  1  0  0  0
 24 26  1  0  0  0  0
 28 25  1  6  0  0  0
 26 29  1  1  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  1  0  0  0
 31 34  1  0  0  0  0
 31 35  1  1  0  0  0
 32 36  2  0  0  0  0
 32 34  1  0  0  0  0
  8 39  1  6  0  0  0
 20 40  1  6  0  0  0
M  END
>  <Mol_ID> (754)
806

>  <Formula> (754)
C29H44O8

>  <MolWeight> (754)
520.65486

>  <Cat> (754)
S9414

>  <Name> (754)
Cyasterone

>  <Form> (754)
free base

>  <CAS> (754)
17086-76-9

$$$$
S9023 20S-Ginsenoside Rh2.cdx
csChFnd80/06102009162D

 48 52  0  0  0  0  0  0  0  0999 V2000
   10.9354    3.4844    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1564    4.1688    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7143    4.1842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9354    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8764    2.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1564    5.6309    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5754    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0354    3.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4932    3.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7143    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7143    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3543    6.3076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9354    6.3076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5754    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4932    2.0844    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2876    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1120    4.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3543    7.7076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9354    7.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2876    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0899    3.4844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5754    8.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1564    8.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9109    9.1932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0899    2.0844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8709    0.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8288    0.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7964    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    1.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9787    8.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    2.0844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1997    7.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6632    3.5076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    1.3846    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4208    8.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1997    6.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4265    4.2078    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2057    2.0844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4265    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2057    3.5076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4265    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    6.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9910    5.4054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7132    6.8676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6143    6.6654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0143    0.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  6  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 45  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 46  1  1  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 14  1  0  0  0  0
 12 47  1  6  0  0  0
 13 19  1  1  0  0  0
 15 20  1  0  0  0  0
 15 48  1  6  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  6  0  0  0
 18 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 25  1  0  0  0  0
 22 28  1  0  0  0  0
 25 29  1  1  0  0  0
 28 30  1  0  0  0  0
 31 29  1  1  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  6  0  0  0
 37 40  1  0  0  0  0
 37 41  1  1  0  0  0
 38 42  1  1  0  0  0
 38 40  1  0  0  0  0
 40 43  1  6  0  0  0
 41 44  1  0  0  0  0
M  END
>  <Mol_ID> (755)
807

>  <Formula> (755)
C36H62O8

>  <MolWeight> (755)
622.87268

>  <Cat> (755)
S9023

>  <Name> (755)
20S-Ginsenoside Rh2

>  <Form> (755)
free base

>  <CAS> (755)
78214-33-2

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/06102009162D

 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
   14.5545    3.5018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3438    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    4.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4879    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4945    8.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7912    5.0576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9824    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1996    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9156    5.5392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9156    6.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2736    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2695    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6113    6.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0882    6.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8759    6.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8776    8.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6654    9.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9351    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4214    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856    9.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856   10.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2982    8.3714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  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
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 10 19  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
  5 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  0  0  0  0
 30 27  1  0  0  0  0
 23 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 44  1  0  0  0  0
 22 35  1  1  0  0  0
 26 35  1  6  0  0  0
 12 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  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
 41 43  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  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> (756)
808

>  <Formula> (756)
C38H46O8

>  <MolWeight> (756)
630.76704

>  <Cat> (756)
S9031

>  <Name> (756)
Gambogenic acid

>  <Form> (756)
free base

>  <CAS> (756)
173932-75-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/06102009162D

 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
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (757)
809

>  <Formula> (757)
C21H20O6

>  <MolWeight> (757)
368.3799

>  <Cat> (757)
S9080

>  <Name> (757)
Anhydroicaritin

>  <Form> (757)
free base

>  <CAS> (757)
118525-40-9

$$$$
S9102 Magnolin.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (758)
810

>  <Formula> (758)
C23H28O7

>  <MolWeight> (758)
416.46422

>  <Cat> (758)
S9102

>  <Name> (758)
Magnolin

>  <CAS> (758)
31008-18-1

$$$$
S9111 Isorhamnetin.cdx
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (759)
811

>  <Formula> (759)
C16H12O7

>  <MolWeight> (759)
316.26228

>  <Cat> (759)
S9111

>  <Name> (759)
Isorhamnetin

>  <Form> (759)
free base

>  <CAS> (759)
480-19-3

$$$$
S9120 Scutellarein.cdx
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (760)
812

>  <Formula> (760)
C15H10O6

>  <MolWeight> (760)
286.2363

>  <Cat> (760)
S9120

>  <Name> (760)
Scutellarein

>  <CAS> (760)
529-53-3

$$$$
S9127 Carnosol.cdx
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (761)
813

>  <Formula> (761)
C20H26O4

>  <MolWeight> (761)
330.41804

>  <Cat> (761)
S9127

>  <Name> (761)
Carnosol

>  <Form> (761)
free base

>  <CAS> (761)
5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/06102009162D

 45 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (762)
814

>  <Formula> (762)
C37H40N2O6

>  <MolWeight> (762)
608.7233

>  <Cat> (762)
S9141

>  <Name> (762)
Berbamine

>  <Form> (762)
free base

>  <CAS> (762)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (763)
815

>  <Formula> (763)
C20H18NO4+

>  <MolWeight> (763)
336.36122

>  <Cat> (763)
S9152

>  <Name> (763)
Epiberberine

>  <Form> (763)
free base

>  <CAS> (763)
1816598

$$$$
S9162 Rubimaillin.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (764)
816

>  <Formula> (764)
C17H16O4

>  <MolWeight> (764)
284.30654

>  <Cat> (764)
S9162

>  <Name> (764)
Rubimaillin

>  <CAS> (764)
55481-88-4

$$$$
S9314 Atractylenolide II.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (765)
817

>  <Formula> (765)
C15H20O2

>  <MolWeight> (765)
232.3181

>  <Cat> (765)
S9314

>  <Name> (765)
Atractylenolide II

>  <Form> (765)
free base

>  <CAS> (765)
73069-14-4

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (766)
818

>  <Formula> (766)
C21H22O7

>  <MolWeight> (766)
386.39518

>  <Cat> (766)
S9315

>  <Name> (766)
Praeruptorin A

>  <Form> (766)
free base

>  <CAS> (766)
73069-25-7

$$$$
S5548 7-Hydroxy-4-chromone.cdx
csChFnd80/06102009162D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (767)
819

>  <Formula> (767)
C9H6O3

>  <MolWeight> (767)
162.14214

>  <Cat> (767)
S5548

>  <Name> (767)
7-Hydroxy-4-chromone

>  <Target> (767)
Src

>  <Form> (767)
free base

>  <CAS> (767)
59887-89-7

>  <URL> (767)
http://selleckchem.com/products/.html

$$$$
S9041 Corosolic acid.cdx
csChFnd80/06102009162D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 31  9  1  0  0  0  0
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M  END
>  <Mol_ID> (768)
820

>  <Formula> (768)
C30H48O4

>  <MolWeight> (768)
472.69972

>  <Cat> (768)
S9041

>  <Name> (768)
Corosolic acid

>  <Form> (768)
free base

>  <CAS> (768)
4547-24-4

$$$$
S9042 Wedelolactone.cdx
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (769)
821

>  <Formula> (769)
C16H10O7

>  <MolWeight> (769)
314.2464

>  <Cat> (769)
S9042

>  <Name> (769)
Wedelolactone

>  <Form> (769)
free base

>  <CAS> (769)
524-12-9

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (770)
822

>  <Formula> (770)
C15H8O4

>  <MolWeight> (770)
252.22162

>  <Cat> (770)
S9359

>  <Name> (770)
Anthraquinone-2-carboxylic Acid

>  <Form> (770)
free base

>  <CAS> (770)
117-78-2

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (771)
823

>  <Formula> (771)
C43H44ClFN4O11S3

>  <MolWeight> (771)
943.4760632

>  <Cat> (771)
S5241

>  <Name> (771)
Lapatinib ditosylate monohydrate

>  <Synonyms> (771)
Tykerb Ditosylate

>  <Target> (771)
Others

>  <Form> (771)
ditosylate monohydrate

>  <CAS> (771)
388082-78-8

>  <URL> (771)
http://selleckchem.com/products/.html

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (772)
824

>  <Formula> (772)
C22H27Cl2N7O2S

>  <MolWeight> (772)
524.46648

>  <Cat> (772)
S5254

>  <Name> (772)
Dasatinib hydrochloride

>  <Synonyms> (772)
BMS 354825 hydrochloride

>  <Target> (772)
Abl/Src

>  <Form> (772)
hydrochloride 

>  <CAS> (772)
854001-07-3

>  <URL> (772)
http://selleckchem.com/products/.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (773)
825

>  <Formula> (773)
C27H32F2N8

>  <MolWeight> (773)
506.5933864

>  <Cat> (773)
S5716

>  <Name> (773)
Abemaciclib

>  <Synonyms> (773)
LY2835219

>  <Target> (773)
CDK

>  <Form> (773)
free base

>  <CAS> (773)
1231929-97-7 

>  <URL> (773)
http://selleckchem.com/products/abemaciclib.html

$$$$
S5667 Fruquintinib.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (774)
826

>  <Formula> (774)
C21H19N3O5

>  <MolWeight> (774)
393.39266

>  <Cat> (774)
S5667

>  <Name> (774)
Fruquintinib

>  <Target> (774)
VEGFRs

>  <CAS> (774)
1194506-26-7

>  <URL> (774)
https://www.selleckchem.com/products/fruquintinib.html

$$$$

csChFnd80/06102009162D

 42 44  0  0  0  0  0  0  0  0999 V2000
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    5.8637    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9259    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7134    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3465    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9589    9.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9800    5.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    5.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3800    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7800    5.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 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  7  1  0  0  0  0
 12 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 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> (775)
828

>  <Formula> (775)
C29H37N7O5S

>  <MolWeight> (775)
595.71298

>  <Cat> (775)
S5078

>  <Name> (775)
Osimertinib mesylate

>  <Synonyms> (775)
AZD9291 mesylate

>  <Target> (775)
EGFR

>  <Form> (775)
mesylate

>  <CAS> (775)
1421373-66-1

>  <URL> (775)
http://www.selleckchem.com/products/osimertinib-mesylate.html

$$$$

csChFnd80/06102009162D

 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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    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4105    6.4294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  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> (776)
829

>  <Formula> (776)
C16H21Cl2N3

>  <MolWeight> (776)
326.26404

>  <Cat> (776)
S5670

>  <Name> (776)
Chloropyramine hydrochloride

>  <Synonyms> (776)
Halopyramine hydrochloride

>  <Target> (776)
Histamine Receptor

>  <Form> (776)
hydrochloride

>  <CAS> (776)
6170-42-9

>  <URL> (776)
http://www.selleckchem.com/products/chloropyramine-hydrochloride.html

$$$$

csChFnd80/06102009162D

 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
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    2.4081    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6905    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
  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
  2  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
 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> (777)
831

>  <Formula> (777)
C22H21ClN2O3

>  <MolWeight> (777)
396.86674

>  <Cat> (777)
S5792

>  <Name> (777)
CID 2011756

>  <Synonyms> (777)
N/A

>  <Target> (777)
Serine/threonin kina

>  <Form> (777)
Free Base

>  <CAS> (777)
638156-11-3

>  <URL> (777)
http://www.selleckchem.com/products/cid-2011756.html

$$$$

csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  7  1  1  0  0  0  0
 15  1  2  0  0  0  0
  5  2  2  0  0  0  0
 19  2  1  0  0  0  0
  3  9  2  0  0  0  0
  4  3  1  0  0  0  0
  6  3  1  0  0  0  0
 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
 26 20  1  0  0  0  0
 27 20  2  0  0  0  0
 23 28  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (778)
832

>  <Formula> (778)
C22H23N5O

>  <MolWeight> (778)
373.45092

>  <Cat> (778)
S5793

>  <Name> (778)
Motesanib (AMG-706)

>  <Synonyms> (778)
N/A

>  <Target> (778)
VEGFR

>  <Form> (778)
Free Base

>  <CAS> (778)
453562-69-1

>  <URL> (778)
http://www.selleckchem.com/products/motesanib-amg-706.html

$$$$

csChFnd80/06102009162D

 30 34  0  0  0  0  0  0  0  0999 V2000
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    5.8901    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1648    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  4 11  2  0  0  0  0
 12 13  1  1  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  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
 15 23  1  0  0  0  0
 18 23  2  0  0  0  0
 14 22  1  0  0  0  0
 12 14  1  0  0  0  0
  2 12  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
  3 24  1  0  0  0  0
  7 30  1  0  0  0  0
M  END
>  <Mol_ID> (779)
833

>  <Formula> (779)
C21H16FN7O

>  <MolWeight> (779)
401.3964432

>  <Cat> (779)
S5818

>  <Name> (779)
acalisib (GS-9820)

>  <Synonyms> (779)
CAL-120

>  <Target> (779)
PI3K

>  <Form> (779)
Free Base

>  <CAS> (779)
870281-34-8

>  <URL> (779)
http://www.selleckchem.com/products/acalisib-gs-9820.html

$$$$

csChFnd80/06102009162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2127    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    5.5854    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  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (780)
834

>  <Formula> (780)
C6H6Br6

>  <MolWeight> (780)
557.53584

>  <Cat> (780)
S5902

>  <Name> (780)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (780)
NSC7908

>  <Target> (780)
JAK

>  <Form> (780)
Free Base

>  <CAS> (780)
1837-91-8

>  <URL> (780)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/06102009162D

 22 24  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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    8.4870    7.0000    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
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 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
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 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (781)
835

>  <Formula> (781)
C16H15N3O3

>  <MolWeight> (781)
297.3086

>  <Cat> (781)
S5903

>  <Name> (781)
JANEX-1

>  <Synonyms> (781)
WHI-P131

>  <Target> (781)
JAK

>  <Form> (781)
Free Base

>  <CAS> (781)
202475-60-3

>  <URL> (781)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    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
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  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 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
  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> (782)
836

>  <Formula> (782)
C16H13Br2N3O3

>  <MolWeight> (782)
455.10072

>  <Cat> (782)
S5904

>  <Name> (782)
WHI-P97

>  <Synonyms> (782)
N/A

>  <Target> (782)
JAK

>  <Form> (782)
Free Base

>  <CAS> (782)
211555-05-4

>  <URL> (782)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/06102009162D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    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
    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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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  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 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  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
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (783)
837

>  <Formula> (783)
C22H23N5O2

>  <MolWeight> (783)
389.45032

>  <Cat> (783)
S5917

>  <Name> (783)
Solcitinib

>  <Synonyms> (783)
GLPG0778, GSK2586184

>  <Target> (783)
JAK

>  <Form> (783)
Free Base

>  <CAS> (783)
1206163-45-2

>  <URL> (783)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/06102009162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    2.6082    5.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8207    3.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    6.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    3.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2413    2.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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838

>  <Formula> (784)
C25H21F3N6O3S

>  <MolWeight> (784)
542.5328496

>  <Cat> (784)
S7965

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>  <Synonyms> (784)
N/A

>  <Target> (784)
Raf

>  <Form> (784)
Free Base

>  <CAS> (784)
1393466-87-9

>  <URL> (784)
http://www.selleckchem.com/products/plx8394.html

$$$$

csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
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839

>  <Formula> (785)
C16H20BrN5O

>  <MolWeight> (785)
378.2669

>  <Cat> (785)
S8526

>  <Name> (785)
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>  <Synonyms> (785)
N/A

>  <Target> (785)
Chk

>  <Form> (785)
Free Base

>  <CAS> (785)
1196541-47-5

>  <URL> (785)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (786)
840

>  <Formula> (786)
C24H28N4O3

>  <MolWeight> (786)
420.50412

>  <Cat> (786)
S8556

>  <Name> (786)
AZ31

>  <Synonyms> (786)
N/A

>  <Target> (786)
ATM/ATR

>  <Form> (786)
Free Base

>  <CAS> (786)
2088113-98-6

>  <URL> (786)
http://www.selleckchem.com/products/az31.html

$$$$

csChFnd80/06102009162D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (787)
841

>  <Formula> (787)
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>  <MolWeight> (787)
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>  <Cat> (787)
S8560

>  <Name> (787)
Seletalisib (UCB-5857)

>  <Synonyms> (787)
N/A

>  <Target> (787)
PI3K

>  <Form> (787)
Free Base

>  <CAS> (787)
1362850-20-1

>  <URL> (787)
http://www.selleckchem.com/products/seletalisib-ucb-5857.html

$$$$

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   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
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   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> (788)
842

>  <Formula> (788)
C29H29FN4O

>  <MolWeight> (788)
468.5651632

>  <Cat> (788)
S8609

>  <Name> (788)
Derazantinib(ARQ-087)

>  <Synonyms> (788)
N/A

>  <Target> (788)
FGFR

>  <Form> (788)
Free Base

>  <CAS> (788)
1234356-69-4

>  <URL> (788)
http://www.selleckchem.com/products/derazantinib.html

$$$$

csChFnd80/06102009162D

 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
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    4.5793    2.8000    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> (789)
843

>  <Formula> (789)
C13H12ClN3O2

>  <MolWeight> (789)
277.70628

>  <Cat> (789)
S8641

>  <Name> (789)
Nec-1s (7-Cl-O-Nec1)

>  <Synonyms> (789)
Necrostatin-1 stable

>  <Target> (789)
TNF-alpha

>  <Form> (789)
Free Base

>  <CAS> (789)
852391-15-2

>  <URL> (789)
http://www.selleckchem.com/products/nec-1s-7-cl-o-nec1.html

$$$$

csChFnd80/06102009162D

 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
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    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
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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> (790)
844

>  <Formula> (790)
C24H18ClN3O3

>  <MolWeight> (790)
431.87102

>  <Cat> (790)
S8654

>  <Name> (790)
ex229 (compound 991)

>  <Synonyms> (790)
N/A

>  <Target> (790)
AMPK

>  <Form> (790)
Free Base

>  <CAS> (790)
1219739-36-2

>  <URL> (790)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/06102009162D

 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
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    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4932   10.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0226    9.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  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> (791)
845

>  <Formula> (791)
C24H23FN8O2

>  <MolWeight> (791)
474.4902232

>  <Cat> (791)
S8679

>  <Name> (791)
BTK inhibitor 1 (Compound 27)

>  <Synonyms> (791)
N/A

>  <Target> (791)
BTK

>  <Form> (791)
Free Base

>  <CAS> (791)
2230724-66-8

>  <URL> (791)
http://www.selleckchem.com/products/btk-inhibitor-1-compound27.html

$$$$

csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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  4 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 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> (792)
846

>  <Formula> (792)
C14H11ClN4S2

>  <MolWeight> (792)
334.84694

>  <Cat> (792)
S8700

>  <Name> (792)
TP0427736 HCl

>  <Synonyms> (792)
N/A

>  <Target> (792)
ALK

>  <Form> (792)
hydrochloride

>  <CAS> (792)
864374-00-5

>  <URL> (792)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/06102009162D

 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
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    7.3222    3.5000    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
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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
  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> (793)
847

>  <Formula> (793)
C28H30FN3O4

>  <MolWeight> (793)
491.5539032

>  <Cat> (793)
S8723

>  <Name> (793)
ABBV-744

>  <Synonyms> (793)
N/A

>  <Target> (793)
Epigenetic Reader Do

>  <Form> (793)
Free Base

>  <CAS> (793)
2138861-99-9

>  <URL> (793)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/06102009162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (794)
848

>  <Formula> (794)
C18H18FN5O2S

>  <MolWeight> (794)
387.4312232

>  <Cat> (794)
S8727

>  <Name> (794)
Atuveciclib (BAY-1143572)

>  <Synonyms> (794)
N/A

>  <Target> (794)
CDK

>  <Form> (794)
Free Base

>  <CAS> (794)
1414943-88-6

>  <URL> (794)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 12  7  2  0  0  0  0
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 13 14  1  0  0  0  0
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 15 11  1  0  0  0  0
 15 16  1  0  0  0  0
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 21 16  1  0  0  0  0
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M  END
>  <Mol_ID> (795)
849

>  <Formula> (795)
C20H16N4O

>  <MolWeight> (795)
328.36724

>  <Cat> (795)
S8729

>  <Name> (795)
AZ32

>  <Synonyms> (795)
N/A

>  <Target> (795)
ATM/ATR

>  <Form> (795)
Free Base

>  <CAS> (795)
No CAS

>  <URL> (795)
http://www.selleckchem.com/products/az32.html

$$$$

csChFnd80/06102009162D

 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
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 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (796)
850

>  <Formula> (796)
C17H20F3N7O2

>  <MolWeight> (796)
411.3816096

>  <Cat> (796)
S8738

>  <Name> (796)
Bimiralisib (PQR309)

>  <Synonyms> (796)
N/A

>  <Target> (796)
PI3K

>  <Form> (796)
Free Base

>  <CAS> (796)
1225037-39-7

>  <URL> (796)
http://www.selleckchem.com/products/pqr309-bimiralisib.html

$$$$

csChFnd80/06102009162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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 10 11  2  0  0  0  0
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 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 25 29  1  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
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 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> (797)
851

>  <Formula> (797)
C26H26FN7O2

>  <MolWeight> (797)
487.5287432

>  <Cat> (797)
S8741

>  <Name> (797)
Avitinib (AC0010)

>  <Synonyms> (797)
N/A

>  <Target> (797)
EGFR

>  <Form> (797)
Free Base

>  <CAS> (797)
1557267-42-1

>  <URL> (797)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/06102009162D

 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
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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
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (798)
852

>  <Formula> (798)
C25H25F3N4O4

>  <MolWeight> (798)
502.4856096

>  <Cat> (798)
S8745

>  <Name> (798)
LXH254

>  <Synonyms> (798)
N/A

>  <Target> (798)
Raf

>  <Form> (798)
Free Base

>  <CAS> (798)
1800398-38-2

>  <URL> (798)
http://www.selleckchem.com/products/lxh254.html

$$$$

csChFnd80/06102009162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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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
 24 25  2  0  0  0  0
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 26 27  1  0  0  0  0
  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> (799)
853

>  <Formula> (799)
C21H25F3N6O2

>  <MolWeight> (799)
450.4574096

>  <Cat> (799)
S8752

>  <Name> (799)
leniolisib(CDZ 173)

>  <Synonyms> (799)
N/A

>  <Target> (799)
PI3K

>  <Form> (799)
Free Base

>  <CAS> (799)
1354690-24-6

>  <URL> (799)
http://www.selleckchem.com/products/leniolisib-cdz-173.html

$$$$

csChFnd80/06102009162D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (800)
854

>  <Formula> (800)
C19H15N3O6S

>  <MolWeight> (800)
413.4039

>  <Cat> (800)
S8754

>  <Name> (800)
Alofanib(RPT835)

>  <Synonyms> (800)
N/A

>  <Target> (800)
FGFR

>  <Form> (800)
Free Base

>  <CAS> (800)
1612888-66-0

>  <URL> (800)
http://www.selleckchem.com/products/alofanib-rpt835.html

$$$$

csChFnd80/06102009162D

 33 36  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
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 14 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 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> (801)
855

>  <Formula> (801)
C24H21BrFN5O2

>  <MolWeight> (801)
510.3582432

>  <Cat> (801)
S8757

>  <Name> (801)
Ripretinib (DCC-2618)

>  <Synonyms> (801)
N/A

>  <Target> (801)
c-Kit

>  <Form> (801)
Free Base

>  <CAS> (801)
1442472-39-0

>  <URL> (801)
http://www.selleckchem.com/products/ripretinib-dcc-2618.html

$$$$

csChFnd80/06102009162D

 36 41  0  0  0  0  0  0  0  0999 V2000
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
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 16  9  1  0  0  0  0
 11 17  2  0  0  0  0
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 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
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 31 27  2  0  0  0  0
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 35 30  1  0  0  0  0
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M  END
>  <Mol_ID> (802)
856

>  <Formula> (802)
C26H23FN8O

>  <MolWeight> (802)
482.5122232

>  <Cat> (802)
S8764

>  <Name> (802)
IITZ-01

>  <Synonyms> (802)
N/A

>  <Target> (802)
Autophagy

>  <Form> (802)
Free Base

>  <CAS> (802)
1807988-47-1

>  <URL> (802)
http://www.selleckchem.com/products/iitz-01.html

$$$$

csChFnd80/06102009162D

 29 33  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
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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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 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
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 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> (803)
857

>  <Formula> (803)
C24H24N4O

>  <MolWeight> (803)
384.47356

>  <Cat> (803)
S8775

>  <Name> (803)
HS-1371

>  <Synonyms> (803)
N/A

>  <Target> (803)
Serine/threonin kina

>  <Form> (803)
Free Base

>  <CAS> (803)
2158197-70-5

>  <URL> (803)
http://www.selleckchem.com/products/hs-1371.html

$$$$

csChFnd80/06102009162D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 21  2  0  0  0  0
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M  END
>  <Mol_ID> (804)
858

>  <Formula> (804)
C25H27N5O2

>  <MolWeight> (804)
429.51418

>  <Cat> (804)
S8777

>  <Name> (804)
Evobrutinib

>  <Synonyms> (804)
M-2951, MSC-2364447C

>  <Target> (804)
BTK

>  <Form> (804)
Free Base

>  <CAS> (804)
1415823-73-2

>  <URL> (804)
http://www.selleckchem.com/products/evobrutinib.html

$$$$

csChFnd80/06102009162D

 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
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  1  7  1  0  0  0  0
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  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
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 31 32  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (805)
859

>  <Formula> (805)
C22H21F3N6O2

>  <MolWeight> (805)
458.4363496

>  <Cat> (805)
S8801

>  <Name> (805)
CC-90003

>  <Synonyms> (805)
N/A

>  <Target> (805)
ERK

>  <Form> (805)
Free Base

>  <CAS> (805)
1621999-82-3

>  <URL> (805)
http://www.selleckchem.com/products/cc-90003.html

$$$$

csChFnd80/06102009162D

 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
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   11.0184    6.7591    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  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
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 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> (806)
860

>  <Formula> (806)
C27H19ClN2O3

>  <MolWeight> (806)
454.90436

>  <Cat> (806)
S8803

>  <Name> (806)
MK-3903

>  <Synonyms> (806)
N/A

>  <Target> (806)
AMPK

>  <Form> (806)
Free Base

>  <CAS> (806)
1219737-12-8

>  <URL> (806)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/06102009162D

 44 48  0  0  0  0  0  0  0  0999 V2000
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  5 22  1  0  0  0  0
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 31 36  1  0  0  0  0
 36 37  1  6  0  0  0
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 33 40  1  6  0  0  0
 32 30  1  1  0  0  0
 26 30  1  6  0  0  0
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 23 25  1  0  0  0  0
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M  END
>  <Mol_ID> (807)
861

>  <Formula> (807)
C28H32O16

>  <MolWeight> (807)
624.54408

>  <Cat> (807)
S9455

>  <Name> (807)
Isorhamnetin 3-O-neohesperoside

>  <Synonyms> (807)
N/A

>  <Target> (807)
Others

>  <Form> (807)
Free Base

>  <CAS> (807)
55033-90-4

>  <URL> (807)
http://www.selleckchem.com/products/isorhamnetin-3-o-neohesperoside.html

$$$$

csChFnd80/06102009162D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  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
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  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (808)
862

>  <Formula> (808)
C7H9N5

>  <MolWeight> (808)
163.17986

>  <Cat> (808)
S6088

>  <Name> (808)
6-(Dimethylamino)purine

>  <Synonyms> (808)
N,N-Dimethyladenine

>  <Target> (808)
Serine/threonin kina

>  <Form> (808)
free base

>  <CAS> (808)
938-55-6

>  <URL> (808)
http://www.selleck.cn/products/6-dimethylamino-purine.html

$$$$

csChFnd80/06102009162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    4.6406    7.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (809)
863

>  <Formula> (809)
C25H23FN8O2S2

>  <MolWeight> (809)
550.6309232

>  <Cat> (809)
S7564

>  <Name> (809)
SAR125844

>  <Synonyms> (809)
N/A

>  <Target> (809)
c-Met

>  <Form> (809)
free base

>  <CAS> (809)
1116743-46-4

>  <URL> (809)
http://www.selleck.cn/products/sar125844.html

$$$$

csChFnd80/06102009162D

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M  END
>  <Mol_ID> (810)
864

>  <Formula> (810)
C25H26N6O2

>  <MolWeight> (810)
442.51294

>  <Cat> (810)
S8584

>  <Name> (810)
Theliatinib (HMPL-309)

>  <Synonyms> (810)
N/A

>  <Target> (810)
EGFR

>  <Form> (810)
free base

>  <CAS> (810)
1353644-70-8

>  <URL> (810)
http://www.selleck.cn/products/theliatinib-hmpl-309.html

$$$$

csChFnd80/06102009162D

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M  END
>  <Mol_ID> (811)
866

>  <Formula> (811)
C14H21N5O2S

>  <MolWeight> (811)
323.41384

>  <Cat> (811)
S8765

>  <Name> (811)
PF-04965842

>  <Synonyms> (811)
N/A

>  <Target> (811)
JAK

>  <Form> (811)
free base

>  <CAS> (811)
1622902-68-4

>  <URL> (811)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/06102009162D

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M  END
>  <Mol_ID> (812)
867

>  <Formula> (812)
C24H26FN7O3

>  <MolWeight> (812)
479.5067432

>  <Cat> (812)
S8780

>  <Name> (812)
AZD3229

>  <Synonyms> (812)
N/A

>  <Target> (812)
c-Kit

>  <Form> (812)
free base

>  <CAS> (812)
2248003-60-1

>  <URL> (812)
http://www.selleck.cn/products/azd3229.html

$$$$

csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Formula> (813)
C18H11F3N2O

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S8807

>  <Name> (813)
PFK158

>  <Synonyms> (813)
N/A

>  <Target> (813)
Autophagy

>  <Form> (813)
free base

>  <CAS> (813)
1462249-75-7

>  <URL> (813)
http://www.selleck.cn/products/pfk158.html

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (814)
870

>  <Formula> (814)
C27H24F3N5O2

>  <MolWeight> (814)
507.5069696

>  <Cat> (814)
S8810

>  <Name> (814)
SPHINX31

>  <Synonyms> (814)
N/A

>  <Target> (814)
Serine/threonin kina

>  <Form> (814)
free base

>  <CAS> (814)
1818389-84-2

>  <URL> (814)
http://www.selleck.cn/products/sphinx31.html

$$$$

csChFnd80/06102009162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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871

>  <Formula> (815)
C21H19ClNO4+

>  <MolWeight> (815)
384.83286

>  <Cat> (815)
S1292

>  <Name> (815)
Chelerythrine Chloride

>  <Synonyms> (815)
N/A

>  <Target> (815)
PKC

>  <Form> (815)
Chloride

>  <CAS> (815)
3895-92-9

>  <URL> (815)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/06102009162D

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872

>  <Formula> (816)
C26H31Cl2N7O3

>  <MolWeight> (816)
560.47544

>  <Cat> (816)
S2183

>  <Name> (816)
BGJ398 (NVP-BGJ398|Infigratinib)

>  <Synonyms> (816)
N/A

>  <Target> (816)
FGFR

>  <Form> (816)
Free Base

>  <CAS> (816)
872511-34-7

>  <URL> (816)
http://www.selleck.cn/products/bgj398-nvp-bgj398.html

$$$$

csChFnd80/06102009162D

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1899921-05-1

>  <URL> (818)
http://www.selleck.cn/products/hs-10296.html

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>  <URL> (819)
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877

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C19H17N3O

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S2382

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Evodiamine

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NF-¦ÊB

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Free Base

>  <CAS> (821)
518-17-2

>  <URL> (821)
http://www.selleck.cn/products/Evodiamine(Isoevodiamine).html

$$$$

csChFnd80/06102009162D

 31 35  0  0  0  0  0  0  0  0999 V2000
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878

>  <Formula> (822)
C23H21N5O3

>  <MolWeight> (822)
415.44454

>  <Cat> (822)
S2780

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>  <Synonyms> (822)
N/A

>  <Target> (822)
Epigenetic Reader Do

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Free Base

>  <CAS> (822)
1300031-49-5

>  <URL> (822)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
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 20  7  1  0  0  0  0
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>  <Mol_ID> (823)
879

>  <Formula> (823)
C23H26N6O2

>  <MolWeight> (823)
418.49154

>  <Cat> (823)
S6414

>  <Name> (823)
Apilimod

>  <Synonyms> (823)
STA-5326

>  <Target> (823)
PI3K

>  <Form> (823)
Free Base

>  <CAS> (823)
541550-19-0

>  <URL> (823)
http://www.selleck.cn/products/apilimod.html

$$$$

csChFnd80/06102009162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (824)
C25H35N3O2

>  <MolWeight> (824)
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>  <Cat> (824)
S6418

>  <Name> (824)
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>  <Synonyms> (824)
N/A

>  <Target> (824)
S1P Receptor

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Free Base

>  <CAS> (824)
947303-87-9

>  <URL> (824)
http://www.selleck.cn/products/pf429242.html

$$$$

csChFnd80/06102009162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 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
 17 10  1  0  0  0  0
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 18 13  1  0  0  0  0
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M  END
>  <Mol_ID> (825)
881

>  <Formula> (825)
C23H19NO3

>  <MolWeight> (825)
357.40186

>  <Cat> (825)
S6424

>  <Name> (825)
TAS-301

>  <Synonyms> (825)
N/A

>  <Target> (825)
Others

>  <Form> (825)
Free Base

>  <CAS> (825)
193620-69-8

>  <URL> (825)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/06102009162D

 40 44  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (826)
883

>  <Formula> (826)
C29H39ClN7O2P

>  <MolWeight> (826)
584.092421

>  <Cat> (826)
S8229

>  <Name> (826)
Brigatinib (AP26113)

>  <Synonyms> (826)
N/A

>  <Target> (826)
ALK

>  <Form> (826)
Free Base

>  <CAS> (826)
1197953-54-0

>  <URL> (826)
http://www.selleck.cn/products/brigatinib-ap26113.html

$$$$

csChFnd80/06102009162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
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 10 11  2  0  0  0  0
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 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
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 20 15  1  0  0  0  0
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M  END
>  <Mol_ID> (827)
884

>  <Formula> (827)
C19H18N4O3

>  <MolWeight> (827)
350.37122

>  <Cat> (827)
S8684

>  <Name> (827)
Selective JAK3 inhibitor 1

>  <Synonyms> (827)
N/A

>  <Target> (827)
JAK

>  <Form> (827)
Free Base

>  <CAS> (827)
1443235-95-7

>  <URL> (827)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/06102009162D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 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> (828)
885

>  <Formula> (828)
C23H20FN7O

>  <MolWeight> (828)
429.4496032

>  <Cat> (828)
S8693

>  <Name> (828)
Selective PI3K¦Ä Inhibitor 1 (compound 7n)

>  <Synonyms> (828)
N/A

>  <Target> (828)
PI3K

>  <Form> (828)
Free Base

>  <CAS> (828)
2088525-31-7

>  <URL> (828)
http://www.selleck.cn/products/selective-pi3k-inhibitor-1.html

$$$$

csChFnd80/06102009162D

 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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   20.5979    6.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1184173-73-6

>  <URL> (829)
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>  <Synonyms> (830)
N/A

>  <Target> (830)
Epigenetic Reader Do

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1628607-64-6

>  <URL> (830)
http://www.selleck.cn/products/incb054329.html

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2095616-82-1

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http://www.selleck.cn/products/ch7057288.html

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  3 10  1  6  0  0  0
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 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 10  1  0  0  0  0
 15 18  1  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 12 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 12  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 11 34  2  0  0  0  0
 11 35  1  0  0  0  0
M  END
>  <Mol_ID> (832)
889

>  <Formula> (832)
C27H29N5O3

>  <MolWeight> (832)
471.55086

>  <Cat> (832)
S8791

>  <Name> (832)
Zanubrutinib (BGB-3111)

>  <Synonyms> (832)
N/A

>  <Target> (832)
BTK

>  <Form> (832)
Free Base

>  <CAS> (832)
1691249-45-2

>  <URL> (832)
http://www.selleck.cn/products/zanubrutini-bgb-3111.html

$$$$

csChFnd80/06102009162D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3397    4.6331    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4880    3.7736    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  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 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> (833)
890

>  <Formula> (833)
C22H16F4N4OS

>  <MolWeight> (833)
460.4472528

>  <Cat> (833)
S8793

>  <Name> (833)
ULK-101

>  <Synonyms> (833)
N/A

>  <Target> (833)
Autophagy

>  <Form> (833)
Free Base

>  <CAS> (833)
no cas

>  <URL> (833)
http://www.selleck.cn/products/ulk-101.html

$$$$

csChFnd80/06102009162D

 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
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   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6875    4.1903    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
  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
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (834)
891

>  <Formula> (834)
C14H14ClFN8

>  <MolWeight> (834)
348.7659632

>  <Cat> (834)
S2162

>  <Name> (834)
AZD1480

>  <Synonyms> (834)
N/A

>  <Target> (834)
JAK

>  <Form> (834)
free base

>  <CAS> (834)
935666-88-9

>  <URL> (834)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/06102009162D

 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
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   14.7365    4.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3998    2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 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> (835)
892

>  <Formula> (835)
C26H21F3N4O4

>  <MolWeight> (835)
510.4645496

>  <Cat> (835)
S6412

>  <Name> (835)
Altiratinib

>  <Synonyms> (835)
DCC-2701

>  <Target> (835)
Trk receptor

>  <Form> (835)
free base

>  <CAS> (835)
1345847-93-9

>  <URL> (835)
http://www.selleck.cn/products/altiratinib.html

$$$$

csChFnd80/06102009162D

 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
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   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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   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
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 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> (836)
893

>  <Formula> (836)
C13H13NO3S

>  <MolWeight> (836)
263.31222

>  <Cat> (836)
S6497

>  <Name> (836)
SMI-16a

>  <Synonyms> (836)
N/A

>  <Target> (836)
Pim

>  <Form> (836)
free base

>  <CAS> (836)
587852-28-6

>  <URL> (836)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/06102009162D

 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
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N/A

>  <Target> (837)
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free base

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924473-59-6

>  <URL> (837)
http://www.selleck.cn/products/t56-limki.html

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csChFnd80/06102009162D

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895

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C16H13ClN4

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S6499

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N/A

>  <Target> (838)
Serine/threonin kina

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free base

>  <CAS> (838)
1811510-56-1

>  <URL> (838)
http://www.selleck.cn/products/pf-6260933.html

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csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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896

>  <Formula> (839)
C16H13FN2O2

>  <MolWeight> (839)
284.2850232

>  <Cat> (839)
S6500

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>  <Synonyms> (839)
N/A

>  <Target> (839)
Src

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free base

>  <CAS> (839)
518058-84-9

>  <URL> (839)
http://www.selleck.cn/products/kx1-004.html

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 31 36  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (840)
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>  <Cat> (840)
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>  <Name> (840)
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>  <Synonyms> (840)
N/A

>  <Target> (840)
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free base

>  <CAS> (840)
362003-83-6

>  <URL> (840)
http://www.selleck.cn/products/nvp-231.html

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898

>  <Formula> (841)
C20H20ClN5O2

>  <MolWeight> (841)
397.8581

>  <Cat> (841)
S6502

>  <Name> (841)
SD 0006

>  <Synonyms> (841)
N/A

>  <Target> (841)
p38 MAPK

>  <Form> (841)
free base

>  <CAS> (841)
271576-80-8

>  <URL> (841)
http://www.selleck.cn/products/sd-0006.html

$$$$

csChFnd80/06102009162D

 32 35  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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  5  9  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
  9 13  2  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 14 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
 15 20  2  0  0  0  0
 21 22  1  0  0  0  0
 16 21  1  0  0  0  0
 19 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 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
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 14 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (842)
899

>  <Formula> (842)
C22H19ClN2O6S

>  <MolWeight> (842)
474.91406

>  <Cat> (842)
S6503

>  <Name> (842)
LX2343

>  <Synonyms> (842)
N/A

>  <Target> (842)
BACE

>  <Form> (842)
free base

>  <CAS> (842)
333745-53-2

>  <URL> (842)
http://www.selleck.cn/products/lx2343.html

$$$$

csChFnd80/06102009162D

 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
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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
  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
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 14 17  1  0  0  0  0
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M  END
>  <Mol_ID> (843)
900

>  <Formula> (843)
C15H14N4O2

>  <MolWeight> (843)
282.29726

>  <Cat> (843)
S6504

>  <Name> (843)
BX517

>  <Synonyms> (843)
N/A

>  <Target> (843)
PDK

>  <Form> (843)
free base

>  <CAS> (843)
850717-64-5

>  <URL> (843)
http://www.selleck.cn/products/bx517.html

$$$$

csChFnd80/06102009162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   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
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   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
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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
  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
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 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
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M  END
>  <Mol_ID> (844)
901

>  <Formula> (844)
C25H25Cl2FN6O3

>  <MolWeight> (844)
547.4088032

>  <Cat> (844)
S6505

>  <Name> (844)
X-376

>  <Synonyms> (844)
N/A

>  <Target> (844)
ALK

>  <Form> (844)
free base

>  <CAS> (844)
1365267-27-1

>  <URL> (844)
http://www.selleck.cn/products/x-376.html

$$$$

csChFnd80/06102009162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 13 17  1  0  0  0  0
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 18 14  1  0  0  0  0
 17 15  1  0  0  0  0
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M  END
>  <Mol_ID> (845)
902

>  <Formula> (845)
C16H15N3O2

>  <MolWeight> (845)
281.3092

>  <Cat> (845)
S6506

>  <Name> (845)
Compound 401

>  <Synonyms> (845)
N/A

>  <Target> (845)
DNA-PK

>  <Form> (845)
free base

>  <CAS> (845)
168425-64-7

>  <URL> (845)
http://www.selleck.cn/products/compound-401.html

$$$$

csChFnd80/06102009162D

 36 37  0  0  0  0  0  0  0  0999 V2000
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    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> (846)
903

>  <Formula> (846)
C24H28ClN2O7PS

>  <MolWeight> (846)
554.980081

>  <Cat> (846)
S6507

>  <Name> (846)
KN-92 phosphate

>  <Synonyms> (846)
N/A

>  <Target> (846)
Others

>  <Form> (846)
phosphate

>  <CAS> (846)
1135280-28-2

>  <URL> (846)
http://www.selleck.cn/products/kn-92-phosphate.html

$$$$

csChFnd80/06102009162D

 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
    7.4622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.3124    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  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
  5 10  1  0  0  0  0
 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> (847)
904

>  <Formula> (847)
C24H26N4O3S

>  <MolWeight> (847)
450.55324

>  <Cat> (847)
S6508

>  <Name> (847)
Mitapivat

>  <Synonyms> (847)
AG-348

>  <Target> (847)
PKM

>  <Form> (847)
free base

>  <CAS> (847)
1260075-17-9

>  <URL> (847)
http://www.selleck.cn/products/mitapivat.html

$$$$

csChFnd80/06102009162D

 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
    9.8052    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.5628    0.7057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    6.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4157    6.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9989    7.6838    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4157    7.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2058    8.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7855    8.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.5535    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5535    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  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> (848)
906

>  <Formula> (848)
C14H19Cl2N3O2S

>  <MolWeight> (848)
364.29056

>  <Cat> (848)
S6510

>  <Name> (848)
Iso-H7 dihydrochloride

>  <Synonyms> (848)
N/A

>  <Target> (848)
Phosphorylase

>  <Form> (848)
dihydrochloride

>  <CAS> (848)
140663-38-3

>  <URL> (848)
http://www.selleck.cn/products/iso-h7-dihydrochloride.html

$$$$

csChFnd80/06102009162D

 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
    4.5249    2.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.7373    2.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    2.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.1257    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3471    0.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 11 12  2  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
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (849)
907

>  <Formula> (849)
C13H19NO2

>  <MolWeight> (849)
221.29546

>  <Cat> (849)
S6511

>  <Name> (849)
RIPA-56

>  <Synonyms> (849)
N/A

>  <Target> (849)
TNF-alpha

>  <Form> (849)
free base

>  <CAS> (849)
1956370-21-0

>  <URL> (849)
http://www.selleck.cn/products/ripa-56.html

$$$$

csChFnd80/06102009162D

 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
   10.9151    6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3415    6.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (850)
908

>  <Formula> (850)
C16H23NO4

>  <MolWeight> (850)
293.35812

>  <Cat> (850)
S6512

>  <Name> (850)
MHP

>  <Synonyms> (850)
N/A

>  <Target> (850)
S1P Receptor

>  <Form> (850)
free base

>  <CAS> (850)
1104874-94-3

>  <URL> (850)
http://www.selleck.cn/products/defensamide.html

$$$$

csChFnd80/06102009162D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.8830    8.7327    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0533   10.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2730    2.9662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3063    5.9324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2532    0.9865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3533    9.8854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5531    8.2670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0531   10.6398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    4.3990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
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1356962-34-9

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http://www.selleck.cn/products/hg-14-10-04.html

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free base

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1032754-81-6

>  <URL> (852)
http://www.selleck.cn/products/gne-477.html

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>  <CAS> (853)
575474-82-7

>  <URL> (853)
http://www.selleck.cn/products/r112.html

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>  <Formula> (854)
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>  <CAS> (854)
211555-08-7

>  <URL> (854)
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>  <Formula> (855)
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>  <Synonyms> (855)
N/A

>  <Target> (855)
JAK

>  <Form> (855)
free base

>  <CAS> (855)
21561-09-1

>  <URL> (855)
http://www.selleck.cn/products/whi-p258.html

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csChFnd80/06102009162D

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  2  6  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (856)
916

>  <Formula> (856)
C23H24N2O

>  <MolWeight> (856)
344.44946

>  <Cat> (856)
S6524

>  <Name> (856)
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>  <Synonyms> (856)
JAK2 Inhibitor V

>  <Target> (856)
JAK

>  <Form> (856)
free base

>  <CAS> (856)
195371-52-9

>  <URL> (856)
http://www.selleck.cn/products/nsc-42834.html

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csChFnd80/06102009162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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918

>  <Formula> (857)
C20H14F3N3S

>  <MolWeight> (857)
385.4054696

>  <Cat> (857)
S6529

>  <Name> (857)
NIH-12848

>  <Synonyms> (857)
N/A

>  <Target> (857)
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>  <Form> (857)
free base

>  <CAS> (857)
959551-10-1

>  <URL> (857)
http://www.selleck.cn/products/nih-12848.html

$$$$

csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (858)
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>  <Formula> (858)
C16H14N2O2S2

>  <MolWeight> (858)
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>  <Cat> (858)
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>  <Synonyms> (858)
N/A

>  <Target> (858)
Casein Kinase

>  <Form> (858)
free base

>  <CAS> (858)
329907-28-0

>  <URL> (858)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (859)
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>  <Formula> (859)
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>  <MolWeight> (859)
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>  <Cat> (859)
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>  <Name> (859)
CVT-313

>  <Synonyms> (859)
N/A

>  <Target> (859)
CDK

>  <Form> (859)
free base

>  <CAS> (859)
199986-75-9

>  <URL> (859)
http://www.selleck.cn/products/cvt-313.html

$$$$

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csChFnd80/06102009162D

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EGFR

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1952236-05-3

>  <URL> (861)
http://www.selleck.cn/products/mtx-211.html

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csChFnd80/06102009162D

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free base

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413599-62-9

>  <URL> (862)
http://www.selleck.cn/products/zd-4190.html

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1454585-06-8

>  <URL> (863)
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   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    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
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 10 12  2  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 36 40  2  0  0  0  0
M  END
>  <Mol_ID> (864)
926

>  <Formula> (864)
C28H28F3N5O4

>  <MolWeight> (864)
555.5482296

>  <Cat> (864)
S6545

>  <Name> (864)
BI-4464

>  <Synonyms> (864)
N/A

>  <Target> (864)
FAK

>  <Form> (864)
free base

>  <CAS> (864)
1227948-02-8

>  <URL> (864)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 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
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 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
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 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> (865)
927

>  <Formula> (865)
C22H19N3O3

>  <MolWeight> (865)
373.40456

>  <Cat> (865)
S6567

>  <Name> (865)
Src Inhibitor 1

>  <Synonyms> (865)
N/A

>  <Target> (865)
Src

>  <Form> (865)
free base

>  <CAS> (865)
179248-59-0

>  <URL> (865)
http://www.selleck.cn/products/src-inhibitor-1.html

$$$$

csChFnd80/06102009162D

 26 28  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
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 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
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 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 14 17  1  0  0  0  0
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  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (866)
928

>  <Formula> (866)
C19H20N4O3

>  <MolWeight> (866)
352.3871

>  <Cat> (866)
S6571

>  <Name> (866)
BQR695

>  <Synonyms> (866)
NVP-BQR695

>  <Target> (866)
PI4K

>  <Form> (866)
free base

>  <CAS> (866)
1513879-21-4

>  <URL> (866)
http://www.selleck.cn/products/bqr695.html

$$$$

csChFnd80/06102009162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
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  1  7  2  0  0  0  0
 10 11  2  0  0  0  0
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 13 18  2  0  0  0  0
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 16 19  1  0  0  0  0
  9 13  1  0  0  0  0
 12 23  1  0  0  0  0
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M  END
>  <Mol_ID> (867)
929

>  <Formula> (867)
C22H18ClN5O2

>  <MolWeight> (867)
419.86362

>  <Cat> (867)
S6574

>  <Name> (867)
KDU691

>  <Synonyms> (867)
N/A

>  <Target> (867)
PI4K

>  <Form> (867)
free base

>  <CAS> (867)
1513879-19-0

>  <URL> (867)
http://www.selleck.cn/products/kdu691.html

$$$$

csChFnd80/06102009162D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (868)
930

>  <Formula> (868)
C20H25F3N6O3

>  <MolWeight> (868)
454.4461096

>  <Cat> (868)
S6577

>  <Name> (868)
PKC-theta inhibitor

>  <Synonyms> (868)
N/A

>  <Target> (868)
PKC

>  <Form> (868)
free base

>  <CAS> (868)
736048-65-0

>  <URL> (868)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  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
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 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
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 14 18  1  0  0  0  0
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M  END
>  <Mol_ID> (869)
931

>  <Formula> (869)
C16H16F3N5

>  <MolWeight> (869)
335.3269496

>  <Cat> (869)
S6578

>  <Name> (869)
Longdaysin

>  <Synonyms> (869)
N/A

>  <Target> (869)
Casein Kinase

>  <Form> (869)
free base

>  <CAS> (869)
1353867-91-0

>  <URL> (869)
http://www.selleck.cn/products/longdaysin.html

$$$$

csChFnd80/06102009162D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
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 27 23  1  0  0  0  0
 10 28  2  0  0  0  0
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 29 30  1  0  0  0  0
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 31 10  1  0  0  0  0
 29 32  1  0  0  0  0
 25 33  1  0  0  0  0
M  END
>  <Mol_ID> (870)
932

>  <Formula> (870)
C21H17N9O2S

>  <MolWeight> (870)
459.48378

>  <Cat> (870)
S8676

>  <Name> (870)
Glumetinib

>  <Synonyms> (870)
N/A

>  <Target> (870)
c-Met

>  <Form> (870)
free base

>  <CAS> (870)
1642581-63-2

>  <URL> (870)
http://www.selleck.cn/products/glumetinib.html

$$$$

csChFnd80/06102009162D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (871)
933

>  <Formula> (871)
C20H12F2N6

>  <MolWeight> (871)
374.3462864

>  <Cat> (871)
S8854

>  <Name> (871)
JNJ-38877618(OMO-1)

>  <Synonyms> (871)
N/A

>  <Target> (871)
c-Met

>  <Form> (871)
free base

>  <CAS> (871)
943540-74-7

>  <URL> (871)
http://www.selleck.cn/products/jnj-38877618.html

$$$$

csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (872)
934

>  <Formula> (872)
C21H31N5O2

>  <MolWeight> (872)
385.50314

>  <Cat> (872)
S8864

>  <Name> (872)
ZT-12-037-01

>  <Synonyms> (872)
N/A

>  <Target> (872)
Serine/threonin kina

>  <Form> (872)
free base

>  <CAS> (872)
2328073-61-4

>  <URL> (872)
http://www.selleck.cn/products/zt-12-037-01.html

$$$$

csChFnd80/06102009162D

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M  END
>  <Mol_ID> (873)
936

>  <Formula> (873)
C26H34N8O

>  <MolWeight> (873)
474.60116

>  <Cat> (873)
S8568

>  <Name> (873)
G1T38

>  <Synonyms> (873)
Lerociclib

>  <Target> (873)
CDK

>  <Form> (873)
free base

>  <CAS> (873)
1628256-23-4

>  <URL> (873)
http://www.selleck.cn/products/g1t38.html

$$$$
AY-20590
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (874)
937

>  <Formula> (874)
C16H10N2O2

>  <MolWeight> (874)
262.2628

>  <Cat> (874)
P3252

>  <Name> (874)
AY-20590

>  <Synonyms> (874)
N/A

>  <Target> (874)
Mcl-1,Anti-infection,PDGFR

>  <Form> (874)
free base

>  <CAS> (874)
57490-73-0

>  <URL> (874)
N/A

$$$$
WAY-313218
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (875)
938

>  <Formula> (875)
C19H20FNO

>  <MolWeight> (875)
297.3666032

>  <Cat> (875)
P3321

>  <Name> (875)
WAY-313218

>  <Synonyms> (875)
N/A

>  <Target> (875)
11¦Â-HSD1 

>  <Form> (875)
free base

>  <CAS> (875)
260428-69-1

>  <URL> (875)
N/A

$$$$
WAY-313013
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (876)
939

>  <Formula> (876)
C12H14BrNO2

>  <MolWeight> (876)
284.14906

>  <Cat> (876)
P3319

>  <Name> (876)
WAY-313013

>  <Synonyms> (876)
N/A

>  <Target> (876)
p38,histamine-3 (H3) receptor

>  <Form> (876)
free base

>  <CAS> (876)
326898-76-4

>  <URL> (876)
N/A

$$$$
GI-560708
csChFnd80/06102009162D

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 16 18  1  0  0  0  0
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 25 26  1  0  0  0  0
  8 10  2  0  0  0  0
 15 17  2  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (877)
940

>  <Formula> (877)
C20H18N4O2

>  <MolWeight> (877)
346.38252

>  <Cat> (877)
P3258

>  <Name> (877)
GI-560708

>  <Synonyms> (877)
N/A

>  <Target> (877)
BCR-ABL 

>  <Form> (877)
free base

>  <CAS> (877)
2362-25-6

>  <URL> (877)
N/A

$$$$
WAY-311066
csChFnd80/06102009162D

 27 29  0  0  0  0  0  0  0  0999 V2000
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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
  3  6  1  0  0  0  0
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  4  8  1  0  0  0  0
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  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 11 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
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 18 23  1  0  0  0  0
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 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> (878)
941

>  <Formula> (878)
C21H17N3O3

>  <MolWeight> (878)
359.37798

>  <Cat> (878)
P3314

>  <Name> (878)
WAY-311066

>  <Synonyms> (878)
N/A

>  <Target> (878)
Casein kinase 1¦Ä

>  <Form> (878)
free base

>  <CAS> (878)
332074-85-8

>  <URL> (878)
N/A

$$$$
WAY-312567
csChFnd80/06102009162D

 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
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   -0.0101    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7481   -1.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  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> (879)
942

>  <Formula> (879)
C16H20N2O2S

>  <MolWeight> (879)
304.4072

>  <Cat> (879)
P3317

>  <Name> (879)
WAY-312567

>  <Synonyms> (879)
N/A

>  <Target> (879)
Anti-infection

>  <Form> (879)
free base

>  <CAS> (879)
330955-59-4

>  <URL> (879)
N/A

$$$$
WAY-312157
csChFnd80/06102009162D

 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
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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
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  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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  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> (880)
943

>  <Formula> (880)
C14H18N2O2S

>  <MolWeight> (880)
278.36992

>  <Cat> (880)
P3316

>  <Name> (880)
WAY-312157

>  <Synonyms> (880)
N/A

>  <Target> (880)
ATP-utilizing enzyme

>  <Form> (880)
free base

>  <CAS> (880)
354544-70-0

>  <URL> (880)
N/A

$$$$
WAY-114228
csChFnd80/06102009162D

 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
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    3.6326    2.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (881)
944

>  <Formula> (881)
C21H23NO

>  <MolWeight> (881)
305.41342

>  <Cat> (881)
P3264

>  <Name> (881)
WAY-114228

>  <Synonyms> (881)
N/A

>  <Target> (881)
MEK1

>  <Form> (881)
free base

>  <CAS> (881)
333325-96-5

>  <URL> (881)
N/A

$$$$
WAY-239320
csChFnd80/06102009162D

 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
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    9.6703    4.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8830    4.1745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8830    2.7983    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  2  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
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  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 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
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 16  6  1  0  0  0  0
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  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> (882)
945

>  <Formula> (882)
C22H21N3O4

>  <MolWeight> (882)
391.41984

>  <Cat> (882)
P3268

>  <Name> (882)
WAY-239320

>  <Synonyms> (882)
N/A

>  <Target> (882)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (882)
free base

>  <CAS> (882)
378775-98-5

>  <URL> (882)
N/A

$$$$
WAY-248134
csChFnd80/06102009162D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (883)
946

>  <Formula> (883)
C10H11N3OS

>  <MolWeight> (883)
221.27884

>  <Cat> (883)
P3270

>  <Name> (883)
WAY-248134

>  <Synonyms> (883)
N/A

>  <Target> (883)
LIMK1£¬IKK¦Â

>  <Form> (883)
free base

>  <CAS> (883)
67795-42-0

>  <URL> (883)
N/A

$$$$
WAY-296817
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (884)
947

>  <Formula> (884)
C17H16N2O3S

>  <MolWeight> (884)
328.38554

>  <Cat> (884)
P3296

>  <Name> (884)
WAY-296817

>  <Synonyms> (884)
N/A

>  <Target> (884)
casein kinase 1

>  <Form> (884)
free base

>  <CAS> (884)
349438-74-0

>  <URL> (884)
N/A

$$$$
WAY-296818
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (885)
948

>  <Formula> (885)
C17H16N2O2S

>  <MolWeight> (885)
312.38614

>  <Cat> (885)
P3297

>  <Name> (885)
WAY-296818

>  <Synonyms> (885)
N/A

>  <Target> (885)
casein kinase 1

>  <Form> (885)
free base

>  <CAS> (885)
349438-77-3

>  <URL> (885)
N/A

$$$$
WAY-635764
csChFnd80/06102009162D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 23  9  1  0  0  0  0
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M  END
>  <Mol_ID> (886)
949

>  <Formula> (886)
C23H31N3O5

>  <MolWeight> (886)
429.50934

>  <Cat> (886)
P3487

>  <Name> (886)
WAY-635764

>  <Synonyms> (886)
N/A

>  <Target> (886)
Aurora kinase A

>  <Form> (886)
free base

>  <CAS> (886)
790267-88-8

>  <URL> (886)
N/A

$$$$
WAY-635767
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (887)
950

>  <Formula> (887)
C12H12ClN3O

>  <MolWeight> (887)
249.69618

>  <Cat> (887)
P3488

>  <Name> (887)
WAY-635767

>  <Synonyms> (887)
N/A

>  <Target> (887)
Aurora kinase A

>  <Form> (887)
free base

>  <CAS> (887)
790232-33-6

>  <URL> (887)
N/A

$$$$
WAY-654447
csChFnd80/06102009162D

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 10  3  2  0  0  0  0
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 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (888)
951

>  <Formula> (888)
C16H14N4O2

>  <MolWeight> (888)
294.30796

>  <Cat> (888)
P3519

>  <Name> (888)
WAY-654447

>  <Synonyms> (888)
N/A

>  <Target> (888)
FLT3,Androgen Receptor

>  <Form> (888)
free base

>  <CAS> (888)
852304-07-5

>  <URL> (888)
N/A

$$$$
CL-16859
csChFnd80/06102009162D

 18 19  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
  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
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 10 13  1  0  0  0  0
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 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> (889)
952

>  <Formula> (889)
C14H20N2O2

>  <MolWeight> (889)
248.3208

>  <Cat> (889)
P3254

>  <Name> (889)
CL-16859

>  <Synonyms> (889)
N/A

>  <Target> (889)
Anti-infection 

>  <Form> (889)
free base

>  <CAS> (889)
438025-86-6

>  <URL> (889)
N/A

$$$$
WAY-320706
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  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
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 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> (890)
953

>  <Formula> (890)
C13H11ClN6OS2

>  <MolWeight> (890)
366.84904

>  <Cat> (890)
P3328

>  <Name> (890)
WAY-320706

>  <Synonyms> (890)
N/A

>  <Target> (890)
Anti-infection, ATOH-1

>  <Form> (890)
free base

>  <CAS> (890)
370092-42-5

>  <URL> (890)
N/A

$$$$
WAY-320774
csChFnd80/06102009162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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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> (891)
954

>  <Formula> (891)
C19H16N4O2S

>  <MolWeight> (891)
364.42094

>  <Cat> (891)
P3329

>  <Name> (891)
WAY-320774

>  <Synonyms> (891)
N/A

>  <Target> (891)
Kanamycin Resistance Enzyme Eis

>  <Form> (891)
free base

>  <CAS> (891)
425653-38-9

>  <URL> (891)
N/A

$$$$
WAY-320951
csChFnd80/06102009162D

 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
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  1  4  2  0  0  0  0
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  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
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 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> (892)
955

>  <Formula> (892)
C14H11N3O4S

>  <MolWeight> (892)
317.31984

>  <Cat> (892)
P3330

>  <Name> (892)
WAY-320951

>  <Synonyms> (892)
N/A

>  <Target> (892)
Anti-infection

>  <Form> (892)
free base

>  <CAS> (892)
430444-03-4

>  <URL> (892)
N/A

$$$$
WAY-321002
csChFnd80/06102009162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  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> (893)
956

>  <Formula> (893)
C20H16N4

>  <MolWeight> (893)
312.36784

>  <Cat> (893)
P3331

>  <Name> (893)
WAY-321002

>  <Synonyms> (893)
N/A

>  <Target> (893)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (893)
free base

>  <CAS> (893)
166039-38-9

>  <URL> (893)
N/A

$$$$
WAY-321364
csChFnd80/06102009162D

 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
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   -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> (894)
957

>  <Formula> (894)
C21H17N3O4

>  <MolWeight> (894)
375.37738

>  <Cat> (894)
P3332

>  <Name> (894)
WAY-321364

>  <Synonyms> (894)
N/A

>  <Target> (894)
casein kinase 2

>  <Form> (894)
free base

>  <CAS> (894)
385389-39-9

>  <URL> (894)
N/A

$$$$
WAY-321366
csChFnd80/06102009162D

 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
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    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
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   -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> (895)
958

>  <Formula> (895)
C20H14ClN3O3

>  <MolWeight> (895)
379.79646

>  <Cat> (895)
P3333

>  <Name> (895)
WAY-321366

>  <Synonyms> (895)
N/A

>  <Target> (895)
tyrosine kinase

>  <Form> (895)
free base

>  <CAS> (895)
370854-75-4

>  <URL> (895)
N/A

$$$$
WAY-321582-A
csChFnd80/06102009162D

 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
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   -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> (896)
959

>  <Formula> (896)
C13H11N3O

>  <MolWeight> (896)
225.24594

>  <Cat> (896)
P3334

>  <Name> (896)
WAY-321582-A

>  <Synonyms> (896)
N/A

>  <Target> (896)
casein kinase 2

>  <Form> (896)
free base

>  <CAS> (896)
34116-16-0

>  <URL> (896)
N/A

$$$$
WAY-321873
csChFnd80/06102009162D

 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
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   -0.5500   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
  9  6  1  0  0  0  0
 10 20  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  9  2  0  0  0  0
 15  9  1  0  0  0  0
 16  3  2  0  0  0  0
 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 11  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 26  1  0  0  0  0
 24  8  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  2  0  0  0  0
 27 17  1  0  0  0  0
 28 17  2  0  0  0  0
 29 28  1  0  0  0  0
 30 27  2  0  0  0  0
 31 29  2  0  0  0  0
 21 20  1  0  0  0  0
 25 23  2  0  0  0  0
  7  4  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (897)
960

>  <Formula> (897)
C21H17N5O4S

>  <MolWeight> (897)
435.45578

>  <Cat> (897)
P3335

>  <Name> (897)
WAY-321873

>  <Synonyms> (897)
N/A

>  <Target> (897)
 GATA4-NKX2-5,AKT

>  <Form> (897)
free base

>  <CAS> (897)
547704-53-0

>  <URL> (897)
N/A

$$$$
WAY-321961
csChFnd80/06102009162D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.8875   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0042   -3.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -3.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8167   -5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9542   -1.9167    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
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  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  3  2  0  0  0  0
 10  6  1  0  0  0  0
 11  8  2  0  0  0  0
 12  2  1  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
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  6  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (898)
961

>  <Formula> (898)
C12H11NO3

>  <MolWeight> (898)
217.22064

>  <Cat> (898)
P3336

>  <Name> (898)
WAY-321961

>  <Synonyms> (898)
N/A

>  <Target> (898)
protein kinase D

>  <Form> (898)
free base

>  <CAS> (898)
370586-05-3

>  <URL> (898)
N/A

$$$$
WAY-322545
csChFnd80/06102009162D

 23 25  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
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15 17  2  0  0  0  0
 16 12  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 19 15  1  0  0  0  0
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 23 18  1  0  0  0  0
  4  3  1  0  0  0  0
 21 18  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
>  <Mol_ID> (899)
962

>  <Formula> (899)
C17H19ClN2O3

>  <MolWeight> (899)
334.79736

>  <Cat> (899)
P3337

>  <Name> (899)
WAY-322545

>  <Synonyms> (899)
N/A

>  <Target> (899)
GSK-3¦Á/¦Â

>  <Form> (899)
free base

>  <CAS> (899)
451449-70-0

>  <URL> (899)
N/A

$$$$
WAY-322940
csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.3756    5.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5609    7.0117    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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  6  1  1  0  0  0  0
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  8 11  2  0  0  0  0
  9  6  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12  9  1  0  0  0  0
 13  7  2  0  0  0  0
 14  5  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17  6  2  0  0  0  0
 18 14  2  0  0  0  0
 19  4  1  0  0  0  0
 20 26  2  0  0  0  0
 21 13  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 27  2  0  0  0  0
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  2  5  2  0  0  0  0
 13 18  1  0  0  0  0
  8 10  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (900)
963

>  <Formula> (900)
C22H20N4O4S

>  <MolWeight> (900)
436.4836

>  <Cat> (900)
P3338

>  <Name> (900)
WAY-322940

>  <Synonyms> (900)
N/A

>  <Target> (900)
Rho 

>  <Form> (900)
free base

>  <CAS> (900)
445267-51-6

>  <URL> (900)
N/A

$$$$
WAY-604116
csChFnd80/06102009162D

 20 23  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  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
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 18 20  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (901)
964

>  <Formula> (901)
C17H22N2O

>  <MolWeight> (901)
270.36938

>  <Cat> (901)
P3436

>  <Name> (901)
WAY-604116

>  <Synonyms> (901)
N/A

>  <Target> (901)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (901)
free base

>  <CAS> (901)
121768-39-6

>  <URL> (901)
N/A

$$$$
WAY-603610
csChFnd80/06102009162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 17  7  2  0  0  0  0
 18 11  1  0  0  0  0
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 20 10  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
  9 10  2  0  0  0  0
  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> (902)
965

>  <Formula> (902)
C17H19N3OS

>  <MolWeight> (902)
313.41726

>  <Cat> (902)
P3434

>  <Name> (902)
WAY-603610

>  <Synonyms> (902)
N/A

>  <Target> (902)
GSK3

>  <Form> (902)
free base

>  <CAS> (902)
380450-97-5

>  <URL> (902)
N/A

$$$$
WAY-603814
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.6589   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (903)
966

>  <Formula> (903)
C16H13ClN2O3

>  <MolWeight> (903)
316.73902

>  <Cat> (903)
P3435

>  <Name> (903)
WAY-603814

>  <Synonyms> (903)
N/A

>  <Target> (903)
FGFR1, HSP 90 

>  <Form> (903)
free base

>  <CAS> (903)
308298-51-3

>  <URL> (903)
N/A

$$$$
WAY-636900
csChFnd80/06102009162D

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 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> (904)
967

>  <Formula> (904)
C20H20N4O5S

>  <MolWeight> (904)
428.4616

>  <Cat> (904)
P3489

>  <Name> (904)
WAY-636900

>  <Synonyms> (904)
N/A

>  <Target> (904)
Aurora kinase A

>  <Form> (904)
free base

>  <CAS> (904)
792965-51-6

>  <URL> (904)
N/A

$$$$
WAY-636982
csChFnd80/06102009162D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  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
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 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (905)
968

>  <Formula> (905)
C10H14N2O4

>  <MolWeight> (905)
226.22916

>  <Cat> (905)
P3490

>  <Name> (905)
WAY-636982

>  <Synonyms> (905)
N/A

>  <Target> (905)
Aurora kinase A

>  <Form> (905)
free base

>  <CAS> (905)
834-45-7

>  <URL> (905)
N/A

$$$$
WAY-637081
csChFnd80/06102009162D

 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
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 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> (906)
969

>  <Formula> (906)
C17H11ClN4O2

>  <MolWeight> (906)
338.74784

>  <Cat> (906)
P3491

>  <Name> (906)
WAY-637081

>  <Synonyms> (906)
N/A

>  <Target> (906)
VEGFR2,Casein kinase 1d

>  <Form> (906)
free base

>  <CAS> (906)
793722-88-0

>  <URL> (906)
N/A

$$$$
WAY-637493
csChFnd80/06102009162D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 21  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  6  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20  9  1  0  0  0  0
 21 20  2  0  0  0  0
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 23 12  1  0  0  0  0
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 25 22  2  0  0  0  0
  4  8  1  0  0  0  0
 12 11  2  0  0  0  0
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 14 13  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (907)
970

>  <Formula> (907)
C18H14N4O3

>  <MolWeight> (907)
334.32876

>  <Cat> (907)
P3492

>  <Name> (907)
WAY-637493

>  <Synonyms> (907)
N/A

>  <Target> (907)
Fyn

>  <Form> (907)
free base

>  <CAS> (907)
791600-64-1

>  <URL> (907)
N/A

$$$$
WAY-637845
csChFnd80/06102009162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (908)
971

>  <Formula> (908)
C10H10INO

>  <MolWeight> (908)
287.09697

>  <Cat> (908)
P3493

>  <Name> (908)
WAY-637845

>  <Synonyms> (908)
N/A

>  <Target> (908)
others

>  <Form> (908)
free base

>  <CAS> (908)
794539-14-3

>  <URL> (908)
N/A

$$$$
WAY-655860
csChFnd80/06102009162D

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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (909)
972

>  <Formula> (909)
C13H11N3S

>  <MolWeight> (909)
241.31154

>  <Cat> (909)
P3520

>  <Name> (909)
WAY-655860

>  <Synonyms> (909)
N/A

>  <Target> (909)
B-Raf

>  <Form> (909)
free base

>  <CAS> (909)
63895-45-4

>  <URL> (909)
N/A

$$$$
WAY-655978
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (910)
973

>  <Formula> (910)
C16H12ClN3OS

>  <MolWeight> (910)
329.80398

>  <Cat> (910)
P3521

>  <Name> (910)
WAY-655978

>  <Synonyms> (910)
N/A

>  <Target> (910)
ROCK, ERK, GSK, and AGC

>  <Form> (910)
free base

>  <CAS> (910)
692869-98-0

>  <URL> (910)
N/A

$$$$
WAY-656283
csChFnd80/06102009162D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (911)
974

>  <Formula> (911)
C12H11NO3S

>  <MolWeight> (911)
249.28564

>  <Cat> (911)
P3522

>  <Name> (911)
WAY-656283

>  <Synonyms> (911)
N/A

>  <Target> (911)
p38

>  <Form> (911)
free base

>  <CAS> (911)
263270-62-8

>  <URL> (911)
N/A

$$$$
WAY-656935
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  6  2  0  0  0  0
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 13  8  2  0  0  0  0
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 15 18  2  0  0  0  0
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 17  8  1  0  0  0  0
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M  END
>  <Mol_ID> (912)
975

>  <Formula> (912)
C17H15N3O2S

>  <MolWeight> (912)
325.3849

>  <Cat> (912)
P3523

>  <Name> (912)
WAY-656935

>  <Synonyms> (912)
N/A

>  <Target> (912)
 ROCK, ERK, GSK, and AGC 

>  <Form> (912)
free base

>  <CAS> (912)
852902-81-9

>  <URL> (912)
N/A

$$$$
WAY-657460
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10 18  1  0  0  0  0
 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (913)
976

>  <Formula> (913)
C17H15N3O2S

>  <MolWeight> (913)
325.3849

>  <Cat> (913)
P3524

>  <Name> (913)
WAY-657460

>  <Synonyms> (913)
N/A

>  <Target> (913)
 ROCK, ERK, GSK, and AGC 

>  <Form> (913)
free base

>  <CAS> (913)
853325-19-6

>  <URL> (913)
N/A

$$$$
WAY-323534
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (914)
977

>  <Formula> (914)
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>  <MolWeight> (914)
349.81354

>  <Cat> (914)
P3339

>  <Name> (914)
WAY-323534

>  <Synonyms> (914)
N/A

>  <Target> (914)
PASK

>  <Form> (914)
free base

>  <CAS> (914)
854040-96-3

>  <URL> (914)
N/A

$$$$
WAY-323878-A
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (915)
978

>  <Formula> (915)
C16H14N2O

>  <MolWeight> (915)
250.29516

>  <Cat> (915)
P3340

>  <Name> (915)
WAY-323878-A

>  <Synonyms> (915)
N/A

>  <Target> (915)
CDK

>  <Form> (915)
free base

>  <CAS> (915)
1185726-51-5

>  <URL> (915)
N/A

$$$$
WAY-323879
csChFnd80/06102009162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (916)
979

>  <Formula> (916)
C15H14N2O

>  <MolWeight> (916)
238.28446

>  <Cat> (916)
P3341

>  <Name> (916)
WAY-323879

>  <Synonyms> (916)
N/A

>  <Target> (916)
CDK

>  <Form> (916)
free base

>  <CAS> (916)
685097-43-2

>  <URL> (916)
N/A

$$$$
WAY-324418
csChFnd80/06102009162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (917)
980

>  <Formula> (917)
C11H10N4O2S

>  <MolWeight> (917)
262.2877

>  <Cat> (917)
P3342

>  <Name> (917)
WAY-324418

>  <Synonyms> (917)
N/A

>  <Target> (917)
Anti-infection

>  <Form> (917)
free base

>  <CAS> (917)
681838-49-3

>  <URL> (917)
N/A

$$$$
WAY-324420
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (918)
981

>  <Formula> (918)
C12H12N4O2S

>  <MolWeight> (918)
276.31428

>  <Cat> (918)
P3343

>  <Name> (918)
WAY-324420

>  <Synonyms> (918)
N/A

>  <Target> (918)
Anti-infection

>  <Form> (918)
free base

>  <CAS> (918)
681838-50-6

>  <URL> (918)
N/A

$$$$
WAY-324709
csChFnd80/06102009162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
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 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (919)
982

>  <Formula> (919)
C15H9FN2O3

>  <MolWeight> (919)
284.2419632

>  <Cat> (919)
P3344

>  <Name> (919)
WAY-324709

>  <Synonyms> (919)
N/A

>  <Target> (919)
ATP-kinase

>  <Form> (919)
free base

>  <CAS> (919)
69785-85-9

>  <URL> (919)
N/A

$$$$
WAY-325065
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (920)
983

>  <Formula> (920)
C16H17N7S

>  <MolWeight> (920)
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>  <Cat> (920)
P3345

>  <Name> (920)
WAY-325065

>  <Synonyms> (920)
N/A

>  <Target> (920)
MtSk

>  <Form> (920)
free base

>  <CAS> (920)
689762-76-3

>  <URL> (920)
N/A

$$$$
WAY-325185
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (921)
984

>  <Formula> (921)
C17H21N5O3

>  <MolWeight> (921)
343.38034

>  <Cat> (921)
P3346

>  <Name> (921)
WAY-325185

>  <Synonyms> (921)
N/A

>  <Target> (921)
VEGFR

>  <Form> (921)
free base

>  <CAS> (921)
342785-98-2

>  <URL> (921)
N/A

$$$$
WAY-606344
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (922)
985

>  <Formula> (922)
C14H8ClN3O2

>  <MolWeight> (922)
285.68522

>  <Cat> (922)
P3437

>  <Name> (922)
WAY-606344

>  <Synonyms> (922)
N/A

>  <Target> (922)
Casein kinase 1d

>  <Form> (922)
free base

>  <CAS> (922)
380423-28-9

>  <URL> (922)
N/A

$$$$
WAY-606954
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (923)
986

>  <Formula> (923)
C18H20N4O

>  <MolWeight> (923)
308.3776

>  <Cat> (923)
P3438

>  <Name> (923)
WAY-606954

>  <Synonyms> (923)
N/A

>  <Target> (923)
GSK3

>  <Form> (923)
free base

>  <CAS> (923)
748145-12-2

>  <URL> (923)
N/A

$$$$
WAY-606956
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
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M  END
>  <Mol_ID> (924)
987

>  <Formula> (924)
C18H20N4O

>  <MolWeight> (924)
308.3776

>  <Cat> (924)
P3439

>  <Name> (924)
WAY-606956

>  <Synonyms> (924)
N/A

>  <Target> (924)
GSK3

>  <Form> (924)
free base

>  <CAS> (924)
748145-19-9

>  <URL> (924)
N/A

$$$$
WAY-606957
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (925)
988

>  <Formula> (925)
C18H20N4O

>  <MolWeight> (925)
308.3776

>  <Cat> (925)
P3440

>  <Name> (925)
WAY-606957

>  <Synonyms> (925)
N/A

>  <Target> (925)
GSK3

>  <Form> (925)
free base

>  <CAS> (925)
1062138-03-7

>  <URL> (925)
N/A

$$$$
WAY-606958
csChFnd80/06102009162D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 29 27  1  0  0  0  0
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M  END
>  <Mol_ID> (926)
989

>  <Formula> (926)
C23H23N5O

>  <MolWeight> (926)
385.46162

>  <Cat> (926)
P3441

>  <Name> (926)
WAY-606958

>  <Synonyms> (926)
N/A

>  <Target> (926)
Casein kinase 1¦Ä

>  <Form> (926)
free base

>  <CAS> (926)
882220-11-3

>  <URL> (926)
N/A

$$$$
WAY-297342
csChFnd80/06102009162D

 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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  4 10  2  0  0  0  0
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  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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 12 14  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (927)
990

>  <Formula> (927)
C15H15N3O2S

>  <MolWeight> (927)
301.3635

>  <Cat> (927)
P3298

>  <Name> (927)
WAY-297342

>  <Synonyms> (927)
N/A

>  <Target> (927)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (927)
free base

>  <CAS> (927)
298207-49-5

>  <URL> (927)
N/A

$$$$
WAY-297629
csChFnd80/06102009162D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (928)
991

>  <Formula> (928)
C21H18N2O3

>  <MolWeight> (928)
346.37922

>  <Cat> (928)
P3299

>  <Name> (928)
WAY-297629

>  <Synonyms> (928)
N/A

>  <Target> (928)
VEGFR2

>  <Form> (928)
free base

>  <CAS> (928)
371213-22-8

>  <URL> (928)
N/A

$$$$
GI-569525
csChFnd80/06102009162D

 24 26  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
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  4 10  2  0  0  0  0
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  8 13  1  0  0  0  0
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 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
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 22 24  1  0  0  0  0
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 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (929)
992

>  <Formula> (929)
C18H17NO4S

>  <MolWeight> (929)
343.39688

>  <Cat> (929)
P3260

>  <Name> (929)
GI-569525

>  <Synonyms> (929)
N/A

>  <Target> (929)
Anti-infection

>  <Form> (929)
free base

>  <CAS> (929)
96334-43-9

>  <URL> (929)
N/A

$$$$
WAY-298041
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
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  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (930)
993

>  <Formula> (930)
C17H15N3O2

>  <MolWeight> (930)
293.3199

>  <Cat> (930)
P3300

>  <Name> (930)
WAY-298041

>  <Synonyms> (930)
N/A

>  <Target> (930)
c-Met

>  <Form> (930)
free base

>  <CAS> (930)
299405-67-7

>  <URL> (930)
N/A

$$$$
WAY-298350
csChFnd80/06102009162D

 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
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   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7420   -6.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (931)
994

>  <Formula> (931)
C17H17NO3

>  <MolWeight> (931)
283.32178

>  <Cat> (931)
P3301

>  <Name> (931)
WAY-298350

>  <Synonyms> (931)
N/A

>  <Target> (931)
A kinase anchor protein/protein kinase A int

>  <Form> (931)
free base

>  <CAS> (931)
304888-67-3

>  <URL> (931)
N/A

$$$$
WAY-298516
csChFnd80/06102009162D

 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
    1.9262    1.2942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703    0.4838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3193   -0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5331    2.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -0.7232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779   -1.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -1.4507    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0848    1.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0634   -1.0576    0.0000 C   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> (932)
995

>  <Formula> (932)
C14H13ClN2O3

>  <MolWeight> (932)
292.71762

>  <Cat> (932)
P3302

>  <Name> (932)
WAY-298516

>  <Synonyms> (932)
N/A

>  <Target> (932)
Androgen Receptor,RAD51,GSK-3

>  <Form> (932)
free base

>  <CAS> (932)
103056-35-5

>  <URL> (932)
N/A

$$$$
WAY-298668
csChFnd80/06102009162D

 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
   -0.9483   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483    0.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5483   -0.8621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1483   -0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (933)
996

>  <Formula> (933)
C22H23N5O3

>  <MolWeight> (933)
405.44972

>  <Cat> (933)
P3303

>  <Name> (933)
WAY-298668

>  <Synonyms> (933)
N/A

>  <Target> (933)
Aurora-A,JAMM protease

>  <Form> (933)
free base

>  <CAS> (933)
371224-09-8

>  <URL> (933)
N/A

$$$$
WAY-607324
csChFnd80/06102009162D

 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
    0.6042    0.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    0.7875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4875    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9083    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750    1.0208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8958    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1875   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (934)
997

>  <Formula> (934)
C13H8N2O2S2

>  <MolWeight> (934)
288.34482

>  <Cat> (934)
P3442

>  <Name> (934)
WAY-607324

>  <Synonyms> (934)
N/A

>  <Target> (934)
Mcl-1,ASK1

>  <Form> (934)
free base

>  <CAS> (934)
1427537-92-5

>  <URL> (934)
N/A

$$$$
WAY-607500
csChFnd80/06102009162D

 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
    1.6542    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3917    1.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7833   -1.9625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8833   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  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  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> (935)
998

>  <Formula> (935)
C19H18N2O2

>  <MolWeight> (935)
306.35842

>  <Cat> (935)
P3443

>  <Name> (935)
WAY-607500

>  <Synonyms> (935)
N/A

>  <Target> (935)
VEGFR

>  <Form> (935)
free base

>  <CAS> (935)
186610-88-8

>  <URL> (935)
N/A

$$$$
WAY-607738
csChFnd80/06102009162D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.4167   -3.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (936)
999

>  <Formula> (936)
C22H18N4O6

>  <MolWeight> (936)
434.40152

>  <Cat> (936)
P3444

>  <Name> (936)
WAY-607738

>  <Synonyms> (936)
N/A

>  <Target> (936)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (936)
free base

>  <CAS> (936)
522624-94-8

>  <URL> (936)
N/A

$$$$
WAY-607777
csChFnd80/06102009162D

 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> (937)
1000

>  <Formula> (937)
C16H12ClN3O2S2

>  <MolWeight> (937)
377.86838

>  <Cat> (937)
P3445

>  <Name> (937)
WAY-607777

>  <Synonyms> (937)
N/A

>  <Target> (937)
Casein kinase 1d

>  <Form> (937)
free base

>  <CAS> (937)
522626-08-0

>  <URL> (937)
N/A

$$$$
WAY-619275
csChFnd80/06102009162D

 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
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   -1.7000    0.6625    0.0000 N   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  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> (938)
1001

>  <Formula> (938)
C12H11N5O

>  <MolWeight> (938)
241.24864

>  <Cat> (938)
P3457

>  <Name> (938)
WAY-619275

>  <Synonyms> (938)
N/A

>  <Target> (938)
Plk1 kinase,EphB2

>  <Form> (938)
free base

>  <CAS> (938)
73663-97-5

>  <URL> (938)
N/A

$$$$
WAY-619999
csChFnd80/06102009162D

 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
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   -3.0000    0.5750    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
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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> (939)
1002

>  <Formula> (939)
C22H19Cl2N3O4

>  <MolWeight> (939)
460.30996

>  <Cat> (939)
P3458

>  <Name> (939)
WAY-619999

>  <Synonyms> (939)
N/A

>  <Target> (939)
CK2,GSK3¦Â

>  <Form> (939)
free base

>  <CAS> (939)
736932-33-5

>  <URL> (939)
N/A

$$$$
WAY-620099
csChFnd80/06102009162D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.5875    0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5083    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  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> (940)
1003

>  <Formula> (940)
C15H12ClN3S

>  <MolWeight> (940)
301.79388

>  <Cat> (940)
P3459

>  <Name> (940)
WAY-620099

>  <Synonyms> (940)
N/A

>  <Target> (940)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (940)
free base

>  <CAS> (940)
128277-24-7

>  <URL> (940)
N/A

$$$$
WAY-620147
csChFnd80/06102009162D

 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
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  7  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
  2  3  1  0  0  0  0
  9 10  1  0  0  0  0
  5  6  2  0  0  0  0
 10 11  1  0  0  0  0
  6  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  2  2  0  0  0  0
  1  7  1  0  0  0  0
  3  4  2  0  0  0  0
 12 17  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
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (941)
1004

>  <Formula> (941)
C12H16BrN3O2

>  <MolWeight> (941)
314.17834

>  <Cat> (941)
P3460

>  <Name> (941)
WAY-620147

>  <Synonyms> (941)
N/A

>  <Target> (941)
monoamine oxidase a

>  <Form> (941)
free base

>  <CAS> (941)
515866-67-8

>  <URL> (941)
N/A

$$$$
WAY-638641
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    2.2167   -1.6500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8042   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1917   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2333    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2333    2.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250   -1.9292    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  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10 21  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15  8  1  0  0  0  0
 16 20  1  0  0  0  0
 17 22  2  0  0  0  0
 18  4  1  0  0  0  0
 19  8  2  0  0  0  0
 20  4  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
 24 22  1  0  0  0  0
 25 18  1  0  0  0  0
  4  5  1  0  0  0  0
 16 25  1  0  0  0  0
 10  7  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (942)
1005

>  <Formula> (942)
C16H17N3O5S

>  <MolWeight> (942)
363.38828

>  <Cat> (942)
P3494

>  <Name> (942)
WAY-638641

>  <Synonyms> (942)
N/A

>  <Target> (942)
Aurora kinase A

>  <Form> (942)
free base

>  <CAS> (942)
796068-62-7

>  <URL> (942)
N/A

$$$$
WAY-638796
csChFnd80/06102009162D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.4500    0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6000   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7208    1.0458    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  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 15  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
  8  9  2  0  0  0  0
  5  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (943)
1006

>  <Formula> (943)
C14H10ClN3S

>  <MolWeight> (943)
287.7673

>  <Cat> (943)
P3495

>  <Name> (943)
WAY-638796

>  <Synonyms> (943)
N/A

>  <Target> (943)
tyrosine kinase

>  <Form> (943)
free base

>  <CAS> (943)
796067-64-6

>  <URL> (943)
N/A

$$$$
WAY-639405
csChFnd80/06102009162D

 28 32  0  0  0  0  0  0  0  0999 V2000
    0.9917    1.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.8583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7792    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1458    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    2.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    3.3333    0.0000 C   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  6  1  0  0  0  0
  6  4  2  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  3  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 20  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 28  1  0  0  0  0
 28 26  2  0  0  0  0
  8  9  2  0  0  0  0
  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> (944)
1007

>  <Formula> (944)
C21H18N4O2S

>  <MolWeight> (944)
390.45822

>  <Cat> (944)
P3496

>  <Name> (944)
WAY-639405

>  <Synonyms> (944)
N/A

>  <Target> (944)
tyrosine kinase,phosphodiesterase V

>  <Form> (944)
free base

>  <CAS> (944)
796052-04-5

>  <URL> (944)
N/A

$$$$
WAY-658341
csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.7542    0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5750    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7958    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9958    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8250   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7333    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -0.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4750   -2.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9  1  1  0  0  0  0
 10 12  2  0  0  0  0
 11  3  1  0  0  0  0
 12 16  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  2  0  0  0  0
 15  9  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  2  0  0  0  0
 25 19  2  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  4  6  1  0  0  0  0
 28 22  2  0  0  0  0
  3  7  2  0  0  0  0
 27 21  2  0  0  0  0
M  END
>  <Mol_ID> (945)
1008

>  <Formula> (945)
C18H15BrN6O2S

>  <MolWeight> (945)
459.3197

>  <Cat> (945)
P3525

>  <Name> (945)
WAY-658341

>  <Synonyms> (945)
N/A

>  <Target> (945)
Casein kinase 1d

>  <Form> (945)
free base

>  <CAS> (945)
849012-74-4

>  <URL> (945)
N/A

$$$$
WAY-658513
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (946)
1009

>  <Formula> (946)
C16H11ClFN3OS

>  <MolWeight> (946)
347.7944432

>  <Cat> (946)
P3526

>  <Name> (946)
WAY-658513

>  <Synonyms> (946)
N/A

>  <Target> (946)
ROCK, ERK, GSK, and AGC

>  <Form> (946)
free base

>  <CAS> (946)
692870-25-0

>  <URL> (946)
N/A

$$$$
WAY-326250
csChFnd80/06102009162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
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 22 18  1  0  0  0  0
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M  END
>  <Mol_ID> (947)
1010

>  <Formula> (947)
C15H13N5OS

>  <MolWeight> (947)
311.36162

>  <Cat> (947)
P3351

>  <Name> (947)
WAY-326250

>  <Synonyms> (947)
N/A

>  <Target> (947)
shikimate kinase

>  <Form> (947)
free base

>  <CAS> (947)
869872-13-9

>  <URL> (947)
N/A

$$$$
WAY-326542
csChFnd80/06102009162D

 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
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  5  7  1  0  0  0  0
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 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
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 13  9  1  0  0  0  0
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 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
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  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> (948)
1011

>  <Formula> (948)
C16H15NO3S

>  <MolWeight> (948)
301.3602

>  <Cat> (948)
P3352

>  <Name> (948)
WAY-326542

>  <Synonyms> (948)
N/A

>  <Target> (948)
CDK5/p25

>  <Form> (948)
free base

>  <CAS> (948)
870983-04-3

>  <URL> (948)
N/A

$$$$
WAY-326578
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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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
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 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (949)
1012

>  <Formula> (949)
C16H16N2O3S

>  <MolWeight> (949)
316.37484

>  <Cat> (949)
P3353

>  <Name> (949)
WAY-326578

>  <Synonyms> (949)
N/A

>  <Target> (949)
GSK-3b

>  <Form> (949)
free base

>  <CAS> (949)
870984-34-2

>  <URL> (949)
N/A

$$$$
WAY-326890
csChFnd80/06102009162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 11  1  2  0  0  0  0
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 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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 18  6  1  0  0  0  0
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M  END
>  <Mol_ID> (950)
1013

>  <Formula> (950)
C17H17N3O3S2

>  <MolWeight> (950)
375.46518

>  <Cat> (950)
P3354

>  <Name> (950)
WAY-326890

>  <Synonyms> (950)
N/A

>  <Target> (950)
Others

>  <Form> (950)
free base

>  <CAS> (950)
685865-67-2

>  <URL> (950)
N/A

$$$$
WAY-326891
csChFnd80/06102009162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 12  1  2  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  2  0  0  0  0
 18 10  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  2  0  0  0  0
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 24 21  2  0  0  0  0
 25 24  1  0  0  0  0
 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (951)
1014

>  <Formula> (951)
C17H17N3O3S2

>  <MolWeight> (951)
375.46518

>  <Cat> (951)
P3355

>  <Name> (951)
WAY-326891

>  <Synonyms> (951)
N/A

>  <Target> (951)
kinase

>  <Form> (951)
free base

>  <CAS> (951)
685865-71-8

>  <URL> (951)
N/A

$$$$
WAY-326892
csChFnd80/06102009162D

 25 27  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  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18  9  2  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 24  1  0  0  0  0
 17  6  1  0  0  0  0
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 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (952)
1015

>  <Formula> (952)
C17H17N3O3S2

>  <MolWeight> (952)
375.46518

>  <Cat> (952)
P3356

>  <Name> (952)
WAY-326892

>  <Synonyms> (952)
N/A

>  <Target> (952)
kinase

>  <Form> (952)
free base

>  <CAS> (952)
685865-72-9

>  <URL> (952)
N/A

$$$$
WAY-326893
csChFnd80/06102009162D

 25 27  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  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8 11  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 16 14  2  0  0  0  0
 17  8  2  0  0  0  0
 18 15  1  0  0  0  0
 19 23  1  0  0  0  0
 20 18  2  0  0  0  0
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 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 16  6  1  0  0  0  0
  7  5  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (953)
1016

>  <Formula> (953)
C17H17N3O3S2

>  <MolWeight> (953)
375.46518

>  <Cat> (953)
P3357

>  <Name> (953)
WAY-326893

>  <Synonyms> (953)
N/A

>  <Target> (953)
Others

>  <Form> (953)
free base

>  <CAS> (953)
685865-73-0

>  <URL> (953)
N/A

$$$$
WAY-326894
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  2  0  0  0  0
 13  3  2  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19  8  2  0  0  0  0
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 16  6  1  0  0  0  0
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 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (954)
1017

>  <Formula> (954)
C15H12FN3O3S2

>  <MolWeight> (954)
365.4024832

>  <Cat> (954)
P3358

>  <Name> (954)
WAY-326894

>  <Synonyms> (954)
N/A

>  <Target> (954)
kinase

>  <Form> (954)
free base

>  <CAS> (954)
685865-75-2

>  <URL> (954)
N/A

$$$$
WAY-327480
csChFnd80/06102009162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  6  1  0  0  0  0
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 15  6  2  0  0  0  0
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 30 27  1  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (955)
1018

>  <Formula> (955)
C22H19N3O3S2

>  <MolWeight> (955)
437.53456

>  <Cat> (955)
P3359

>  <Name> (955)
WAY-327480

>  <Synonyms> (955)
N/A

>  <Target> (955)
ROS

>  <Form> (955)
free base

>  <CAS> (955)
687576-28-9

>  <URL> (955)
N/A

$$$$
WAY-328158
csChFnd80/06102009162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3 10  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  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
 14 11  1  0  0  0  0
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 17 14  2  0  0  0  0
 18 14  1  0  0  0  0
 19 13  1  0  0  0  0
 20 22  1  0  0  0  0
 21  5  1  0  0  0  0
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 25 20  1  0  0  0  0
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  5  9  2  0  0  0  0
 27 26  1  0  0  0  0
 12 11  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (956)
1019

>  <Formula> (956)
C19H16FN3O3S

>  <MolWeight> (956)
385.4120432

>  <Cat> (956)
P3360

>  <Name> (956)
WAY-328158

>  <Synonyms> (956)
N/A

>  <Target> (956)
BCR-ABL

>  <Form> (956)
free base

>  <CAS> (956)
688050-42-2

>  <URL> (956)
N/A

$$$$
WAY-621129
csChFnd80/06102009162D

 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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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
  8 12  1  0  0  0  0
 11 15  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (957)
1020

>  <Formula> (957)
C16H12O4

>  <MolWeight> (957)
268.26408

>  <Cat> (957)
P3461

>  <Name> (957)
WAY-621129

>  <Synonyms> (957)
N/A

>  <Target> (957)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (957)
free base

>  <CAS> (957)
6889-78-7

>  <URL> (957)
N/A

$$$$
WAY-621555
csChFnd80/06102009162D

 27 31  0  0  0  0  0  0  0  0999 V2000
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  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  5  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18 12  2  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  2  0  0  0  0
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 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 19  1  0  0  0  0
  9  4  2  0  0  0  0
 10  8  2  0  0  0  0
 21 26  2  0  0  0  0
 27 20  1  0  0  0  0
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M  END
>  <Mol_ID> (958)
1021

>  <Formula> (958)
C22H21N5

>  <MolWeight> (958)
355.43564

>  <Cat> (958)
P3462

>  <Name> (958)
WAY-621555

>  <Synonyms> (958)
N/A

>  <Target> (958)
Casein kinase 1¦Ä

>  <Form> (958)
free base

>  <CAS> (958)
956753-89-2

>  <URL> (958)
N/A

$$$$
WAY-621640
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  2  6  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6 13  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 12  2  0  0  0  0
 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 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
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
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 22 18  2  0  0  0  0
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 15 20  1  0  0  0  0
 21 23  2  0  0  0  0
  3  7  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (959)
1022

>  <Formula> (959)
C17H15N3O2S

>  <MolWeight> (959)
325.3849

>  <Cat> (959)
P3463

>  <Name> (959)
WAY-621640

>  <Synonyms> (959)
N/A

>  <Target> (959)
Casein kinase 1¦Ä

>  <Form> (959)
free base

>  <CAS> (959)
742113-71-9

>  <URL> (959)
N/A

$$$$
WAY-621856
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
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 12  9  1  0  0  0  0
 13  5  2  0  0  0  0
 14  9  2  0  0  0  0
 15  7  1  0  0  0  0
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 18 22  1  0  0  0  0
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 21 18  2  0  0  0  0
 11 19  1  0  0  0  0
M  END
>  <Mol_ID> (960)
1023

>  <Formula> (960)
C16H9N5O3S

>  <MolWeight> (960)
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WAY-621856

>  <Synonyms> (960)
N/A

>  <Target> (960)
FGFR

>  <Form> (960)
free base

>  <CAS> (960)
606958-57-0

>  <URL> (960)
N/A

$$$$
WAY-639932
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (961)
1024

>  <Formula> (961)
C17H12N4S2

>  <MolWeight> (961)
336.43398

>  <Cat> (961)
P3497

>  <Name> (961)
WAY-639932

>  <Synonyms> (961)
N/A

>  <Target> (961)
Casein kinase 1¦Ä

>  <Form> (961)
free base

>  <CAS> (961)
851467-69-1

>  <URL> (961)
N/A

$$$$
WAY-660114
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15 10  1  0  0  0  0
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 17 15  1  0  0  0  0
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 19  2  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 20  1  0  0  0  0
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 14 12  2  0  0  0  0
 10 11  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (962)
1025

>  <Formula> (962)
C14H9FN6S2

>  <MolWeight> (962)
344.3898632

>  <Cat> (962)
P3527

>  <Name> (962)
WAY-660114

>  <Synonyms> (962)
N/A

>  <Target> (962)
kinase

>  <Form> (962)
free base

>  <CAS> (962)
871317-00-9

>  <URL> (962)
N/A

$$$$
WAY-660222
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12  5  1  0  0  0  0
 13  9  1  0  0  0  0
 14  1  1  0  0  0  0
 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
 17 10  1  0  0  0  0
 18 14  2  0  0  0  0
 19 15  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 20 16  2  0  0  0  0
 10  6  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (963)
1026

>  <Formula> (963)
C19H13FO

>  <MolWeight> (963)
276.3043232

>  <Cat> (963)
P3528

>  <Name> (963)
WAY-660222

>  <Synonyms> (963)
N/A

>  <Target> (963)
EGFR

>  <Form> (963)
free base

>  <CAS> (963)
867294-23-3

>  <URL> (963)
N/A

$$$$
WAY-660667
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  0  0  0  0
 19 22  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
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 23 21  1  0  0  0  0
 24 20  2  0  0  0  0
 25 23  2  0  0  0  0
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  6  8  1  0  0  0  0
 11 10  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (964)
1027

>  <Formula> (964)
C17H17N5O3

>  <MolWeight> (964)
339.34858

>  <Cat> (964)
P3529

>  <Name> (964)
WAY-660667

>  <Synonyms> (964)
N/A

>  <Target> (964)
ROS

>  <Form> (964)
free base

>  <CAS> (964)
871218-26-7

>  <URL> (964)
N/A

$$$$
WAY-661516
csChFnd80/06102009162D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  7 10  1  0  0  0  0
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 10 20  1  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  2  0  0  0  0
 16 11  2  0  0  0  0
 17  8  1  0  0  0  0
 18 11  1  0  0  0  0
 19 22  1  0  0  0  0
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 21  9  1  0  0  0  0
 22 17  2  0  0  0  0
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 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
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 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (965)
1028

>  <Formula> (965)
C15H15ClFN3O5

>  <MolWeight> (965)
371.7481032

>  <Cat> (965)
P3530

>  <Name> (965)
WAY-661516

>  <Synonyms> (965)
N/A

>  <Target> (965)
Aurora kinase A

>  <Form> (965)
free base

>  <CAS> (965)
875163-98-7

>  <URL> (965)
N/A

$$$$
CL-230482
csChFnd80/06102009162D

 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
    0.1314    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2107   -0.4895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (966)
1029

>  <Formula> (966)
C15H12N2O

>  <MolWeight> (966)
236.26858

>  <Cat> (966)
P3255

>  <Name> (966)
CL-230482

>  <Synonyms> (966)
N/A

>  <Target> (966)
PDGFR

>  <Form> (966)
free base

>  <CAS> (966)
909859-35-4

>  <URL> (966)
N/A

$$$$
WYE-163716-A
csChFnd80/06102009162D

 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
   -0.9404    0.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8852   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0424    0.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (967)
1030

>  <Formula> (967)
C15H14N4O2S2

>  <MolWeight> (967)
346.42726

>  <Cat> (967)
P3533

>  <Name> (967)
WYE-163716-A

>  <Synonyms> (967)
N/A

>  <Target> (967)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (967)
free base

>  <CAS> (967)
92902-64-2

>  <URL> (967)
N/A

$$$$
WYE-175765
csChFnd80/06102009162D

 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> (968)
1031

>  <Formula> (968)
C14H13NO6S

>  <MolWeight> (968)
323.32112

>  <Cat> (968)
P3534

>  <Name> (968)
WYE-175765

>  <Synonyms> (968)
N/A

>  <Target> (968)
JAK3,YopH,antibacterial

>  <Form> (968)
free base

>  <CAS> (968)
956236-35-4

>  <URL> (968)
N/A

$$$$
WYE-175829
csChFnd80/06102009162D

 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
    1.7667   -1.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917    1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    2.4792   -1.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (969)
1032

>  <Formula> (969)
C13H14N2O3S

>  <MolWeight> (969)
278.32686

>  <Cat> (969)
P3535

>  <Name> (969)
WYE-175829

>  <Synonyms> (969)
N/A

>  <Target> (969)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (969)
free base

>  <CAS> (969)
327093-01-6

>  <URL> (969)
N/A

$$$$
WYE-175837
csChFnd80/06102009162D

 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
    0.3651   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3651   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6452   -0.5345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -2.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3755   -2.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    0.3651    1.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (970)
1033

>  <Formula> (970)
C14H14N2O2

>  <MolWeight> (970)
242.27316

>  <Cat> (970)
P3536

>  <Name> (970)
WYE-175837

>  <Synonyms> (970)
N/A

>  <Target> (970)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (970)
free base

>  <CAS> (970)
891-35-0

>  <URL> (970)
N/A

$$$$
WYE-175840
csChFnd80/06102009162D

 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
    0.8167   -0.8458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.2083    0.0000 C   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
   -0.1083   -2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2500    2.9375    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  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
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 10  9  1  0  0  0  0
 11  2  2  0  0  0  0
 12  5  2  0  0  0  0
 13  5  2  0  0  0  0
 14  4  1  0  0  0  0
 15 10  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
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 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (971)
1034

>  <Formula> (971)
C17H19N5O3S

>  <MolWeight> (971)
373.42946

>  <Cat> (971)
P3537

>  <Name> (971)
WYE-175840

>  <Synonyms> (971)
N/A

>  <Target> (971)
Glutamate Racemase,protein kinase-activated 

>  <Form> (971)
free base

>  <CAS> (971)
380432-29-1

>  <URL> (971)
N/A

$$$$
WYE-176092
csChFnd80/06102009162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  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
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  8 13  2  0  0  0  0
 11 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
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (972)
1035

>  <Formula> (972)
C12H14N2O2S2

>  <MolWeight> (972)
282.38176

>  <Cat> (972)
P3538

>  <Name> (972)
WYE-176092

>  <Synonyms> (972)
N/A

>  <Target> (972)
Anti-infection

>  <Form> (972)
free base

>  <CAS> (972)
121746-06-3

>  <URL> (972)
N/A

$$$$
WAY-333491
csChFnd80/06102009162D

 25 28  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  7  1  0  0  0  0
 13  7  1  0  0  0  0
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 15  9  2  0  0  0  0
 16 11  2  0  0  0  0
 17 11  1  0  0  0  0
 18 17  2  0  0  0  0
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 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
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 12 10  2  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (973)
1036

>  <Formula> (973)
C18H19N5OS

>  <MolWeight> (973)
353.44136

>  <Cat> (973)
P3379

>  <Name> (973)
WAY-333491

>  <Synonyms> (973)
N/A

>  <Target> (973)
LRRK2

>  <Form> (973)
free base

>  <CAS> (973)
852375-30-5

>  <URL> (973)
N/A

$$$$
WAY-333434
csChFnd80/06102009162D

 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
 14 13  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  9  2  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 20  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
>  <Mol_ID> (974)
1037

>  <Formula> (974)
C19H20FN5OS

>  <MolWeight> (974)
385.4584032

>  <Cat> (974)
P3378

>  <Name> (974)
WAY-333434

>  <Synonyms> (974)
N/A

>  <Target> (974)
Others

>  <Form> (974)
free base

>  <CAS> (974)
721964-45-0

>  <URL> (974)
N/A

$$$$
WAY-662864
csChFnd80/06102009162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 10  1  1  0  0  0  0
 11  3  2  0  0  0  0
 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
 16  7  2  0  0  0  0
 17  9  2  0  0  0  0
 18 21  1  0  0  0  0
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 20 15  1  0  0  0  0
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 22  9  1  0  0  0  0
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  5  4  1  0  0  0  0
 23 25  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
>  <Mol_ID> (975)
1038

>  <Formula> (975)
C15H22N4O5S

>  <MolWeight> (975)
370.42398

>  <Cat> (975)
P3531

>  <Name> (975)
WAY-662864

>  <Synonyms> (975)
N/A

>  <Target> (975)
UMPK

>  <Form> (975)
free base

>  <CAS> (975)
1621866-83-8

>  <URL> (975)
N/A

$$$$
WAY-278752
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (976)
1039

>  <Formula> (976)
C14H7Cl2NO3S

>  <MolWeight> (976)
340.18128

>  <Cat> (976)
P3295

>  <Name> (976)
WAY-278752

>  <Synonyms> (976)
N/A

>  <Target> (976)
IGF1R

>  <Form> (976)
free base

>  <CAS> (976)
331652-38-1

>  <URL> (976)
N/A

$$$$
WAY-329594
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (977)
1040

>  <Formula> (977)
C14H10BrN3O3S2

>  <MolWeight> (977)
412.2815

>  <Cat> (977)
P3369

>  <Name> (977)
WAY-329594

>  <Synonyms> (977)
N/A

>  <Target> (977)
others

>  <Form> (977)
free base

>  <CAS> (977)
956910-37-5

>  <URL> (977)
N/A

$$$$
WAY-329599
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (978)
1041

>  <Formula> (978)
C14H10FN3O3S2

>  <MolWeight> (978)
351.3759032

>  <Cat> (978)
P3371

>  <Name> (978)
WAY-329599

>  <Synonyms> (978)
N/A

>  <Target> (978)
others

>  <Form> (978)
free base

>  <CAS> (978)
956910-38-6

>  <URL> (978)
N/A

$$$$
WAY-329603
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 15  1  2  0  0  0  0
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M  END
>  <Mol_ID> (979)
1042

>  <Formula> (979)
C15H12ClN3O3S2

>  <MolWeight> (979)
381.85708

>  <Cat> (979)
P3372

>  <Name> (979)
WAY-329603

>  <Synonyms> (979)
N/A

>  <Target> (979)
others

>  <Form> (979)
free base

>  <CAS> (979)
956910-39-7

>  <URL> (979)
N/A

$$$$
WAY-329598
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (980)
1043

>  <Formula> (980)
C16H15N3O3S2

>  <MolWeight> (980)
361.4386

>  <Cat> (980)
P3370

>  <Name> (980)
WAY-329598

>  <Synonyms> (980)
N/A

>  <Target> (980)
others

>  <Form> (980)
free base

>  <CAS> (980)
956910-48-8

>  <URL> (980)
N/A

$$$$
WAY-329607
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (981)
1044

>  <Formula> (981)
C14H9ClFN3O3S2

>  <MolWeight> (981)
385.8209632

>  <Cat> (981)
P3373

>  <Name> (981)
WAY-329607

>  <Synonyms> (981)
N/A

>  <Target> (981)
others

>  <Form> (981)
free base

>  <CAS> (981)
956920-91-5

>  <URL> (981)
N/A

$$$$
WAY-278535
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (982)
1045

>  <Formula> (982)
C10H6ClNO2S

>  <MolWeight> (982)
239.67814

>  <Cat> (982)
P3293

>  <Name> (982)
WAY-278535

>  <Synonyms> (982)
N/A

>  <Target> (982)
Pim-1,Pim-2,PPAR

>  <Form> (982)
free base

>  <CAS> (982)
24138-83-8

>  <URL> (982)
N/A

$$$$
WAY-278534
csChFnd80/06102009162D

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  5  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  2  0  0  0  0
  8  4  2  0  0  0  0
  9  6  1  0  0  0  0
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 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
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 15 10  1  0  0  0  0
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  3  5  1  0  0  0  0
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M  END
>  <Mol_ID> (983)
1046

>  <Formula> (983)
C11H9NO3S

>  <MolWeight> (983)
235.25906

>  <Cat> (983)
P3292

>  <Name> (983)
WAY-278534

>  <Synonyms> (983)
N/A

>  <Target> (983)
Pim-1,Pim-2

>  <Form> (983)
free base

>  <CAS> (983)
6320-51-0

>  <URL> (983)
N/A

$$$$
WAY-299369
csChFnd80/06102009162D

 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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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  7  9  2  0  0  0  0
 13 16  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (984)
1047

>  <Formula> (984)
C15H15ClN2O3

>  <MolWeight> (984)
306.7442

>  <Cat> (984)
P3304

>  <Name> (984)
WAY-299369

>  <Synonyms> (984)
N/A

>  <Target> (984)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (984)
free base

>  <CAS> (984)
1005078-45-4

>  <URL> (984)
N/A

$$$$
WAY-382818
csChFnd80/06102009162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  7  2  0  0  0  0
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 12  5  1  0  0  0  0
 13  7  1  0  0  0  0
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 15  4  2  0  0  0  0
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 18  3  1  0  0  0  0
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 21  9  1  0  0  0  0
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 24  2  1  0  0  0  0
 25 13  1  0  0  0  0
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 29 25  2  0  0  0  0
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 32 28  2  0  0  0  0
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  6  5  1  0  0  0  0
  8  9  2  0  0  0  0
 30 26  2  0  0  0  0
 33 31  2  0  0  0  0
M  END
>  <Mol_ID> (985)
1048

>  <Formula> (985)
C24H20N4O5

>  <MolWeight> (985)
444.4394

>  <Cat> (985)
P3418

>  <Name> (985)
WAY-382818

>  <Synonyms> (985)
N/A

>  <Target> (985)
mitogen-activated protein kinase phosphatase

>  <Form> (985)
free base

>  <CAS> (985)
1022922-35-5

>  <URL> (985)
N/A

$$$$
WAY-383270
csChFnd80/06102009162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
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  8 12  1  0  0  0  0
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 15  9  1  0  0  0  0
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 22  6  2  0  0  0  0
 23 10  1  0  0  0  0
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 17 20  1  0  0  0  0
  6  4  1  0  0  0  0
 22 27  1  0  0  0  0
 30 28  1  0  0  0  0
M  END
>  <Mol_ID> (986)
1049

>  <Formula> (986)
C23H24FN3O2S

>  <MolWeight> (986)
425.5189632

>  <Cat> (986)
P3419

>  <Name> (986)
WAY-383270

>  <Synonyms> (986)
N/A

>  <Target> (986)
Casein kinase 1¦Ä

>  <Form> (986)
free base

>  <CAS> (986)
1024284-84-1

>  <URL> (986)
N/A

$$$$
GI-566508
csChFnd80/06102009162D

 21 24  0  0  0  0  0  0  0  0999 V2000
    1.1175   -0.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865   -1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5865    0.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0348   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -0.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1175   -2.7968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348   -1.7140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8969    1.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7348    0.2446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9652   -3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175   -0.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2445    0.9343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -2.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9135    1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0445    1.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4445    2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7342    2.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1342    3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2652    3.7032    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  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  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  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  5  7  1  0  0  0  0
 10 13  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (987)
1050

>  <Formula> (987)
C17H17N3S

>  <MolWeight> (987)
295.40198

>  <Cat> (987)
P3259

>  <Name> (987)
GI-566508

>  <Synonyms> (987)
N/A

>  <Target> (987)
EGFR 

>  <Form> (987)
free base

>  <CAS> (987)
1164458-14-3

>  <URL> (987)
N/A

$$$$
WAY-107407
csChFnd80/06102009162D

 20 23  0  0  0  0  0  0  0  0999 V2000
   -0.7897    0.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3517    0.0621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3759    1.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3414   -0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9069    1.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9379   -0.9207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5138    0.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4897   -0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069    2.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724   -1.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2000    0.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3379    1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828    0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552    2.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3448    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 18 20  2  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (988)
1051

>  <Formula> (988)
C15H12N2O3

>  <MolWeight> (988)
268.26738

>  <Cat> (988)
P3262

>  <Name> (988)
WAY-107407

>  <Synonyms> (988)
N/A

>  <Target> (988)
PI3K

>  <Form> (988)
free base

>  <CAS> (988)
1164469-67-3

>  <URL> (988)
N/A

$$$$
WAY-114506
csChFnd80/06102009162D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8658    2.3405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859    2.4221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9475    4.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2547    4.6898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    2.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560    4.2087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7007    1.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2266    0.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334    3.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    6.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4500    5.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3177    0.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2345    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8946    7.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8241    6.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  7  2  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  3  1  0  0  0  0
 15  9  1  0  0  0  0
 16 10  1  0  0  0  0
 17 13  1  0  0  0  0
 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> (989)
1052

>  <Formula> (989)
C10H18N4O4

>  <MolWeight> (989)
258.27432

>  <Cat> (989)
P3265

>  <Name> (989)
WAY-114506

>  <Synonyms> (989)
N/A

>  <Target> (989)
amyloid beta

>  <Form> (989)
free base

>  <CAS> (989)
1164500-43-9

>  <URL> (989)
N/A

$$$$
WAY-221060-A
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
   10.3305   -6.3810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2415   -6.3810    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3750   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3960   -8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5085   -6.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1225   -4.7565    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4320   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4640   -8.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975   -6.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -3.1005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1225   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6630   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0340   -4.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0445   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990   -4.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305   -8.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -6.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645   -6.4130    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  1  1  0  0  0  0
  5  8  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
  5  7  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (990)
1053

>  <Formula> (990)
C17H25NO

>  <MolWeight> (990)
259.3865

>  <Cat> (990)
P3266

>  <Name> (990)
WAY-221060-A

>  <Synonyms> (990)
N/A

>  <Target> (990)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (990)
free base

>  <CAS> (990)
1351406-38-6

>  <URL> (990)
N/A

$$$$
WAY-240932
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8221    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117    0.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0772    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4531    2.2865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4331    0.3693    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2565   -1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4221   -0.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9703    1.6245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3634    3.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7366    0.6003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6607   -0.9341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1607    1.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5289   -1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6186    2.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5952   -0.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1607   -1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8573   -0.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9814   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262   -1.9169    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.7193   -1.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -2.3514    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
  5 11  2  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  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
  7 13  2  0  0  0  0
  9 14  2  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (991)
1054

>  <Formula> (991)
C15H11BrN2O2S

>  <MolWeight> (991)
363.22904

>  <Cat> (991)
P3269

>  <Name> (991)
WAY-240932

>  <Synonyms> (991)
N/A

>  <Target> (991)
serine/threonine kinase

>  <Form> (991)
free base

>  <CAS> (991)
326914-66-3

>  <URL> (991)
N/A

$$$$
WAY-299590
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0266   -0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924   -1.3128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924   -0.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -0.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -2.1798    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    1.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -0.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366    0.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924    0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266    0.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924    1.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0856   -2.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384    1.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4924    2.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6286   -1.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0384    2.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    1.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5844    2.2302    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
  2  4  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  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
 14 17  2  0  0  0  0
 18 10  2  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  2  0  0  0  0
 20 22  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (992)
1055

>  <Formula> (992)
C19H20FNO

>  <MolWeight> (992)
297.3666032

>  <Cat> (992)
P3305

>  <Name> (992)
WAY-299590

>  <Synonyms> (992)
N/A

>  <Target> (992)
InhA,p38a

>  <Form> (992)
free base

>  <CAS> (992)
260428-61-3

>  <URL> (992)
N/A

$$$$
WAY-300062
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  5  7  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (993)
1056

>  <Formula> (993)
C16H16N4O2S

>  <MolWeight> (993)
328.38884

>  <Cat> (993)
P3307

>  <Name> (993)
WAY-300062

>  <Synonyms> (993)
N/A

>  <Target> (993)
Anti-infection

>  <Form> (993)
free base

>  <CAS> (993)
330990-68-6

>  <URL> (993)
N/A

$$$$
WAY-299721
csChFnd80/06102009162D

 29 31  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  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
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 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
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 17 19  1  0  0  0  0
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 20 22  1  0  0  0  0
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 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> (994)
1057

>  <Formula> (994)
C18H15ClF3N5OS

>  <MolWeight> (994)
441.8578096

>  <Cat> (994)
P3306

>  <Name> (994)
WAY-299721

>  <Synonyms> (994)
N/A

>  <Target> (994)
SYK kinase

>  <Form> (994)
free base

>  <CAS> (994)
338427-78-4

>  <URL> (994)
N/A

$$$$
WAY-300385
csChFnd80/06102009162D

 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 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> (995)
1058

>  <Formula> (995)
C13H15N3O2S2

>  <MolWeight> (995)
309.4071

>  <Cat> (995)
P3308

>  <Name> (995)
WAY-300385

>  <Synonyms> (995)
N/A

>  <Target> (995)
Anti-infection

>  <Form> (995)
free base

>  <CAS> (995)
500188-71-6

>  <URL> (995)
N/A

$$$$
WAY-300442
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.4034    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 15  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> (996)
1059

>  <Formula> (996)
C18H11BrN2O4

>  <MolWeight> (996)
399.19494

>  <Cat> (996)
P3309

>  <Name> (996)
WAY-300442

>  <Synonyms> (996)
N/A

>  <Target> (996)
ATP-kinase

>  <Form> (996)
free base

>  <CAS> (996)
333773-08-3

>  <URL> (996)
N/A

$$$$
WAY-384934
csChFnd80/06102009162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 14  6  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18  4  1  0  0  0  0
 19  5  1  0  0  0  0
 20 21  2  0  0  0  0
 21 15  1  0  0  0  0
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 23 14  2  0  0  0  0
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 30 28  2  0  0  0  0
  5  3  1  0  0  0  0
 27 19  2  0  0  0  0
 17 24  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (997)
1060

>  <Formula> (997)
C24H22N4O2

>  <MolWeight> (997)
398.45708

>  <Cat> (997)
P3420

>  <Name> (997)
WAY-384934

>  <Synonyms> (997)
N/A

>  <Target> (997)
pyruvate kinase

>  <Form> (997)
free base

>  <CAS> (997)
498568-75-5

>  <URL> (997)
N/A

$$$$
WAY-388796
csChFnd80/06102009162D

 15 17  0  0  0  0  0  0  0  0999 V2000
   -3.0333   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
  4  5  2  0  0  0  0
  6  8  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (998)
1061

>  <Formula> (998)
C11H11ClN2S

>  <MolWeight> (998)
238.73644

>  <Cat> (998)
P3421

>  <Name> (998)
WAY-388796

>  <Synonyms> (998)
N/A

>  <Target> (998)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (998)
free base

>  <CAS> (998)
40106-58-9

>  <URL> (998)
N/A

$$$$
WAY-388798
csChFnd80/06102009162D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.1793    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0310   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (999)
1062

>  <Formula> (999)
C7H5ClN2OS

>  <MolWeight> (999)
200.6454

>  <Cat> (999)
P3422

>  <Name> (999)
WAY-388798

>  <Synonyms> (999)
N/A

>  <Target> (999)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (999)
free base

>  <CAS> (999)
63417-81-2

>  <URL> (999)
N/A

$$$$
WAY-346940
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.1250    2.1710    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
  3  1  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
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 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
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 21  9  1  0  0  0  0
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  2  5  1  0  0  0  0
 19 12  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,000)
1063

>  <Formula> (1,000)
C15H11ClN4O2S

>  <MolWeight> (1,000)
346.79144

>  <Cat> (1,000)
P3391

>  <Name> (1,000)
WAY-346940

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
Rho

>  <Form> (1,000)
free base

>  <CAS> (1,000)
392246-66-1

>  <URL> (1,000)
N/A

$$$$
WAY-347243
csChFnd80/06102009162D

 15 16  0  0  0  0  0  0  0  0999 V2000
   10.2542   -5.5250    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  2  2  0  0  0  0
  4  5  2  0  0  0  0
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 10  7  1  0  0  0  0
 11  8  2  0  0  0  0
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 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
  3  4  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1064

>  <Formula> (1,001)
C11H13N3S

>  <MolWeight> (1,001)
219.30602

>  <Cat> (1,001)
P3392

>  <Name> (1,001)
WAY-347243

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
Anti-infection

>  <Form> (1,001)
free base

>  <CAS> (1,001)
422298-69-9

>  <URL> (1,001)
N/A

$$$$
WAY-347626
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
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 10  6  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  4  1  0  0  0  0
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 18 10  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> (1,002)
1065

>  <Formula> (1,002)
C17H15N3O3

>  <MolWeight> (1,002)
309.3193

>  <Cat> (1,002)
P3393

>  <Name> (1,002)
WAY-347626

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
CDK2

>  <Form> (1,002)
free base

>  <CAS> (1,002)
756843-31-9

>  <URL> (1,002)
N/A

$$$$
WAY-347806
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,003)
1066

>  <Formula> (1,003)
C17H13FN2O4S

>  <MolWeight> (1,003)
360.3595232

>  <Cat> (1,003)
P3394

>  <Name> (1,003)
WAY-347806

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
CK2,GSK3¦Â

>  <Form> (1,003)
free base

>  <CAS> (1,003)
757198-76-8

>  <URL> (1,003)
N/A

$$$$
WAY-349807
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,004)
1067

>  <Formula> (1,004)
C28H26ClN3O3

>  <MolWeight> (1,004)
487.97734

>  <Cat> (1,004)
P3397

>  <Name> (1,004)
WAY-349807

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
Pim-1

>  <Form> (1,004)
free base

>  <CAS> (1,004)
544662-95-5

>  <URL> (1,004)
N/A

$$$$
WAY-349858
csChFnd80/06102009162D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
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M  END
>  <Mol_ID> (1,005)
1068

>  <Formula> (1,005)
C15H16N2O4S

>  <MolWeight> (1,005)
320.36354

>  <Cat> (1,005)
P3398

>  <Name> (1,005)
WAY-349858

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
c-Jun N-terminal kinase

>  <Form> (1,005)
free base

>  <CAS> (1,005)
771503-50-5

>  <URL> (1,005)
N/A

$$$$
WAY-350732
csChFnd80/06102009162D

 19 20  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
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 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
  8  7  2  0  0  0  0
 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (1,006)
1069

>  <Formula> (1,006)
C13H11BrN2O2S

>  <MolWeight> (1,006)
339.20764

>  <Cat> (1,006)
P3399

>  <Name> (1,006)
WAY-350732

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
c-Jun N-terminal kinase

>  <Form> (1,006)
free base

>  <CAS> (1,006)
438602-71-2

>  <URL> (1,006)
N/A

$$$$
WAY-351429
csChFnd80/06102009162D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  8  6  1  0  0  0  0
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 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  1  0  0  0  0
 19 17  2  0  0  0  0
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 23 11  1  0  0  0  0
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 27 23  2  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,007)
1070

>  <Formula> (1,007)
C21H23N3O4

>  <MolWeight> (1,007)
381.42502

>  <Cat> (1,007)
P3400

>  <Name> (1,007)
WAY-351429

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
choline kinase

>  <Form> (1,007)
free base

>  <CAS> (1,007)
451474-95-6

>  <URL> (1,007)
N/A

$$$$
WAY-351812
csChFnd80/06102009162D

 25 26  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-352098
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PDK1,CRTH2

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free base

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482643-39-0

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N/A

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WAY-352753
csChFnd80/06102009162D

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GSK-3

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free base

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478482-74-5

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N/A

$$$$
WAY-353591
csChFnd80/06102009162D

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free base

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454427-09-9

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N/A

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WAY-353890
csChFnd80/06102009162D

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WAY-353890

>  <Synonyms> (1,012)
N/A

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FGFR1

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free base

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459137-97-4

>  <URL> (1,012)
N/A

$$$$
WAY-354189
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,013)
1076

>  <Formula> (1,013)
C15H12Cl2N2O4S

>  <MolWeight> (1,013)
387.23778

>  <Cat> (1,013)
P3408

>  <Name> (1,013)
WAY-354189

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
JAK-STAT

>  <Form> (1,013)
free base

>  <CAS> (1,013)
850019-35-1

>  <URL> (1,013)
N/A

$$$$
GI-570261
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,014)
1077

>  <Formula> (1,014)
C22H19N5O3S

>  <MolWeight> (1,014)
433.48296

>  <Cat> (1,014)
P3261

>  <Name> (1,014)
GI-570261

>  <Synonyms> (1,014)
N/A

>  <Target> (1,014)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (1,014)
free base

>  <CAS> (1,014)
301357-76-6

>  <URL> (1,014)
N/A

$$$$
WAY-352835
csChFnd80/06102009162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,015)
1078

>  <Formula> (1,015)
C16H15N3OS

>  <MolWeight> (1,015)
297.3748

>  <Cat> (1,015)
P3405

>  <Name> (1,015)
WAY-352835

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
tyrosine kinase

>  <Form> (1,015)
free base

>  <CAS> (1,015)
401638-52-6

>  <URL> (1,015)
N/A

$$$$
WAY-354831
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
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 12 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,016)
1079

>  <Formula> (1,016)
C15H10FN3O3

>  <MolWeight> (1,016)
299.2566032

>  <Cat> (1,016)
P3409

>  <Name> (1,016)
WAY-354831

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
c-Met 

>  <Form> (1,016)
free base

>  <CAS> (1,016)
330572-32-2

>  <URL> (1,016)
N/A

$$$$
WAY-354890
csChFnd80/06102009162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
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 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> (1,017)
1080

>  <Formula> (1,017)
C17H16FN3S

>  <MolWeight> (1,017)
313.3924432

>  <Cat> (1,017)
P3410

>  <Name> (1,017)
WAY-354890

>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
EGFR 

>  <Form> (1,017)
free base

>  <CAS> (1,017)
852407-49-9

>  <URL> (1,017)
N/A

$$$$
WAY-355772
csChFnd80/06102009162D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 15  7  1  0  0  0  0
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 18 11  1  0  0  0  0
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  4  5  2  0  0  0  0
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 26 29  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,018)
1081

>  <Formula> (1,018)
C19H13F3N2O4S

>  <MolWeight> (1,018)
422.3777296

>  <Cat> (1,018)
P3411

>  <Name> (1,018)
WAY-355772

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
serine/threonine kinase

>  <Form> (1,018)
free base

>  <CAS> (1,018)
442658-33-5

>  <URL> (1,018)
N/A

$$$$
WAY-357919
csChFnd80/06102009162D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11 13  1  0  0  0  0
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 13 14  2  0  0  0  0
 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
 18 19  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> (1,019)
1082

>  <Formula> (1,019)
C18H16N2O2S

>  <MolWeight> (1,019)
324.39684

>  <Cat> (1,019)
P3412

>  <Name> (1,019)
WAY-357919

>  <Synonyms> (1,019)
N/A

>  <Target> (1,019)
VEGFR

>  <Form> (1,019)
free base

>  <CAS> (1,019)
298207-77-9

>  <URL> (1,019)
N/A

$$$$
WAY-358024
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
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  3  7  1  0  0  0  0
 20 16  2  0  0  0  0
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M  END
>  <Mol_ID> (1,020)
1083

>  <Formula> (1,020)
C15H11N3O3

>  <MolWeight> (1,020)
281.26614

>  <Cat> (1,020)
P3413

>  <Name> (1,020)
WAY-358024

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
GSK-3b

>  <Form> (1,020)
free base

>  <CAS> (1,020)
70169-39-0

>  <URL> (1,020)
N/A

$$$$
WAY-358667-A
csChFnd80/06102009162D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 15  2  0  0  0  0
 13 16  2  0  0  0  0
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 11 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,021)
1084

>  <Formula> (1,021)
C12H8N2S2

>  <MolWeight> (1,021)
244.33532

>  <Cat> (1,021)
P3414

>  <Name> (1,021)
WAY-358667-A

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
Human protein kinase CK2

>  <Form> (1,021)
free base

>  <CAS> (1,021)
182198-89-6

>  <URL> (1,021)
N/A

$$$$
WAY-358981
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
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 10  6  2  0  0  0  0
 11  6  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16  9  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  2  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> (1,022)
1085

>  <Formula> (1,022)
C14H12N4O

>  <MolWeight> (1,022)
252.27128

>  <Cat> (1,022)
P3415

>  <Name> (1,022)
WAY-358981

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
sphingosine kinase

>  <Form> (1,022)
free base

>  <CAS> (1,022)
307322-32-3

>  <URL> (1,022)
N/A

$$$$
WAY-359594
csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,023)
1086

>  <Formula> (1,023)
C23H21N3O2

>  <MolWeight> (1,023)
371.43174

>  <Cat> (1,023)
P3416

>  <Name> (1,023)
WAY-359594

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
G protein coupled receptor 6 kinase

>  <Form> (1,023)
free base

>  <CAS> (1,023)
33495-39-5

>  <URL> (1,023)
N/A

$$$$
WAY-381785
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,024)
1087

>  <Formula> (1,024)
C20H23N3O

>  <MolWeight> (1,024)
321.41612

>  <Cat> (1,024)
P3417

>  <Name> (1,024)
WAY-381785

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
GSK3

>  <Form> (1,024)
free base

>  <CAS> (1,024)
511239-29-5

>  <URL> (1,024)
N/A

$$$$
WAY-313201
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,025)
1088

>  <Formula> (1,025)
C12H12N2O3S

>  <MolWeight> (1,025)
264.30028

>  <Cat> (1,025)
P3320

>  <Name> (1,025)
WAY-313201

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
 GSK-3b

>  <Form> (1,025)
free base

>  <CAS> (1,025)
571904-77-3

>  <URL> (1,025)
N/A

$$$$
WAY-311972
csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,026)
1089

>  <Formula> (1,026)
C21H18BrN3O3

>  <MolWeight> (1,026)
440.28992

>  <Cat> (1,026)
P3315

>  <Name> (1,026)
WAY-311972

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
ATP-kinases

>  <Form> (1,026)
free base

>  <CAS> (1,026)
606948-76-9

>  <URL> (1,026)
N/A

$$$$
WAY-113178
csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 15 18  1  0  0  0  0
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M  END
>  <Mol_ID> (1,027)
1090

>  <Formula> (1,027)
C21H17N3O3S

>  <MolWeight> (1,027)
391.44298

>  <Cat> (1,027)
P3263

>  <Name> (1,027)
WAY-113178

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
IkB kinase-beta 

>  <Form> (1,027)
free base

>  <CAS> (1,027)
638999-98-1

>  <URL> (1,027)
N/A

$$$$
WAY-344977
csChFnd80/06102009162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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>  <Name> (1,028)
WAY-344977

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
GSK-3

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free base

>  <CAS> (1,028)
686743-57-7

>  <URL> (1,028)
N/A

$$$$
WAY-310507
csChFnd80/06102009162D

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>  <Mol_ID> (1,029)
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>  <Name> (1,029)
WAY-310507

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
Anti-infection

>  <Form> (1,029)
free base

>  <CAS> (1,029)
686743-93-1

>  <URL> (1,029)
N/A

$$$$
WAY-310944
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,030)
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>  <Formula> (1,030)
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>  <Cat> (1,030)
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>  <Name> (1,030)
WAY-310944

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
Anti-infection

>  <Form> (1,030)
free base

>  <CAS> (1,030)
688335-53-7

>  <URL> (1,030)
N/A

$$$$
WAY-310334
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,031)
1094

>  <Formula> (1,031)
C14H16N2O2S2

>  <MolWeight> (1,031)
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>  <Cat> (1,031)
P3310

>  <Name> (1,031)
WAY-310334

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
mPGES-1,human protein kinase CK2

>  <Form> (1,031)
free base

>  <CAS> (1,031)
688335-72-0

>  <URL> (1,031)
N/A

$$$$
WAY-310819
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,032)
1095

>  <Formula> (1,032)
C15H14BrN5O3S

>  <MolWeight> (1,032)
424.27236

>  <Cat> (1,032)
P3312

>  <Name> (1,032)
WAY-310819

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
B-Raf

>  <Form> (1,032)
free base

>  <CAS> (1,032)
326918-98-3

>  <URL> (1,032)
N/A

$$$$
CL-59089
csChFnd80/06102009162D

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>  <Mol_ID> (1,033)
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>  <Formula> (1,033)
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>  <MolWeight> (1,033)
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>  <Cat> (1,033)
P3256

>  <Name> (1,033)
CL-59089

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
sirtuin,Rho,CDK

>  <Form> (1,033)
free base

>  <CAS> (1,033)
3008-61-5

>  <URL> (1,033)
N/A

$$$$
WAY-616312
csChFnd80/06102009162D

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 10  7  1  0  0  0  0
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 15 20  1  0  0  0  0
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 19  3  1  0  0  0  0
 20 14  1  0  0  0  0
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 22  1  1  0  0  0  0
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 27 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1097

>  <Formula> (1,034)
C18H16Cl2N4O4

>  <MolWeight> (1,034)
423.25004

>  <Cat> (1,034)
P3454

>  <Name> (1,034)
WAY-616312

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
sirtuin,Rho,CDK

>  <Form> (1,034)
free base

>  <CAS> (1,034)
730946-98-2

>  <URL> (1,034)
N/A

$$$$
WAY-624687
csChFnd80/06102009162D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  8  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 10  1  0  0  0  0
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 16 13  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
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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> (1,035)
1098

>  <Formula> (1,035)
C13H9N5S2

>  <MolWeight> (1,035)
299.37406

>  <Cat> (1,035)
P3465

>  <Name> (1,035)
WAY-624687

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
GSK3

>  <Form> (1,035)
free base

>  <CAS> (1,035)
753473-65-3

>  <URL> (1,035)
N/A

$$$$
WAY-330162
csChFnd80/06102009162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7 17  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 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
 14  2  2  0  0  0  0
 15  2  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  6  2  0  0  0  0
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 22 20  1  0  0  0  0
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 24  5  1  0  0  0  0
 25 23  1  0  0  0  0
 26  6  1  0  0  0  0
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 30 25  1  0  0  0  0
  4  8  1  0  0  0  0
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 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,036)
1099

>  <Formula> (1,036)
C22H26N2O5S

>  <MolWeight> (1,036)
430.51724

>  <Cat> (1,036)
P3377

>  <Name> (1,036)
WAY-330162

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
Kinase

>  <Form> (1,036)
free base

>  <CAS> (1,036)
868963-46-6

>  <URL> (1,036)
N/A

$$$$
WAY-333883
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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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  8  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  2  1  0  0  0  0
 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
 14 13  2  0  0  0  0
 15  6  2  0  0  0  0
 16 11  2  0  0  0  0
 17 19  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 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
  6  5  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,037)
1100

>  <Formula> (1,037)
C16H16Cl2N4O

>  <MolWeight> (1,037)
351.23044

>  <Cat> (1,037)
P3382

>  <Name> (1,037)
WAY-333883

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
pyruvate kinase

>  <Form> (1,037)
free base

>  <CAS> (1,037)
863448-35-5

>  <URL> (1,037)
N/A

$$$$
WAY-333875
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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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  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8 11  1  0  0  0  0
  9  4  2  0  0  0  0
 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> (1,038)
1101

>  <Formula> (1,038)
C16H16ClFN4O

>  <MolWeight> (1,038)
334.7758432

>  <Cat> (1,038)
P3380

>  <Name> (1,038)
WAY-333875

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
pyruvate kinase

>  <Form> (1,038)
free base

>  <CAS> (1,038)
863448-22-0

>  <URL> (1,038)
N/A

$$$$
WAY-333878
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
  -12.3542    6.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,039)
1102

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C18H22N4O

>  <MolWeight> (1,039)
310.39348

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>  <Name> (1,039)
WAY-333878

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
pyruvate kinase

>  <Form> (1,039)
free base

>  <CAS> (1,039)
863448-25-3

>  <URL> (1,039)
N/A

$$$$
WAY-329412
csChFnd80/06102009162D

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>  <Mol_ID> (1,040)
1103

>  <Formula> (1,040)
C27H25N3O3

>  <MolWeight> (1,040)
439.5057

>  <Cat> (1,040)
P3365

>  <Name> (1,040)
WAY-329412

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
Abl

>  <Form> (1,040)
free base

>  <CAS> (1,040)
943932-69-2

>  <URL> (1,040)
N/A

$$$$
WAY-329689
csChFnd80/06102009162D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,041)
1104

>  <Formula> (1,041)
C29H29N3O4

>  <MolWeight> (1,041)
483.55826

>  <Cat> (1,041)
P3376

>  <Name> (1,041)
WAY-329689

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Abl

>  <Form> (1,041)
free base

>  <CAS> (1,041)
943934-76-7

>  <URL> (1,041)
N/A

$$$$
WAY-329424
csChFnd80/06102009162D

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>  <Mol_ID> (1,042)
1105

>  <Formula> (1,042)
C24H27N3O3

>  <MolWeight> (1,042)
405.48948

>  <Cat> (1,042)
P3367

>  <Name> (1,042)
WAY-329424

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
Abl

>  <Form> (1,042)
free base

>  <CAS> (1,042)
943933-52-6

>  <URL> (1,042)
N/A

$$$$
WAY-329686
csChFnd80/06102009162D

 31 34  0  0  0  0  0  0  0  0999 V2000
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Abl

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free base

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943934-31-4

>  <URL> (1,043)
N/A

$$$$
WAY-329410
csChFnd80/06102009162D

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>  <MolWeight> (1,044)
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>  <Name> (1,044)
WAY-329410

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
Abl

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free base

>  <CAS> (1,044)
943932-62-5

>  <URL> (1,044)
N/A

$$$$
WAY-329685
csChFnd80/06102009162D

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>  <MolWeight> (1,045)
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>  <Cat> (1,045)
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>  <Name> (1,045)
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>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
Abl

>  <Form> (1,045)
free base

>  <CAS> (1,045)
943934-25-6

>  <URL> (1,045)
N/A

$$$$
WAY-329423
csChFnd80/06102009162D

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>  <MolWeight> (1,046)
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>  <Cat> (1,046)
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>  <Name> (1,046)
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>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
Abl

>  <Form> (1,046)
free base

>  <CAS> (1,046)
943933-49-1

>  <URL> (1,046)
N/A

$$$$
WAY-329356
csChFnd80/06102009162D

 33 37  0  0  0  0  0  0  0  0999 V2000
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WAY-329341
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943931-29-1

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N/A

$$$$
WAY-329340
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943931-23-5

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N/A

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WAY-641918
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free base

>  <CAS> (1,050)
850467-77-5

>  <URL> (1,050)
N/A

$$$$
WAY-278459-A
csChFnd80/06102009162D

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>  <Mol_ID> (1,051)
1114

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C11H12N2OS

>  <MolWeight> (1,051)
220.29078

>  <Cat> (1,051)
P3291

>  <Name> (1,051)
WAY-278459-A

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (1,051)
free base

>  <CAS> (1,051)
105512-88-7

>  <URL> (1,051)
N/A

$$$$
WAY-278559-A
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,052)
1115

>  <Formula> (1,052)
C17H23N3O

>  <MolWeight> (1,052)
285.38402

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P3294

>  <Name> (1,052)
WAY-278559-A

>  <Synonyms> (1,052)
N/A

>  <Target> (1,052)
ethanolamine kinase

>  <Form> (1,052)
free base

>  <CAS> (1,052)
301330-81-4

>  <URL> (1,052)
N/A

$$$$
WAY-642481
csChFnd80/06102009162D

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>  <Mol_ID> (1,053)
1116

>  <Formula> (1,053)
C17H16N2OS

>  <MolWeight> (1,053)
296.38674

>  <Cat> (1,053)
P3501

>  <Name> (1,053)
WAY-642481

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
CDK

>  <Form> (1,053)
free base

>  <CAS> (1,053)
22312-45-4

>  <URL> (1,053)
N/A

$$$$
WAY-643632-A
csChFnd80/06102009162D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,054)
1117

>  <Formula> (1,054)
C11H14N2O2

>  <MolWeight> (1,054)
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>  <Cat> (1,054)
P3502

>  <Name> (1,054)
WAY-643632-A

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
SRC kinase,TTX-S channel

>  <Form> (1,054)
free base

>  <CAS> (1,054)
500356-88-7

>  <URL> (1,054)
N/A

$$$$
WAY-616763
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,055)
1118

>  <Formula> (1,055)
C18H15Cl2N3O4S

>  <MolWeight> (1,055)
440.3004

>  <Cat> (1,055)
P3456

>  <Name> (1,055)
WAY-616763

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
Anti-infection

>  <Form> (1,055)
free base

>  <CAS> (1,055)
735303-62-5

>  <URL> (1,055)
N/A

$$$$
WAY-641966
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,056)
1119

>  <Formula> (1,056)
C20H16N4

>  <MolWeight> (1,056)
312.36784

>  <Cat> (1,056)
P3499

>  <Name> (1,056)
WAY-641966

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
TGF-¦Â,p38-¦Á

>  <Form> (1,056)
free base

>  <CAS> (1,056)
259870-32-1

>  <URL> (1,056)
N/A

$$$$
WAY-642424
csChFnd80/06102009162D

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 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,057)
1120

>  <Formula> (1,057)
C19H14FN5OS

>  <MolWeight> (1,057)
379.4107632

>  <Cat> (1,057)
P3500

>  <Name> (1,057)
WAY-642424

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
Casein kinase 1¦Ä

>  <Form> (1,057)
free base

>  <CAS> (1,057)
851396-73-1

>  <URL> (1,057)
N/A

$$$$
WAY-329592
csChFnd80/06102009162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11  3  1  0  0  0  0
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 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
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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> (1,058)
1121

>  <Formula> (1,058)
C22H25BrN2O4S

>  <MolWeight> (1,058)
493.4139

>  <Cat> (1,058)
P3368

>  <Name> (1,058)
WAY-329592

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
tyrosine kinase

>  <Form> (1,058)
free base

>  <CAS> (1,058)
868963-53-5

>  <URL> (1,058)
N/A

$$$$
WAY-333939
csChFnd80/06102009162D

 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
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 20 18  2  0  0  0  0
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M  END
>  <Mol_ID> (1,059)
1122

>  <Formula> (1,059)
C19H21N5O2

>  <MolWeight> (1,059)
351.40234

>  <Cat> (1,059)
P3384

>  <Name> (1,059)
WAY-333939

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
Anti-infection

>  <Form> (1,059)
free base

>  <CAS> (1,059)
689268-14-2

>  <URL> (1,059)
N/A

$$$$
WAY-333908
csChFnd80/06102009162D

 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
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  4  3  1  0  0  0  0
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 25 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,060)
1123

>  <Formula> (1,060)
C17H12N6O2

>  <MolWeight> (1,060)
332.31618

>  <Cat> (1,060)
P3383

>  <Name> (1,060)
WAY-333908

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
others

>  <Form> (1,060)
free base

>  <CAS> (1,060)
689269-24-7

>  <URL> (1,060)
N/A

$$$$
WAY-333945
csChFnd80/06102009162D

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1124

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351.38242

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WAY-333945

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
Anti-infection

>  <Form> (1,061)
free base

>  <CAS> (1,061)
689273-45-8

>  <URL> (1,061)
N/A

$$$$
WAY-616584
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,062)
1125

>  <Formula> (1,062)
C16H13N3O2S

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311.35832

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P3455

>  <Name> (1,062)
WAY-616584

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
Casein kinase 1¦Ä

>  <Form> (1,062)
free base

>  <CAS> (1,062)
695223-53-1

>  <URL> (1,062)
N/A

$$$$
WAY-625530
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,063)
1126

>  <Formula> (1,063)
C22H18ClFN2O3

>  <MolWeight> (1,063)
412.8413232

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P3466

>  <Name> (1,063)
WAY-625530

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
FGFR1

>  <Form> (1,063)
free base

>  <CAS> (1,063)
956782-57-3

>  <URL> (1,063)
N/A

$$$$
WAY-625741
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,064)
1127

>  <Formula> (1,064)
C16H13N3O4S

>  <MolWeight> (1,064)
343.35712

>  <Cat> (1,064)
P3467

>  <Name> (1,064)
WAY-625741

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
Casein kinase 1d

>  <Form> (1,064)
free base

>  <CAS> (1,064)
756857-71-3

>  <URL> (1,064)
N/A

$$$$
WAY-626116
csChFnd80/06102009162D

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N/A

>  <Target> (1,065)
Casein kinase 1d

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free base

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753468-25-6

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N/A

$$$$
WAY-273170
csChFnd80/06102009162D

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>  <Mol_ID> (1,066)
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396.85012

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WAY-273170

>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
Myt1

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free base

>  <CAS> (1,066)
478247-52-8

>  <URL> (1,066)
N/A

$$$$
WAY-277054
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,067)
1130

>  <Formula> (1,067)
C16H11ClFN3OS2

>  <MolWeight> (1,067)
379.8594432

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P3290

>  <Name> (1,067)
WAY-277054

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
tyrosine kinase

>  <Form> (1,067)
free base

>  <CAS> (1,067)
753467-39-9?

>  <URL> (1,067)
N/A

$$$$
WAY-336715
csChFnd80/06102009162D

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>  <Mol_ID> (1,068)
1131

>  <Formula> (1,068)
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>  <MolWeight> (1,068)
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>  <Cat> (1,068)
P3386

>  <Name> (1,068)
WAY-336715

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
CDK8

>  <Form> (1,068)
free base

>  <CAS> (1,068)
451458-32-5

>  <URL> (1,068)
N/A

$$$$
WAY-337647
csChFnd80/06102009162D

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>  <Mol_ID> (1,069)
1132

>  <Formula> (1,069)
C15H12ClNO4

>  <MolWeight> (1,069)
305.71308

>  <Cat> (1,069)
P3387

>  <Name> (1,069)
WAY-337647

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
f mitogen-activated protein kinase kinase 4

>  <Form> (1,069)
free base

>  <CAS> (1,069)
1402605-80-4

>  <URL> (1,069)
N/A

$$$$
WAY-612453
csChFnd80/06102009162D

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>  <Name> (1,070)
WAY-612453

>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
Anti-infection

>  <Form> (1,070)
free base

>  <CAS> (1,070)
300809-10-3

>  <URL> (1,070)
N/A

$$$$
WAY-612622
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,071)
1134

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C16H11FN2O2

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282.2691432

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P3447

>  <Name> (1,071)
WAY-612622

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
CDK

>  <Form> (1,071)
free base

>  <CAS> (1,071)
288401-60-5

>  <URL> (1,071)
N/A

$$$$
WAY-612698
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,072)
1135

>  <Formula> (1,072)
C17H19NO4S

>  <MolWeight> (1,072)
333.40206

>  <Cat> (1,072)
P3448

>  <Name> (1,072)
WAY-612698

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,072)
free base

>  <CAS> (1,072)
565191-45-9

>  <URL> (1,072)
N/A

$$$$
WAY-612763
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,073)
1136

>  <Formula> (1,073)
C21H15ClF3N3O5

>  <MolWeight> (1,073)
481.8091096

>  <Cat> (1,073)
P3449

>  <Name> (1,073)
WAY-612763

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
YycG histidine kinase

>  <Form> (1,073)
free base

>  <CAS> (1,073)
479060-67-8

>  <URL> (1,073)
N/A

$$$$
WAY-630308
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,074)
1137

>  <Formula> (1,074)
C16H21N3O3

>  <MolWeight> (1,074)
303.35624

>  <Cat> (1,074)
P3469

>  <Name> (1,074)
WAY-630308

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
Casein kinase 1¦Ä

>  <Form> (1,074)
free base

>  <CAS> (1,074)
326034-30-4

>  <URL> (1,074)
N/A

$$$$
WAY-630363
csChFnd80/06102009162D

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>  <Name> (1,075)
WAY-630363

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
Casein kinase 1¦Ä

>  <Form> (1,075)
free base

>  <CAS> (1,075)
729579-66-2

>  <URL> (1,075)
N/A

$$$$
WAY-647361
csChFnd80/06102009162D

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>  <Mol_ID> (1,076)
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>  <Name> (1,076)
WAY-647361

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
 PI3K

>  <Form> (1,076)
free base

>  <CAS> (1,076)
852399-94-1

>  <URL> (1,076)
N/A

$$$$
WAY-647636
csChFnd80/06102009162D

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>  <Mol_ID> (1,077)
1140

>  <Formula> (1,077)
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>  <MolWeight> (1,077)
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>  <Cat> (1,077)
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>  <Name> (1,077)
WAY-647636

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Casein kinase 1¦Ä

>  <Form> (1,077)
free base

>  <CAS> (1,077)
556055-08-4

>  <URL> (1,077)
N/A

$$$$
WAY-647729
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,078)
1141

>  <Formula> (1,078)
C16H11N3OS

>  <MolWeight> (1,078)
293.34304

>  <Cat> (1,078)
P3506

>  <Name> (1,078)
WAY-647729

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
CDK

>  <Form> (1,078)
free base

>  <CAS> (1,078)
852678-17-2

>  <URL> (1,078)
N/A

$$$$
WAY-647766
csChFnd80/06102009162D

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>  <Mol_ID> (1,079)
1142

>  <Formula> (1,079)
C16H12N6S

>  <MolWeight> (1,079)
320.37168

>  <Cat> (1,079)
P3507

>  <Name> (1,079)
WAY-647766

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
Casein kinase 1¦Ä

>  <Form> (1,079)
free base

>  <CAS> (1,079)
851168-98-4

>  <URL> (1,079)
N/A

$$$$
WAY-647802
csChFnd80/06102009162D

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>  <Mol_ID> (1,080)
1143

>  <Formula> (1,080)
C11H14N4O3

>  <MolWeight> (1,080)
250.25386

>  <Cat> (1,080)
P3508

>  <Name> (1,080)
WAY-647802

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
EGFR,CDK4 and 6

>  <Form> (1,080)
free base

>  <CAS> (1,080)
852225-20-8

>  <URL> (1,080)
N/A

$$$$
WAY-648936
csChFnd80/06102009162D

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>  <Synonyms> (1,081)
N/A

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CDK

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free base

>  <CAS> (1,081)
796888-73-8

>  <URL> (1,081)
N/A

$$$$
WAY-649123
csChFnd80/06102009162D

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>  <Mol_ID> (1,082)
1145

>  <Formula> (1,082)
C21H18N4

>  <MolWeight> (1,082)
326.39442

>  <Cat> (1,082)
P3510

>  <Name> (1,082)
WAY-649123

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
TGF-¦Â,p38-a

>  <Form> (1,082)
free base

>  <CAS> (1,082)
801244-46-2

>  <URL> (1,082)
N/A

$$$$
WL-300778
csChFnd80/06102009162D

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1146

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WL-300778

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ROCK,Pteridine Reductase 1

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free base

>  <CAS> (1,083)
802980-14-9

>  <URL> (1,083)
N/A

$$$$
CL-104773
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,084)
1147

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C17H14N2O

>  <MolWeight> (1,084)
262.30586

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P3253

>  <Name> (1,084)
CL-104773

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (1,084)
free base

>  <CAS> (1,084)
802980-92-3

>  <URL> (1,084)
N/A

$$$$
WAY-269040
csChFnd80/06102009162D

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>  <Mol_ID> (1,085)
1148

>  <Formula> (1,085)
C20H23N3OS

>  <MolWeight> (1,085)
353.48112

>  <Cat> (1,085)
P3271

>  <Name> (1,085)
WAY-269040

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
Anti-infection

>  <Form> (1,085)
free base

>  <CAS> (1,085)
846065-09-6

>  <URL> (1,085)
N/A

$$$$
WAY-339696
csChFnd80/06102009162D

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>  <Synonyms> (1,086)
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>  <Target> (1,086)
 EGFR-T790M/L858R

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free base

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333419-97-9

>  <URL> (1,086)
N/A

$$$$
WAY-349290
csChFnd80/06102009162D

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>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Pim,MCH receptor

>  <Form> (1,087)
free base

>  <CAS> (1,087)
215928-66-8

>  <URL> (1,087)
N/A

$$$$
WAY-613473
csChFnd80/06102009162D

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>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
HIV,JAK-2,PI3K

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free base

>  <CAS> (1,088)
301357-74-4

>  <URL> (1,088)
N/A

$$$$
WAY-613991
csChFnd80/06102009162D

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>  <Mol_ID> (1,089)
1152

>  <Formula> (1,089)
C23H17N3O4

>  <MolWeight> (1,089)
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>  <Name> (1,089)
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>  <Synonyms> (1,089)
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>  <Target> (1,089)
Casein kinase 1d

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free base

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565167-37-5

>  <URL> (1,089)
N/A

$$$$
WAY-630998
csChFnd80/06102009162D

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>  <Name> (1,090)
WAY-630998

>  <Synonyms> (1,090)
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>  <Target> (1,090)
p38a

>  <Form> (1,090)
free base

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251106-30-6

>  <URL> (1,090)
N/A

$$$$
WAY-631127
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,091)
1154

>  <Formula> (1,091)
C24H18ClN3O3

>  <MolWeight> (1,091)
431.87102

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P3472

>  <Name> (1,091)
WAY-631127

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Casein kinase 1¦Ä

>  <Form> (1,091)
free base

>  <CAS> (1,091)
756849-12-4

>  <URL> (1,091)
N/A

$$$$
WAY-631545
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,092)
1155

>  <Formula> (1,092)
C12H6ClFN2S

>  <MolWeight> (1,092)
264.7058432

>  <Cat> (1,092)
P3473

>  <Name> (1,092)
WAY-631545

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
others

>  <Form> (1,092)
free base

>  <CAS> (1,092)
681260-56-0

>  <URL> (1,092)
N/A

$$$$
WAY-632021
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,093)
1156

>  <Formula> (1,093)
C13H10ClN3S

>  <MolWeight> (1,093)
275.7566

>  <Cat> (1,093)
P3474

>  <Name> (1,093)
WAY-632021

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
TIE-2,Raf,phosphodiesterase V

>  <Form> (1,093)
free base

>  <CAS> (1,093)
742094-64-0

>  <URL> (1,093)
N/A

$$$$
WAY-632323
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,094)
1157

>  <Formula> (1,094)
C18H15N5S2

>  <MolWeight> (1,094)
365.4752

>  <Cat> (1,094)
P3475

>  <Name> (1,094)
WAY-632323

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
Casein kinase 1¦Ä

>  <Form> (1,094)
free base

>  <CAS> (1,094)
782457-22-1

>  <URL> (1,094)
N/A

$$$$
WAY-650313
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,095)
1158

>  <Formula> (1,095)
C23H18FN3O

>  <MolWeight> (1,095)
371.4069232

>  <Cat> (1,095)
P3511

>  <Name> (1,095)
WAY-650313

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
Casein kinase 1¦Ä

>  <Form> (1,095)
free base

>  <CAS> (1,095)
847772-08-1

>  <URL> (1,095)
N/A

$$$$
WAY-650886
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,096)
1159

>  <Formula> (1,096)
C19H16N4O2

>  <MolWeight> (1,096)
332.35594

>  <Cat> (1,096)
P3512

>  <Name> (1,096)
WAY-650886

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
Casein kinase 1¦Ä

>  <Form> (1,096)
free base

>  <CAS> (1,096)
848066-61-5

>  <URL> (1,096)
N/A

$$$$
WAY-651445
csChFnd80/06102009162D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,097)
1160

>  <Formula> (1,097)
C18H13N3O2S

>  <MolWeight> (1,097)
335.37972

>  <Cat> (1,097)
P3513

>  <Name> (1,097)
WAY-651445

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
LIMK1£¬IkB

>  <Form> (1,097)
free base

>  <CAS> (1,097)
848289-47-4

>  <URL> (1,097)
N/A

$$$$
GI-555736
csChFnd80/06102009162D

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>  <Mol_ID> (1,098)
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>  <MolWeight> (1,098)
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>  <Name> (1,098)
GI-555736

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
PDGFR

>  <Form> (1,098)
free base

>  <CAS> (1,098)
848342-16-5

>  <URL> (1,098)
N/A

$$$$
WAY-270318
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,099)
1162

>  <Formula> (1,099)
C14H14N4OS

>  <MolWeight> (1,099)
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>  <Cat> (1,099)
P3272

>  <Name> (1,099)
WAY-270318

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
protein kinase

>  <Form> (1,099)
free base

>  <CAS> (1,099)
721964-48-3

>  <URL> (1,099)
N/A

$$$$
WAY-270329
csChFnd80/06102009162D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,100)
1163

>  <Formula> (1,100)
C21H18FN5O2S

>  <MolWeight> (1,100)
423.4633232

>  <Cat> (1,100)
P3273

>  <Name> (1,100)
WAY-270329

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
protein kinase

>  <Form> (1,100)
free base

>  <CAS> (1,100)
721964-51-8

>  <URL> (1,100)
N/A

$$$$
WAY-270382
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,101)
1164

>  <Formula> (1,101)
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>  <MolWeight> (1,101)
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>  <Name> (1,101)
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>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Metallo-b-lactamase,ASK1

>  <Form> (1,101)
free base

>  <CAS> (1,101)
1427537-93-6

>  <URL> (1,101)
N/A

$$$$
WAY-270444
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,102)
1165

>  <Formula> (1,102)
C17H16N2O3

>  <MolWeight> (1,102)
296.32054

>  <Cat> (1,102)
P3275

>  <Name> (1,102)
WAY-270444

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
Hsp90,PDK4,PPAR

>  <Form> (1,102)
free base

>  <CAS> (1,102)
394237-61-7

>  <URL> (1,102)
N/A

$$$$
WAY-270599
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,103)
1166

>  <Formula> (1,103)
C17H11ClN2O4S

>  <MolWeight> (1,103)
374.79824

>  <Cat> (1,103)
P3276

>  <Name> (1,103)
WAY-270599

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
FGFR1,TNFa

>  <Form> (1,103)
free base

>  <CAS> (1,103)
397281-20-8

>  <URL> (1,103)
N/A

$$$$
WAY-270947
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,104)
1167

>  <Formula> (1,104)
C17H14BrN7O

>  <MolWeight> (1,104)
412.24336

>  <Cat> (1,104)
P3277

>  <Name> (1,104)
WAY-270947

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
ALK5

>  <Form> (1,104)
free base

>  <CAS> (1,104)
1198579-20-2

>  <URL> (1,104)
N/A

$$$$
WAY-270966
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,105)
1168

>  <Formula> (1,105)
C16H14BrN3OS2

>  <MolWeight> (1,105)
408.33586

>  <Cat> (1,105)
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>  <Name> (1,105)
WAY-270966

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
p38

>  <Form> (1,105)
free base

>  <CAS> (1,105)
421578-44-1

>  <URL> (1,105)
N/A

$$$$
WAY-270968
csChFnd80/06102009162D

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M  END
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WAY-270968

>  <Synonyms> (1,106)
N/A

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p38

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free base

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421578-46-3

>  <URL> (1,106)
N/A

$$$$
WAY-271147
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,107)
1170

>  <Formula> (1,107)
C17H12N2O4

>  <MolWeight> (1,107)
308.28818

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P3281

>  <Name> (1,107)
WAY-271147

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
VEGFR

>  <Form> (1,107)
free base

>  <CAS> (1,107)
683235-34-9

>  <URL> (1,107)
N/A

$$$$
WAY-600632
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,108)
1171

>  <Formula> (1,108)
C14H9N3O2S2

>  <MolWeight> (1,108)
315.37016

>  <Cat> (1,108)
P3423

>  <Name> (1,108)
WAY-600632

>  <Synonyms> (1,108)
N/A

>  <Target> (1,108)
Casein kinase 1¦Ä

>  <Form> (1,108)
free base

>  <CAS> (1,108)
438018-70-3

>  <URL> (1,108)
N/A

$$$$
WAY-601258
csChFnd80/06102009162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,109)
1172

>  <Formula> (1,109)
C13H12N4OS2

>  <MolWeight> (1,109)
304.39058

>  <Cat> (1,109)
P3428

>  <Name> (1,109)
WAY-601258

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
Anti-infection

>  <Form> (1,109)
free base

>  <CAS> (1,109)
496023-52-0

>  <URL> (1,109)
N/A

$$$$
WAY-601323
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,110)
1173

>  <Formula> (1,110)
C16H18N4O2

>  <MolWeight> (1,110)
298.33972

>  <Cat> (1,110)
P3429

>  <Name> (1,110)
WAY-601323

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
CDK9 

>  <Form> (1,110)
free base

>  <CAS> (1,110)
324778-48-5

>  <URL> (1,110)
N/A

$$$$
WAY-600704-A
csChFnd80/06102009162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
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 15  6  1  0  0  0  0
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 11 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,111)
1174

>  <Formula> (1,111)
C17H22N2O

>  <MolWeight> (1,111)
270.36938

>  <Cat> (1,111)
P3424

>  <Name> (1,111)
WAY-600704

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
ethanolamine kinase

>  <Form> (1,111)
free base

>  <CAS> (1,111)
301330-94-9

>  <URL> (1,111)
N/A

$$$$
WAY-600868
csChFnd80/06102009162D

 17 19  0  0  0  0  0  0  0  0999 V2000
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348-45-8

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N/A

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WAY-601017
csChFnd80/06102009162D

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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
csChFnd80/06102009162D

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 PI3K

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304645-61-2

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N/A

$$$$
WAY-614915
csChFnd80/06102009162D

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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

$$$$
WAY-615029
csChFnd80/06102009162D

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>  <Synonyms> (1,116)
N/A

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free base

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730945-59-2

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N/A

$$$$
WAY-632613
csChFnd80/06102009162D

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p38

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free base

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731816-85-6

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N/A

$$$$
WAY-632896
csChFnd80/06102009162D

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CDK9,GSK-3

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free base

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784170-07-6

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N/A

$$$$
WAY-632963-A
csChFnd80/06102009162D

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Aurora kinase A

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free base

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900640-73-5

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N/A

$$$$
WAY-633334
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,120)
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>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
Casein kinase 1¦Ä

>  <Form> (1,120)
free base

>  <CAS> (1,120)
757224-44-5

>  <URL> (1,120)
N/A

$$$$
WAY-633877
csChFnd80/06102009162D

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WAY-633877

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
Casein kinase 1¦Ä

>  <Form> (1,121)
free base

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782452-74-8

>  <URL> (1,121)
N/A

$$$$
WAY-652435
csChFnd80/06102009162D

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>  <MolWeight> (1,122)
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>  <Cat> (1,122)
P3514

>  <Name> (1,122)
WAY-652435

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (1,122)
free base

>  <CAS> (1,122)
173850-51-6

>  <URL> (1,122)
N/A

$$$$
WAY-652509
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,123)
1186

>  <Formula> (1,123)
C15H12ClN3

>  <MolWeight> (1,123)
269.72888

>  <Cat> (1,123)
P3515

>  <Name> (1,123)
WAY-652509

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (1,123)
free base

>  <CAS> (1,123)
854355-54-7

>  <URL> (1,123)
N/A

$$$$
WAY-652641
csChFnd80/06102009162D

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 11  7  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,124)
1187

>  <Formula> (1,124)
C9H14N2O3

>  <MolWeight> (1,124)
198.21906

>  <Cat> (1,124)
P3516

>  <Name> (1,124)
WAY-652641

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
CDK

>  <Form> (1,124)
free base

>  <CAS> (1,124)
852851-73-1

>  <URL> (1,124)
N/A

$$$$
WAY-652848
csChFnd80/06102009162D

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 12  6  1  0  0  0  0
 13 10  1  0  0  0  0
 14  7  1  0  0  0  0
 15  3  2  0  0  0  0
 16  9  1  0  0  0  0
 17  4  1  0  0  0  0
 18  4  1  0  0  0  0
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 20 24  1  0  0  0  0
 21  8  1  0  0  0  0
 22  8  1  0  0  0  0
 23 12  1  0  0  0  0
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 25 21  1  0  0  0  0
 13 12  2  0  0  0  0
 16 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,125)
1188

>  <Formula> (1,125)
C17H17F3N2O3

>  <MolWeight> (1,125)
354.3236896

>  <Cat> (1,125)
P3517

>  <Name> (1,125)
WAY-652848

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
SRPK kinase 

>  <Form> (1,125)
free base

>  <CAS> (1,125)
848057-98-7

>  <URL> (1,125)
N/A

$$$$
WAY-653005
csChFnd80/06102009162D

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  2  3  1  0  0  0  0
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  5  2  2  0  0  0  0
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 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
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  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,126)
1189

>  <Formula> (1,126)
C11H15NO

>  <MolWeight> (1,126)
177.2429

>  <Cat> (1,126)
P3518

>  <Name> (1,126)
WAY-653005

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
others

>  <Form> (1,126)
free base

>  <CAS> (1,126)
74190-66-2

>  <URL> (1,126)
N/A

$$$$
WAY-271413
csChFnd80/06102009162D

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 10  4  1  0  0  0  0
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 12  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,127)
1190

>  <Formula> (1,127)
C20H15N3O4S

>  <MolWeight> (1,127)
393.4158

>  <Cat> (1,127)
P3282

>  <Name> (1,127)
WAY-271413

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
GSK-3¦Â

>  <Form> (1,127)
free base

>  <CAS> (1,127)
536731-65-4

>  <URL> (1,127)
N/A

$$$$
WAY-271999
csChFnd80/06102009162D

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 10  4  2  0  0  0  0
 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,128)
1191

>  <Formula> (1,128)
C11H7ClN2O3

>  <MolWeight> (1,128)
250.63788

>  <Cat> (1,128)
P3283

>  <Name> (1,128)
WAY-271999

>  <Synonyms> (1,128)
N/A

>  <Target> (1,128)
c-Met

>  <Form> (1,128)
free base

>  <CAS> (1,128)
147920-34-1

>  <URL> (1,128)
N/A

$$$$
WAY-272077
csChFnd80/06102009162D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,129)
1192

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WAY-272077

>  <Synonyms> (1,129)
N/A

>  <Target> (1,129)
sphingosine kinase

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free base

>  <CAS> (1,129)
1415662-57-5

>  <URL> (1,129)
N/A

$$$$
WAY-272130
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,130)
1193

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>  <Cat> (1,130)
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>  <Name> (1,130)
WAY-272130

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
FGFR1

>  <Form> (1,130)
free base

>  <CAS> (1,130)
442534-83-0

>  <URL> (1,130)
N/A

$$$$
WAY-272324
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,131)
1194

>  <Formula> (1,131)
C16H11NO5S

>  <MolWeight> (1,131)
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>  <Cat> (1,131)
P3286

>  <Name> (1,131)
WAY-272324

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
 PI3K

>  <Form> (1,131)
free base

>  <CAS> (1,131)
900515-01-7

>  <URL> (1,131)
N/A

$$$$
WAY-272449
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,132)
1195

>  <Formula> (1,132)
C17H11ClN2O3S

>  <MolWeight> (1,132)
358.79884

>  <Cat> (1,132)
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>  <Name> (1,132)
WAY-272449

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
FGFR1

>  <Form> (1,132)
free base

>  <CAS> (1,132)
670266-26-9

>  <URL> (1,132)
N/A

$$$$
WAY-272589
csChFnd80/06102009162D

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>  <Mol_ID> (1,133)
1196

>  <Formula> (1,133)
C16H15N3O2S2

>  <MolWeight> (1,133)
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>  <Cat> (1,133)
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>  <Name> (1,133)
WAY-272589

>  <Synonyms> (1,133)
N/A

>  <Target> (1,133)
pin1

>  <Form> (1,133)
free base

>  <CAS> (1,133)
637325-53-2

>  <URL> (1,133)
N/A

$$$$
WAY-320008
csChFnd80/06102009162D

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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  5 10  1  0  0  0  0
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  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
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 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 23 24  1  0  0  0  0
  9 10  2  0  0  0  0
 12 16  1  0  0  0  0
 14 18  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,134)
1197

>  <Formula> (1,134)
C20H16N4

>  <MolWeight> (1,134)
312.36784

>  <Cat> (1,134)
P3322

>  <Name> (1,134)
WAY-320008

>  <Synonyms> (1,134)
N/A

>  <Target> (1,134)
tropomyosin-related kinase a

>  <Form> (1,134)
free base

>  <CAS> (1,134)
128889-33-8

>  <URL> (1,134)
N/A

$$$$
WAY-320426
csChFnd80/06102009162D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.1000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7792    0.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2875    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9042    1.6000    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  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
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 20 18  2  0  0  0  0
  6  5  1  0  0  0  0
 20 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,135)
1198

>  <Formula> (1,135)
C14H14ClN3O2

>  <MolWeight> (1,135)
291.73286

>  <Cat> (1,135)
P3326

>  <Name> (1,135)
WAY-320426

>  <Synonyms> (1,135)
N/A

>  <Target> (1,135)
Anti-infection

>  <Form> (1,135)
free base

>  <CAS> (1,135)
312601-47-1

>  <URL> (1,135)
N/A

$$$$
WAY-320509
csChFnd80/06102009162D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.2928   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2928   -1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2169   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382    0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  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  2  0  0  0  0
  9 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
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,136)
1199

>  <Formula> (1,136)
C18H17N3O2S

>  <MolWeight> (1,136)
339.41148

>  <Cat> (1,136)
P3327

>  <Name> (1,136)
WAY-320509

>  <Synonyms> (1,136)
N/A

>  <Target> (1,136)
Anti-infection,CDK8

>  <Form> (1,136)
free base

>  <CAS> (1,136)
314035-54-6

>  <URL> (1,136)
N/A

$$$$
WAY-320049
csChFnd80/06102009162D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.5268   -0.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7716    1.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7042    0.1569    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
  1  5  2  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
  3  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
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  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 12 17  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,137)
1200

>  <Formula> (1,137)
C13H17NO3S

>  <MolWeight> (1,137)
267.34398

>  <Cat> (1,137)
P3323

>  <Name> (1,137)
WAY-320049

>  <Synonyms> (1,137)
N/A

>  <Target> (1,137)
others

>  <Form> (1,137)
free base

>  <CAS> (1,137)
298193-11-0

>  <URL> (1,137)
N/A

$$$$
WAY-320080
csChFnd80/06102009162D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.5138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5000   -0.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1311   -2.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5656    0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5689   -0.2660    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
  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
 12 18  1  0  0  0  0
 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> (1,138)
1201

>  <Formula> (1,138)
C14H13N3O2S

>  <MolWeight> (1,138)
287.33692

>  <Cat> (1,138)
P3324

>  <Name> (1,138)
WAY-320080

>  <Synonyms> (1,138)
N/A

>  <Target> (1,138)
glucokinase,heat shock protein 90

>  <Form> (1,138)
free base

>  <CAS> (1,138)
349549-38-8

>  <URL> (1,138)
N/A

$$$$
WAY-320081
csChFnd80/06102009162D

 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
    1.9437   -1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5563    0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2781   -2.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6253    1.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8023    0.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5023    0.0659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5943    1.5831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  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> (1,139)
1202

>  <Formula> (1,139)
C14H13N3O2S

>  <MolWeight> (1,139)
287.33692

>  <Cat> (1,139)
P3325

>  <Name> (1,139)
WAY-320081

>  <Synonyms> (1,139)
N/A

>  <Target> (1,139)
glucokinase,heat shock protein 90

>  <Form> (1,139)
free base

>  <CAS> (1,139)
66780-67-4

>  <URL> (1,139)
N/A

$$$$
WAY-602219
csChFnd80/06102009162D

 21 23  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  1  1  0  0  0  0
  5  2  2  0  0  0  0
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  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> (1,140)
1203

>  <Formula> (1,140)
C14H12N2O3S2

>  <MolWeight> (1,140)
320.38668

>  <Cat> (1,140)
P3430

>  <Name> (1,140)
WAY-602219

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
Trypanosoma brucei hexokinase 

>  <Form> (1,140)
free base

>  <CAS> (1,140)
378197-09-2

>  <URL> (1,140)
N/A

$$$$
WAY-602746
csChFnd80/06102009162D

 25 28  0  0  0  0  0  0  0  0999 V2000
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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
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 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> (1,141)
1204

>  <Formula> (1,141)
C20H16N4O

>  <MolWeight> (1,141)
328.36724

>  <Cat> (1,141)
P3431

>  <Name> (1,141)
WAY-602746

>  <Synonyms> (1,141)
N/A

>  <Target> (1,141)
ROS 

>  <Form> (1,141)
free base

>  <CAS> (1,141)
370096-57-4

>  <URL> (1,141)
N/A

$$$$
WAY-603264
csChFnd80/06102009162D

 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> (1,142)
1205

>  <Formula> (1,142)
C8H12N2OS

>  <MolWeight> (1,142)
184.25868

>  <Cat> (1,142)
P3432

>  <Name> (1,142)
WAY-603264

>  <Synonyms> (1,142)
N/A

>  <Target> (1,142)
adenosine kinase

>  <Form> (1,142)
free base

>  <CAS> (1,142)
58350-40-6

>  <URL> (1,142)
N/A

$$$$
WAY-603359
csChFnd80/06102009162D

 16 17  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  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> (1,143)
1206

>  <Formula> (1,143)
C10H12ClN3O2

>  <MolWeight> (1,143)
241.67418

>  <Cat> (1,143)
P3433

>  <Name> (1,143)
WAY-603359

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
p38

>  <Form> (1,143)
free base

>  <CAS> (1,143)
329268-90-8

>  <URL> (1,143)
N/A

$$$$
WAY-634931
csChFnd80/06102009162D

 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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  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,144)
1207

>  <Formula> (1,144)
C10H14O2

>  <MolWeight> (1,144)
166.21696

>  <Cat> (1,144)
P3482

>  <Name> (1,144)
WAY-634931

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (1,144)
free base

>  <CAS> (1,144)
82683-51-0

>  <URL> (1,144)
N/A

$$$$
WAY-634964
csChFnd80/06102009162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    1.1542    2.2458    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 12  1  0  0  0  0
  5  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  2  0  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  2  0  0  0  0
  4  5  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,145)
1208

>  <Formula> (1,145)
C9H7N3O2

>  <MolWeight> (1,145)
189.17078

>  <Cat> (1,145)
P3483

>  <Name> (1,145)
WAY-634964

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
tyrosine kinase

>  <Form> (1,145)
free base

>  <CAS> (1,145)
157842-34-7

>  <URL> (1,145)
N/A

$$$$
WAY-634704
csChFnd80/06102009162D

 22 23  0  0  0  0  0  0  0  0999 V2000
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Aurora kinase A

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free base

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781619-26-9

>  <URL> (1,146)
N/A

$$$$
WAY-635109
csChFnd80/06102009162D

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WAY-635109

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
B-Raf

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free base

>  <CAS> (1,147)
781622-25-1

>  <URL> (1,147)
N/A

$$$$
WAY-635114
csChFnd80/06102009162D

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>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
B-Raf

>  <Form> (1,148)
free base

>  <CAS> (1,148)
781622-52-4

>  <URL> (1,148)
N/A

$$$$
WAY-635319
csChFnd80/06102009162D

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1212

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WAY-635319

>  <Synonyms> (1,149)
N/A

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CDK

>  <Form> (1,149)
free base

>  <CAS> (1,149)
763098-07-3

>  <URL> (1,149)
N/A

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (1,150)
1213

>  <Formula> (1,150)
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>  <MolWeight> (1,150)
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>  <Cat> (1,150)
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>  <Name> (1,150)
Aurora Kinase Inhibitor III

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
Aurora Kinase

>  <Form> (1,150)
Free Base

>  <CAS> (1,150)
879127-16-9

>  <URL> (1,150)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$

csChFnd80/06102009162D

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2137030-98-7

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http://www.selleck.cn/products/ensartinib-dihydrochloride.html

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csChFnd80/06102009162D

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1215

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C21H16F3N3O3

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415.3652496

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S6526

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SKLB 610

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
VEGFR

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Free Base

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1125780-41-7

>  <URL> (1,152)
http://www.selleck.cn/products/sklb610.html

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csChFnd80/06102009162D

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1216

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C18H24N6O

>  <MolWeight> (1,153)
340.42276

>  <Cat> (1,153)
S6531

>  <Name> (1,153)
Bohemine

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
CDK

>  <Form> (1,153)
Free Base

>  <CAS> (1,153)
189232-42-6

>  <URL> (1,153)
http://www.selleck.cn/products/bohemine.html

$$$$

csChFnd80/06102009162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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1217

>  <Formula> (1,154)
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>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
LRRK2

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>  <CAS> (1,154)
1191911-27-9

>  <URL> (1,154)
http://www.selleck.cn/products/czc-54252.html

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1453208-66-6

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EGFR

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Free Base

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153436-54-5

>  <URL> (1,156)
http://www.selleck.cn/products/pd153035.html

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CDK

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1702809-17-3

>  <URL> (1,157)
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TLR

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509093-47-4

>  <URL> (1,158)
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>  <Mol_ID> (1,159)
1223

>  <Formula> (1,159)
C22H21BrCl2N6O

>  <MolWeight> (1,159)
536.25174

>  <Cat> (1,159)
S6619

>  <Name> (1,159)
ABT 702 dihydrochloride

>  <Synonyms> (1,159)
N/A

>  <Target> (1,159)
Adenosine Receptor

>  <Form> (1,159)
Dihydrochloride

>  <CAS> (1,159)
1188890-28-9

>  <URL> (1,159)
http://www.selleck.cn/products/abt-702-dihydrochloride.html

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csChFnd80/06102009162D

 25 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,160)
1224

>  <Formula> (1,160)
C17H16N8

>  <MolWeight> (1,160)
332.36254

>  <Cat> (1,160)
S6623

>  <Name> (1,160)
APY29

>  <Synonyms> (1,160)
N/A

>  <Target> (1,160)
IRE1

>  <Form> (1,160)
Free Base

>  <CAS> (1,160)
1216665-49-4

>  <URL> (1,160)
http://www.selleck.cn/products/apy29.html

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csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,161)
1225

>  <Formula> (1,161)
C18H13ClF2N6O

>  <MolWeight> (1,161)
402.7852264

>  <Cat> (1,161)
S6636

>  <Name> (1,161)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (1,161)
N/A

>  <Target> (1,161)
ROCK

>  <Form> (1,161)
Free Base

>  <CAS> (1,161)
867017-68-3

>  <URL> (1,161)
http://www.selleck.cn/products/azaindole-1.html

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csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,162)
1226

>  <Formula> (1,162)
C18H17BrN2O3

>  <MolWeight> (1,162)
389.24318

>  <Cat> (1,162)
S6710

>  <Name> (1,162)
SGC-GAK-1

>  <Synonyms> (1,162)
N/A

>  <Target> (1,162)
CDK

>  <Form> (1,162)
Free Base

>  <CAS> (1,162)
2226517-76-4

>  <URL> (1,162)
http://www.selleck.cn/products/sgc-gak-1.html

$$$$

csChFnd80/06102009162D

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1227

>  <Formula> (1,163)
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S6711

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IQ-1S

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JNK

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Free Base

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23146-22-7

>  <URL> (1,163)
http://www.selleck.cn/products/iq-1s.html

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1874276-76-2

>  <URL> (1,164)
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1229

>  <Formula> (1,165)
C22H21N5O

>  <MolWeight> (1,165)
371.43504

>  <Cat> (1,165)
S6725

>  <Name> (1,165)
PCI 29732

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
BTK

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Free Base

>  <CAS> (1,165)
330786-25-9

>  <URL> (1,165)
http://www.selleck.cn/products/pci-29732.html

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csChFnd80/06102009162D

 26 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,166)
1230

>  <Formula> (1,166)
C21H23ClFNO2

>  <MolWeight> (1,166)
375.8642232

>  <Cat> (1,166)
S6727

>  <Name> (1,166)
AX-024 HCl

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
CDK

>  <Form> (1,166)
Hydrochloride

>  <CAS> (1,166)
1704801-24-0

>  <URL> (1,166)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/06102009162D

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1231

>  <Formula> (1,167)
C22H25ClN6O

>  <MolWeight> (1,167)
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>  <Cat> (1,167)
S6730

>  <Name> (1,167)
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>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
JNK

>  <Form> (1,167)
Hydrochloride

>  <CAS> (1,167)
1438391-30-0

>  <URL> (1,167)
http://www.selleck.cn/products/cc-401-hydrochloride.html

$$$$

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2230820-11-6

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1448169-71-8

>  <URL> (1,174)
http://www.selleck.cn/products/tas-120.html

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>  <URL> (1,175)
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S9190

>  <Name> (1,179)
Oroxin B

>  <Form> (1,179)
free base

>  <CAS> (1,179)
114482-86-9

$$$$

csChFnd80/06102009162D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  3 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,180)
1246

>  <Formula> (1,180)
C16H11N3O2

>  <MolWeight> (1,180)
277.27744

>  <Cat> (1,180)
S2009

>  <Name> (1,180)
Indirubin-3'-monoxime

>  <Synonyms> (1,180)
Indirubin-3'-oxime

>  <Target> (1,180)
CDK

>  <Form> (1,180)
Free Base

>  <CAS> (1,180)
160807-49-8

>  <URL> (1,180)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$

csChFnd80/06102009162D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  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
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  2 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,181)
1247

>  <Formula> (1,181)
C20H20N4O3S

>  <MolWeight> (1,181)
396.4628

>  <Cat> (1,181)
S2039

>  <Name> (1,181)
IRAK inhibitor 6

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
IL Receptor

>  <Form> (1,181)
Free Base

>  <CAS> (1,181)
1042672-97-8

>  <URL> (1,181)
http://www.selleck.cn/products/irak-inhibitor-6.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/06102009162D

 20 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
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  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
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 15 18  1  1  0  0  0
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 16 19  1  6  0  0  0
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M  END
>  <Mol_ID> (1,182)
1248

>  <Formula> (1,182)
C10H13N5O5

>  <MolWeight> (1,182)
283.24072

>  <Cat> (1,182)
S9275

>  <Name> (1,182)
Isoguanosine

>  <Form> (1,182)
free base

>  <CAS> (1,182)
1818-71-9

$$$$

csChFnd80/06102009162D

 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
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    0.0000    0.5124    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
 19  3  2  0  0  0  0
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 16 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,183)
1249

>  <Formula> (1,183)
C19H21N3O2S

>  <MolWeight> (1,183)
355.45394

>  <Cat> (1,183)
S2070

>  <Name> (1,183)
ISCK03

>  <Synonyms> (1,183)
N-(4-imidazol-1-yl phenyl)sulfonamide

>  <Target> (1,183)
c-Kit

>  <Form> (1,183)
Free Base

>  <CAS> (1,183)
945526-43-2

>  <URL> (1,183)
http://www.selleck.cn/products/isck03.html

$$$$
S5617 Myristic Acid.cdx
csChFnd80/06102009162D

 16 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,184)
1250

>  <Formula> (1,184)
C14H28O2

>  <MolWeight> (1,184)
228.37092

>  <Cat> (1,184)
S5617

>  <Name> (1,184)
Myristic Acid

>  <Form> (1,184)
free base

>  <CAS> (1,184)
544-63-8

$$$$
S9376 Benzylacetone.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,185)
1252

>  <Formula> (1,185)
C10H12O

>  <MolWeight> (1,185)
148.20168

>  <Cat> (1,185)
S9376

>  <Name> (1,185)
Benzylacetone

>  <Form> (1,185)
free base

>  <CAS> (1,185)
2550-26-7

$$$$

csChFnd80/06102009162D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0262    2.8354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  1  0  0  0  0
 11 17  1  0  0  0  0
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 13 20  2  0  0  0  0
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 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 23  1  0  0  0  0
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 21 22  1  0  0  0  0
 26 24  1  0  0  0  0
 25 23  2  0  0  0  0
  5  7  1  0  0  0  0
 19 20  1  0  0  0  0
 13 10  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,186)
1253

>  <Formula> (1,186)
C20H18N2O4S

>  <MolWeight> (1,186)
382.43292

>  <Cat> (1,186)
S5807

>  <Name> (1,186)
HMN-176

>  <Synonyms> (1,186)
N/A

>  <Target> (1,186)
Others

>  <Form> (1,186)
Free Base

>  <CAS> (1,186)
173529-10-7

>  <URL> (1,186)
http://www.selleckchem.com/products/hmn-176.html

$$$$

csChFnd80/06102009162D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  6  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 20  4  1  0  0  0  0
  4 23  1  1  0  0  0
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 13  5  1  0  0  0  0
  5 33  1  6  0  0  0
 10  6  1  0  0  0  0
  8  6  1  0  0  0  0
  6 32  1  1  0  0  0
 14  7  1  0  0  0  0
 15  7  1  0  0  0  0
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 16  8  1  0  0  0  0
 17  8  1  0  0  0  0
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 14  9  1  0  0  0  0
 18 10  1  0  0  0  0
 10 26  1  1  0  0  0
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 16 11  1  0  0  0  0
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 25 15  1  0  0  0  0
 15 28  1  6  0  0  0
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 18 30  1  6  0  0  0
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 27 20  1  0  0  0  0
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 25 34  1  1  0  0  0
 36 28  1  0  0  0  0
 24 37  2  0  0  0  0
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M  END
>  <Mol_ID> (1,187)
1254

>  <Formula> (1,187)
C30H48O5

>  <MolWeight> (1,187)
488.69912

>  <Cat> (1,187)
S9514

>  <Name> (1,187)
Rotundic acid

>  <Synonyms> (1,187)
Rutundic acid

>  <Target> (1,187)
Others

>  <Form> (1,187)
Free Base

>  <CAS> (1,187)
20137-37-5

>  <URL> (1,187)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/06102009162D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
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  6  9  2  0  0  0  0
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 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,188)
1255

>  <Formula> (1,188)
C10H10O2

>  <MolWeight> (1,188)
162.1852

>  <Cat> (1,188)
S6221

>  <Name> (1,188)
Methyl cinnamate

>  <Synonyms> (1,188)
N/A

>  <Target> (1,188)
Others

>  <Form> (1,188)
free base

>  <CAS> (1,188)
103-26-4

>  <URL> (1,188)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/06102009162D

 23 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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 13 14  1  0  0  0  0
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 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,189)
1256

>  <Formula> (1,189)
C17H16BrN3O2

>  <MolWeight> (1,189)
374.23184

>  <Cat> (1,189)
S6530

>  <Name> (1,189)
EBE-A22

>  <Synonyms> (1,189)
N/A

>  <Target> (1,189)
Others

>  <Form> (1,189)
Free Base

>  <CAS> (1,189)
229476-53-3

>  <URL> (1,189)
http://www.selleck.cn/products/ebe-a22.html

$$$$

csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 21 24  1  0  0  0  0
  5  9  1  0  0  0  0
  7 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,195)
1262

>  <Formula> (1,195)
C18H18N2O3

>  <MolWeight> (1,195)
310.34712

>  <Cat> (1,195)
S6514

>  <Name> (1,195)
SU5408

>  <Synonyms> (1,195)
VEGFR2 Kinase Inhibitor I 

>  <Target> (1,195)
VEGFR

>  <Form> (1,195)
Free Base

>  <CAS> (1,195)
15966-93-5

>  <URL> (1,195)
http://www.selleck.cn/products/su5408.html

$$$$
Quercetin dihydrate.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,196)
1264

>  <Formula> (1,196)
C15H14O9

>  <MolWeight> (1,196)
338.26626

>  <Cat> (1,196)
S2347

>  <Name> (1,196)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (1,196)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (1,196)
Others

>  <Form> (1,196)
Dihydrate

>  <CAS> (1,196)
6151-25-3

>  <URL> (1,196)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Danthron.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,197)
1265

>  <Formula> (1,197)
C14H8O4

>  <MolWeight> (1,197)
240.21092

>  <Cat> (1,197)
S4561

>  <Name> (1,197)
Danthron

>  <Synonyms> (1,197)
chrysazin, Antrapurol

>  <Target> (1,197)
Others

>  <Form> (1,197)
Free Base

>  <CAS> (1,197)
117-10-2

>  <URL> (1,197)
http://www.selleckchem.com/products/danthron.html

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,198)
1266

>  <Formula> (1,198)
C15H14O3

>  <MolWeight> (1,198)
242.26986

>  <Cat> (1,198)
S3939

>  <Name> (1,198)
4'-Methoxyresveratrol

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
Others

>  <Form> (1,198)
free base

>  <CAS> (1,198)
33626-08-3

>  <URL> (1,198)
http://www.selleckchem.com/products/4-methoxyresveratrol.html

$$$$
S3783 Echinacoside.cdx
csChFnd80/06102009162D

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 53 55  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
1267

>  <Formula> (1,199)
C35H46O20

>  <MolWeight> (1,199)
786.72774

>  <Cat> (1,199)
S3783

>  <Name> (1,199)
Echinacoside

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
Others

>  <Form> (1,199)
free base

>  <CAS> (1,199)
82854-37-3

>  <URL> (1,199)
http://www.selleckchem.com/products/echinacoside.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/06102009162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,200)
1268

>  <Formula> (1,200)
C18H16O7

>  <MolWeight> (1,200)
344.31544

>  <Cat> (1,200)
S4953

>  <Name> (1,200)
Usnic acid

>  <Synonyms> (1,200)
Usniacin

>  <Target> (1,200)
Others

>  <Form> (1,200)
free base

>  <CAS> (1,200)
125-46-2

>  <URL> (1,200)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/06102009162D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,201)
1269

>  <Formula> (1,201)
C32H40O8

>  <MolWeight> (1,201)
552.6552

>  <Cat> (1,201)
S3832

>  <Name> (1,201)
Euphorbiasteroid

>  <Synonyms> (1,201)
Euphorbia factor L1

>  <Target> (1,201)
Others

>  <Form> (1,201)
free base

>  <CAS> (1,201)
28649-59-4

>  <URL> (1,201)
http://selleckchem.com/products/euphorbiasteroid.html

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/06102009162D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,202)
1270

>  <Formula> (1,202)
C18H23N5NaO8P

>  <MolWeight> (1,202)
491.367451

>  <Cat> (1,202)
S7858

>  <Name> (1,202)
Dibutyryl-cAMP (Bucladesine)

>  <Synonyms> (1,202)
dbcAMP

>  <Target> (1,202)
PKA

>  <Form> (1,202)
sodium salt

>  <CAS> (1,202)
16980-89-5

>  <URL> (1,202)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

$$$$
8-Bromo-cAMP.cdx
csChFnd80/06102009162D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
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1271

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C10H10BrN5NaO6P

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430.083831

>  <Cat> (1,203)
S7857

>  <Name> (1,203)
8-Bromo-cAMP

>  <Synonyms> (1,203)
N/A

>  <Target> (1,203)
PKA

>  <Form> (1,203)
sodium salt

>  <CAS> (1,203)
76939-46-3

>  <URL> (1,203)
http://www.selleckchem.com/products/8-bromo-camp.html

$$$$

csChFnd80/06102009162D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,204)
1273

>  <Formula> (1,204)
C22H20N4O

>  <MolWeight> (1,204)
356.4204

>  <Cat> (1,204)
S1058

>  <Name> (1,204)
BI-1347

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
CDK

>  <Form> (1,204)
Free Base

>  <CAS> (1,204)
2163056-91-3

>  <URL> (1,204)
http://www.selleck.cn/products/bi-1347.html

$$$$

csChFnd80/06102009162D

 37 41  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  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
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 15 20  1  0  0  0  0
 22 23  1  0  0  0  0
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 29 30  1  0  0  0  0
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 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
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 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
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  1 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,205)
1274

>  <Formula> (1,205)
C25H27N7O3S2

>  <MolWeight> (1,205)
537.65698

>  <Cat> (1,205)
S1099

>  <Name> (1,205)
SKLB4771 /FLT3-IN-1

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
FLT3

>  <Form> (1,205)
Free Base

>  <CAS> (1,205)
1370256-78-2

>  <URL> (1,205)
http://www.selleck.cn/products/sklb4771-flt3-in1.html

$$$$

csChFnd80/06102009162D

 34 37  0  0  0  0  0  0  0  0999 V2000
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   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
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  1  2  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 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
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M  END
>  <Mol_ID> (1,206)
1275

>  <Formula> (1,206)
C22H25FN6O4S

>  <MolWeight> (1,206)
488.5351032

>  <Cat> (1,206)
S2002

>  <Name> (1,206)
CZC-25146

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
LRRK2

>  <Form> (1,206)
Free Base

>  <CAS> (1,206)
1191911-26-8

>  <URL> (1,206)
http://www.selleck.cn/products/czc-25146.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/06102009162D

 20 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,207)
1276

>  <Formula> (1,207)
C6H6Na3O9P

>  <MolWeight> (1,207)
322.049511

>  <Cat> (1,207)
S5115

>  <Name> (1,207)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (1,207)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (1,207)
Others

>  <Form> (1,207)
sodium salt

>  <CAS> (1,207)
66170-10-3

>  <URL> (1,207)
http://www.selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
S5383 Erucic acid.cdx
csChFnd80/06102009162D

 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
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M  END
>  <Mol_ID> (1,208)
1277

>  <Formula> (1,208)
C22H42O2

>  <MolWeight> (1,208)
338.56768

>  <Cat> (1,208)
S5383

>  <Name> (1,208)
Erucic acid

>  <Synonyms> (1,208)
cis-13-docosenoic acid

>  <Target> (1,208)
Others

>  <Form> (1,208)
free base

>  <CAS> (1,208)
112-86-7

>  <URL> (1,208)
http://selleckchem.com/products/erucic-acid.html

$$$$
S5588 Creatine.cdx
csChFnd80/06102009162D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,209)
1278

>  <Formula> (1,209)
C4H9N3O2

>  <MolWeight> (1,209)
131.13316

>  <Cat> (1,209)
S5588

>  <Name> (1,209)
Creatine

>  <Synonyms> (1,209)
Methylguanidoacetic acid

>  <Target> (1,209)
Others

>  <Form> (1,209)
free base

>  <CAS> (1,209)
57-00-1

>  <URL> (1,209)
http://selleckchem.com/products/creatine.html

$$$$
S9114 Polyphyllin I.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,210)
1279

>  <Formula> (1,210)
C44H70O16

>  <MolWeight> (1,210)
855.017

>  <Cat> (1,210)
S9114

>  <Name> (1,210)
Polyphyllin I

>  <Form> (1,210)
free base

>  <CAS> (1,210)
50773-41-6

$$$$

csChFnd80/06102009162D

 37 40  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (1,211)
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Raf

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>  <CAS> (1,211)
1191385-19-9

>  <URL> (1,211)
http://www.selleck.cn/products/b-raf-inhibitor-1-dihydrochlorid.html

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N/A

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FLT3

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Free Base

>  <CAS> (1,212)
630124-46-8

>  <URL> (1,212)
http://www.selleck.cn/products/ast-487.html

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C23H19ClF2N2O3

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CCG-222740

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
Rho

>  <Form> (1,213)
Free Base

>  <CAS> (1,213)
1922098-69-8

>  <URL> (1,213)
http://www.selleck.cn/products/ccg-222740.html

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csChFnd80/06102009162D

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Raf

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303727-31-3

>  <URL> (1,214)
http://www.selleck.cn/products/l-779450.html

$$$$

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M  END
>  <Mol_ID> (1,215)
1284

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C23H21N5O

>  <MolWeight> (1,215)
383.44574

>  <Cat> (1,215)
S8500

>  <Name> (1,215)
BAY1125976

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
Akt

>  <Form> (1,215)
Free Base

>  <CAS> (1,215)
1402608-02-9

>  <URL> (1,215)
http://www.selleck.cn/products/bay1125976.html

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (1,216)
1285

>  <Formula> (1,216)
C26H21F2N5O2S

>  <MolWeight> (1,216)
505.5390464

>  <Cat> (1,216)
S8882

>  <Name> (1,216)
ODM-203

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
FGFR

>  <Form> (1,216)
Free Base

>  <CAS> (1,216)
1430723-35-5

>  <URL> (1,216)
http://www.selleck.cn/products/odm-203.html

$$$$

csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,217)
1286

>  <Formula> (1,217)
C21H23N4O7PS2

>  <MolWeight> (1,217)
538.533681

>  <Cat> (1,217)
S8927

>  <Name> (1,217)
GSK2983559 (compound 3)

>  <Synonyms> (1,217)
RIP2 kinase inhibitor 1,RIPK2-IN-1

>  <Target> (1,217)
RIP

>  <Form> (1,217)
Free Base

>  <CAS> (1,217)
1579965-12-0

>  <URL> (1,217)
http://www.selleck.cn/products/gsk2983559-compound-3.html

$$$$

csChFnd80/06102009162D

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>  <Mol_ID> (1,218)
1287

>  <Formula> (1,218)
C33H40O18

>  <MolWeight> (1,218)
724.6599

>  <Cat> (1,218)
S9096

>  <Name> (1,218)
ligustroflavone

>  <Synonyms> (1,218)
Nuezhenoside

>  <Target> (1,218)
AMPK

>  <Form> (1,218)
Free Base

>  <CAS> (1,218)
260413-62-5

>  <URL> (1,218)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/06102009162D

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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (1,219)
1288

>  <Formula> (1,219)
C29H28F3N5O2

>  <MolWeight> (1,219)
535.5601296

>  <Cat> (1,219)
S2213

>  <Name> (1,219)
AMG-47a

>  <Synonyms> (1,219)
N/A

>  <Target> (1,219)
Src

>  <Form> (1,219)
Free Base

>  <CAS> (1,219)
882663-88-9

>  <URL> (1,219)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,220)
1289

>  <Formula> (1,220)
C17H15NO3

>  <MolWeight> (1,220)
281.3059

>  <Cat> (1,220)
S2272

>  <Name> (1,220)
Indoprofen

>  <Synonyms> (1,220)
N/A

>  <Target> (1,220)
PDK

>  <Form> (1,220)
Free Base

>  <CAS> (1,220)
31842-01-0

>  <URL> (1,220)
http://www.selleck.cn/products/indoprofen.html

$$$$
Diosmetin.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,221)
1290

>  <Formula> (1,221)
C16H12O6

>  <MolWeight> (1,221)
300.26288

>  <Cat> (1,221)
S2380

>  <Name> (1,221)
Diosmetin (Luteolin 4-methyl ether)

>  <Synonyms> (1,221)
Luteolin 4-methyl ether

>  <Target> (1,221)
P450 (e.g. CYP17)

>  <Form> (1,221)
Free Base

>  <CAS> (1,221)
520-34-3

>  <URL> (1,221)
http://www.selleckchem.com/products/Diosmetin(Luteolin-4-methyl-ether).html

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/06102009162D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,222)
1291

>  <Formula> (1,222)
C11H18ClNO3

>  <MolWeight> (1,222)
247.71852

>  <Cat> (1,222)
S2566

>  <Name> (1,222)
Isoprenaline hydrochloride

>  <Synonyms> (1,222)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (1,222)
Adrenergic Receptor

>  <Form> (1,222)
Hydrochloride

>  <CAS> (1,222)
51-30-9

>  <URL> (1,222)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

$$$$
LY2608204.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,223)
1292

>  <Formula> (1,223)
C28H37N3O3S3

>  <MolWeight> (1,223)
559.80668

>  <Cat> (1,223)
S2155

>  <Name> (1,223)
LY2608204

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
Others

>  <Form> (1,223)
Free Base

>  <CAS> (1,223)
1234703-40-2

>  <URL> (1,223)
http://www.selleckchem.com/products/ly2608204.html

$$$$
Acarbose.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,224)
1293

>  <Formula> (1,224)
C25H43NO18

>  <MolWeight> (1,224)
645.60482

>  <Cat> (1,224)
S1271

>  <Name> (1,224)
Acarbose

>  <Synonyms> (1,224)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (1,224)
Others

>  <Form> (1,224)
Free Base

>  <CAS> (1,224)
56180-94-0

>  <URL> (1,224)
http://www.selleckchem.com/products/Acarbose.html

$$$$
Melatonin.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,225)
1294

>  <Formula> (1,225)
C13H16N2O2

>  <MolWeight> (1,225)
232.27834

>  <Cat> (1,225)
S1204

>  <Name> (1,225)
Melatonin

>  <Synonyms> (1,225)
Melatonex

>  <Target> (1,225)
MT Receptor

>  <Form> (1,225)
Free Base

>  <CAS> (1,225)
73-31-4

>  <URL> (1,225)
http://www.selleckchem.com/products/Melatonin.html

$$$$
Flufenamic acid.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,226)
1295

>  <Formula> (1,226)
C14H10F3NO2

>  <MolWeight> (1,226)
281.2299096

>  <Cat> (1,226)
S4268

>  <Name> (1,226)
Flufenamic acid

>  <Synonyms> (1,226)
N/A

>  <Target> (1,226)
COX

>  <Form> (1,226)
Free Base

>  <CAS> (1,226)
530-78-9

>  <URL> (1,226)
http://www.selleckchem.com/products/flufenamic-acid.html

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,227)
1296

>  <Formula> (1,227)
C44H69NO12

>  <MolWeight> (1,227)
804.01816

>  <Cat> (1,227)
S5003

>  <Name> (1,227)
Tacrolimus (FK506)

>  <Synonyms> (1,227)
FR900506

>  <Target> (1,227)
mTOR

>  <Form> (1,227)
Free Base

>  <CAS> (1,227)
104987-11-3

>  <URL> (1,227)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$

csChFnd80/06102009162D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.2532    2.2514    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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  1  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  1  9  2  0  0  0  0
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 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,228)
1297

>  <Formula> (1,228)
C20H30N4O2

>  <MolWeight> (1,228)
358.4778

>  <Cat> (1,228)
S1024

>  <Name> (1,228)
LTI-291

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
Others

>  <Form> (1,228)
Free Base

>  <CAS> (1,228)
1919820-28-2

>  <URL> (1,228)
http://www.selleck.cn/products/lti-291.html

$$$$
S3626 Sesamol.cdx
csChFnd80/06102009162D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6251    0.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9535    0.2497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7843    1.3766    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
  4  8  2  0  0  0  0
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  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,229)
1298

>  <Formula> (1,229)
C7H6O3

>  <MolWeight> (1,229)
138.12074

>  <Cat> (1,229)
S3626

>  <Name> (1,229)
Sesamol

>  <Synonyms> (1,229)
1,3-Benzodioxol-5-ol, 3,4-Methylenedioxyphenol

>  <Target> (1,229)
Others

>  <Form> (1,229)
free base

>  <CAS> (1,229)
533-31-3

>  <URL> (1,229)
http://www.selleckchem.com/products/sesamol.html

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/06102009162D

 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
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    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
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    7.3935    3.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  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
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 19  6  2  0  0  0  0
  7  8  1  0  0  0  0
 11  7  1  0  0  0  0
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 20  8  2  0  0  0  0
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M  END
>  <Mol_ID> (1,230)
1299

>  <Formula> (1,230)
C19H17NaO6S

>  <MolWeight> (1,230)
396.38945

>  <Cat> (1,230)
S3766

>  <Name> (1,230)
Tanshinone IIA sulfonate (sodium)

>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
CYP3A4

>  <Form> (1,230)
sodium salt

>  <CAS> (1,230)
69659-80-9

>  <URL> (1,230)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

$$$$
S3918 4',7-Dimethoxy-5-Hydroxyflavone.cdx
csChFnd80/06102009162D

 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
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    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
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 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  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
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  7 11  2  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (1,231)
1300

>  <Formula> (1,231)
C17H14O5

>  <MolWeight> (1,231)
298.29006

>  <Cat> (1,231)
S3918

>  <Name> (1,231)
4',7-Dimethoxy-5-Hydroxyflavone

>  <Synonyms> (1,231)
apigenin dimethylether; apigenin 7,4'-dimethyl ether; genkwanin 4'-methyl ether

>  <Target> (1,231)
Others

>  <Form> (1,231)
free base

>  <CAS> (1,231)
5128-44-9

>  <URL> (1,231)
http://www.selleckchem.com/products/4-7-dimethoxy-5-hydroxyflavone.html

$$$$
S3980 Pyridoxine.cdx
csChFnd80/06102009162D

 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
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    0.0000    2.1133    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
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  2  6  1  0  0  0  0
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,232)
1301

>  <Formula> (1,232)
C8H11NO3

>  <MolWeight> (1,232)
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Pyridoxine

>  <Synonyms> (1,232)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (1,232)
Others

>  <Form> (1,232)
free base

>  <CAS> (1,232)
65-23-6

>  <URL> (1,232)
http://www.selleckchem.com/products/pyridoxine.html

$$$$
STATTIC.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (1,233)
1302

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C8H5NO4S

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211.1946

>  <Cat> (1,233)
S7024

>  <Name> (1,233)
Stattic

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N/A

>  <Target> (1,233)
STAT

>  <Form> (1,233)
Free Base

>  <CAS> (1,233)
19983-44-9

>  <URL> (1,233)
http://www.selleckchem.com/products/stattic.html

$$$$
ZCL 278.cdx
csChFnd80/06102009162D

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1303

>  <Formula> (1,234)
C21H19BrClN5O4S2

>  <MolWeight> (1,234)
584.89366

>  <Cat> (1,234)
S7293

>  <Name> (1,234)
ZCL 278

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
Rho

>  <Form> (1,234)
Free Base

>  <CAS> (1,234)
587841-73-4

>  <URL> (1,234)
http://www.selleckchem.com/products/zcl278.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/06102009162D

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>  <Mol_ID> (1,235)
1304

>  <Formula> (1,235)
C17H22Cl2N2O3S

>  <MolWeight> (1,235)
405.33918

>  <Cat> (1,235)
S7333

>  <Name> (1,235)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
Rho

>  <Form> (1,235)
Free Base

>  <CAS> (1,235)
No

>  <URL> (1,235)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
WS6 .cdx
csChFnd80/06102009162D

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>  <Mol_ID> (1,236)
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>  <Formula> (1,236)
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I¦ÊB/IKK

>  <Form> (1,236)
Free Base

>  <CAS> (1,236)
1421227-53-3

>  <URL> (1,236)
http://www.selleckchem.com/products/ws6.html

$$$$
WS3.cdx
csChFnd80/06102009162D

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PHGDH

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free base

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1916571-90-8

>  <URL> (1,241)
http://www.selleckchem.com/products/nct-503.html

$$$$
Azoramide.cdx
csChFnd80/06102009162D

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Azoramide

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N/A

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UPR

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free base

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932986-18-0

>  <URL> (1,242)
http://www.selleckchem.com/products/azoramide.html

$$$$
LYN-1604.cdx
csChFnd80/06102009162D

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1312

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C33H45Cl4N3O2

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ULK1

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dihydrochloride

>  <CAS> (1,243)
2088939-99-3(free base)

>  <URL> (1,243)
http://www.selleckchem.com/products/lyn-1604.html

$$$$
S5084 Carbazochrome.cdx
csChFnd80/06102009162D

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Carbazochrome

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Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

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free base

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69-81-8

>  <URL> (1,244)
http://selleckchem.com/products/carbazochrome.html

$$$$
S5093 Rafoxanide.cdx
csChFnd80/06102009162D

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Disalan, Ranide, Flukanide, Bovanide

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Anti-infection

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free base

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22662-39-1

>  <URL> (1,245)
http://selleckchem.com/products/rafoxanide.html

$$$$
AS1517499.cdx
csChFnd80/06102009162D

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M  END
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1315

>  <Formula> (1,246)
C20H20ClN5O2

>  <MolWeight> (1,246)
397.8581

>  <Cat> (1,246)
S8685

>  <Name> (1,246)
AS1517499

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
STAT

>  <Form> (1,246)
free base

>  <CAS> (1,246)
919486-40-1

>  <URL> (1,246)
http://selleckchem.com/products/as1517499.html

$$$$
S3792 Guggulsterone E&Z.cdx
csChFnd80/06102009162D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,247)
1316

>  <Formula> (1,247)
C21H28O2

>  <MolWeight> (1,247)
312.44582

>  <Cat> (1,247)
S3792

>  <Name> (1,247)
Guggulsterone E&Z

>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
FXR

>  <Form> (1,247)
free base

>  <CAS> (1,247)
95975-55-6

>  <URL> (1,247)
http://selleckchem.com/products/guggulsterone.html

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/06102009162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,248)
1317

>  <Formula> (1,248)
C10H6O4

>  <MolWeight> (1,248)
190.15224

>  <Cat> (1,248)
S9361

>  <Name> (1,248)
Coumarin-3-carboxylic acid

>  <Form> (1,248)
free base

>  <CAS> (1,248)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,249)
1318

>  <Formula> (1,249)
C10H14N5O7P

>  <MolWeight> (1,249)
347.221221

>  <Cat> (1,249)
S9366

>  <Name> (1,249)
5'-Adenylic acid

>  <Form> (1,249)
free base

>  <CAS> (1,249)
61-19-8

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/06102009162D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,250)
1319

>  <Formula> (1,250)
C6H13NO3

>  <MolWeight> (1,250)
147.17232

>  <Cat> (1,250)
S9393

>  <Name> (1,250)
(4S)-4-Hydroxy-L-isoleucine

>  <Form> (1,250)
free base

>  <CAS> (1,250)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/06102009162D

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53452-16-7

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>  <CAS> (1,260)
486-21-5

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free base

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14197-60-5

$$$$

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 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,262)
1331

>  <Formula> (1,262)
C24H29N5O3

>  <MolWeight> (1,262)
435.51876

>  <Cat> (1,262)
S8772

>  <Name> (1,262)
LY 3200882 

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
TGF-beta/Smad

>  <Form> (1,262)
Free Base

>  <CAS> (1,262)
1898283-02-7

>  <URL> (1,262)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 18 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,263)
1332

>  <Formula> (1,263)
C17H16O5

>  <MolWeight> (1,263)
300.30594

>  <Cat> (1,263)
S9552

>  <Name> (1,263)
Farrerol

>  <Synonyms> (1,263)
N/A

>  <Target> (1,263)
Others

>  <Form> (1,263)
Free Base

>  <CAS> (1,263)
24211-30-1

>  <URL> (1,263)
http://www.selleckchem.com/products/farrerol.html

$$$$

csChFnd80/06102009162D

 28 33  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 20 15  1  0  0  0  0
 16  1  1  0  0  0  0
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 28 23  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,264)
1333

>  <Formula> (1,264)
C18H12CrN3O6

>  <MolWeight> (1,264)
418.30048

>  <Cat> (1,264)
S6443

>  <Name> (1,264)
Chromium picolinate

>  <Synonyms> (1,264)
N/A

>  <Target> (1,264)
Others

>  <Form> (1,264)
Free Base

>  <CAS> (1,264)
14639-25-9

>  <URL> (1,264)
http://www.selleck.cn/products/chromium-picolinate.html

$$$$

csChFnd80/06102009162D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,265)
1334

>  <Formula> (1,265)
C12H12O2

>  <MolWeight> (1,265)
188.22248

>  <Cat> (1,265)
S6493

>  <Name> (1,265)
n-Butylidenephthalide

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
Others

>  <Form> (1,265)
free base

>  <CAS> (1,265)
551-08-6

>  <URL> (1,265)
http://www.selleck.cn/products/n-butylidenephthalide.html

$$$$

csChFnd80/06102009162D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,266)
1336

>  <Formula> (1,266)
C24H38N2O4

>  <MolWeight> (1,266)
418.56952

>  <Cat> (1,266)
S6496

>  <Name> (1,266)
Genz-123346 free base

>  <Synonyms> (1,266)
N/A

>  <Target> (1,266)
Others

>  <Form> (1,266)
free base

>  <CAS> (1,266)
491833-30-8

>  <URL> (1,266)
http://www.selleck.cn/products/genz-123346-free-base.html

$$$$

csChFnd80/06102009162D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,267)
1337

>  <Formula> (1,267)
C9H6OS3

>  <MolWeight> (1,267)
226.33834

>  <Cat> (1,267)
S6518

>  <Name> (1,267)
Desmethylanethol trithione

>  <Synonyms> (1,267)
ADT-OH

>  <Target> (1,267)
Others

>  <Form> (1,267)
free base

>  <CAS> (1,267)
18274-81-2

>  <URL> (1,267)
http://www.selleck.cn/products/desmethylanethol-trithione.html

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csChFnd80/06102009162D

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Serine/threonin kina

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free base

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2361659-62-1

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csChFnd80/06102009162D

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N/A

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P-gp

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Free Base

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108237-91-8

>  <URL> (1,273)
http://www.selleck.cn/products/rcgd423.html

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csChFnd80/06102009162D

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>  <Mol_ID> (1,274)
1344

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C27H29NO3

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S6713

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ITD-1

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N/A

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TGF-beta/Smad

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Free Base

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1099644-42-4

>  <URL> (1,274)
http://www.selleck.cn/products/itd-1.html

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csChFnd80/06102009162D

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C15H16N2O

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INH14

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N/A

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NF-¦ÊB

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Free Base

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200134-22-1

>  <URL> (1,275)
http://www.selleck.cn/products/inh14.html

$$$$

csChFnd80/06102009162D

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Histone Methyltransferase

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Free Base

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890190-22-4

>  <URL> (1,276)
http://www.selleck.cn/products/wdr5-0103.html

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   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
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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> (1,277)
1347

>  <Formula> (1,277)
C18H37NO2

>  <MolWeight> (1,277)
299.49188

>  <Cat> (1,277)
S2210

>  <Name> (1,277)
Sphingosine

>  <Synonyms> (1,277)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (1,277)
Others

>  <Form> (1,277)
Free Base

>  <CAS> (1,277)
123-78-4

>  <URL> (1,277)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/06102009162D

 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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   10.5108    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 34  1  0  0  0  0
 16 37  1  0  0  0  0
 37 38  1  6  0  0  0
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 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41 14  1  0  0  0  0
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 11 43  1  0  0  0  0
 43 44  1  6  0  0  0
 45 43  1  0  0  0  0
  2 46  1  0  0  0  0
 46 45  1  0  0  0  0
 16 47  1  1  0  0  0
  1 48  2  0  0  0  0
  1 49  1  0  0  0  0
 50 49  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
 53 54  1  1  0  0  0
 53 55  1  0  0  0  0
 55 56  1  6  0  0  0
 57 55  1  0  0  0  0
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 60 57  1  0  0  0  0
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M  END
>  <Mol_ID> (1,278)
1348

>  <Formula> (1,278)
C42H66O14

>  <MolWeight> (1,278)
794.96504

>  <Cat> (1,278)
S9116

>  <Name> (1,278)
Chikusetsusaponin Iva

>  <Synonyms> (1,278)
Calenduloside F

>  <Target> (1,278)
Immunology & Inflammation related

>  <Form> (1,278)
Free Base

>  <CAS> (1,278)
51415-02-2

>  <URL> (1,278)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/06102009162D

 59 64  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,279)
1349

>  <Formula> (1,279)
C42H72O13

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>  <Target> (1,279)
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>  <Form> (1,279)
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>  <CAS> (1,279)
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>  <URL> (1,279)
http://www.selleck.cn/products/20s-ginsenoside-rg2.html

$$$$

csChFnd80/06102009162D

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C45H73NO15

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868.05882

>  <Cat> (1,280)
S9145

>  <Name> (1,280)
Solamargine

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
P-gp

>  <Form> (1,280)
Free Base

>  <CAS> (1,280)
20311-51-7

>  <URL> (1,280)
http://www.selleck.cn/products/solamargine.html

$$$$

csChFnd80/06102009162D

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>  <Name> (1,281)
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>  <Synonyms> (1,281)
N/A

>  <Target> (1,281)
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>  <Form> (1,281)
Free Base

>  <CAS> (1,281)
63902-38-5

>  <URL> (1,281)
http://www.selleck.cn/products/pinoresinol-diglucoside.html

$$$$
WAY-311677
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>  <Synonyms> (1,282)
N/A

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FAK

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free base

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19948-85-7

>  <URL> (1,282)
N/A

$$$$
CL-243214
csChFnd80/06102009162D

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>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
others

>  <Form> (1,283)
free base

>  <CAS> (1,283)
333785-55-0

>  <URL> (1,283)
N/A

$$$$
WAY-312187
csChFnd80/06102009162D

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1354

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>  <Name> (1,284)
WAY-312187

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
Pim-1

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free base

>  <CAS> (1,284)
1609385-99-0

>  <URL> (1,284)
N/A

$$$$
WAY-230563
csChFnd80/06102009162D

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1355

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C17H12N2O2S

>  <MolWeight> (1,285)
308.35438

>  <Cat> (1,285)
P3758

>  <Name> (1,285)
WAY-230563

>  <Synonyms> (1,285)
N/A

>  <Target> (1,285)
serine/threonine kinase

>  <Form> (1,285)
free base

>  <CAS> (1,285)
93326-70-6

>  <URL> (1,285)
N/A

$$$$
WAY-235142
csChFnd80/06102009162D

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>  <Mol_ID> (1,286)
1356

>  <Formula> (1,286)
C17H18N2O

>  <MolWeight> (1,286)
266.33762

>  <Cat> (1,286)
P3701

>  <Name> (1,286)
WAY-235142

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
MtSk

>  <Form> (1,286)
free base

>  <CAS> (1,286)
380550-28-7

>  <URL> (1,286)
N/A

$$$$
WAY-311747
csChFnd80/06102009162D

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>  <Formula> (1,287)
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>  <MolWeight> (1,287)
287.35684

>  <Cat> (1,287)
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>  <Name> (1,287)
WAY-311747

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
MtSk

>  <Form> (1,287)
free base

>  <CAS> (1,287)
381671-40-5

>  <URL> (1,287)
N/A

$$$$
WAY-312484
csChFnd80/06102009162D

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M  END
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EGFR

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free base

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91769-08-3

>  <URL> (1,288)
N/A

$$$$
WAY-311753-A
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,289)
1359

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>  <MolWeight> (1,289)
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P3757

>  <Name> (1,289)
WAY-311753-A

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
tyrosine kinase

>  <Form> (1,289)
free base

>  <CAS> (1,289)
345615-74-9

>  <URL> (1,289)
N/A

$$$$
WAY-310586-A
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,290)
1360

>  <Formula> (1,290)
C16H16N4OS2

>  <MolWeight> (1,290)
344.45444

>  <Cat> (1,290)
P3777

>  <Name> (1,290)
WAY-310586-A

>  <Synonyms> (1,290)
N/A

>  <Target> (1,290)
TAOK2

>  <Form> (1,290)
free base

>  <CAS> (1,290)
315705-95-4

>  <URL> (1,290)
N/A

$$$$
WAY-115880
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,291)
1361

>  <Formula> (1,291)
C16H22N2O2S

>  <MolWeight> (1,291)
306.42308

>  <Cat> (1,291)
P3756

>  <Name> (1,291)
WAY-115880

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
FLT3

>  <Form> (1,291)
free base

>  <CAS> (1,291)
142995-02-6

>  <URL> (1,291)
N/A

$$$$
WAY-297848
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,292)
1362

>  <Formula> (1,292)
C13H13ClN2O2S

>  <MolWeight> (1,292)
296.77252

>  <Cat> (1,292)
P3755

>  <Name> (1,292)
WAY-297848

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
glucokinase

>  <Form> (1,292)
free base

>  <CAS> (1,292)
404360-27-6

>  <URL> (1,292)
N/A

$$$$
GI-568769
csChFnd80/06102009162D

 18 20  0  0  0  0  0  0  0  0999 V2000
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p90 Ribosomal S6 Protein Kinase 2

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free base

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62001-32-5

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N/A

$$$$
WAY-298129
csChFnd80/06102009162D

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>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

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free base

>  <CAS> (1,294)
719277-26-6

>  <URL> (1,294)
N/A

$$$$
WAY-299338
csChFnd80/06102009162D

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C17H16N2O3S

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WAY-299338

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
PDK1

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free base

>  <CAS> (1,295)
1005044-23-4

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N/A

$$$$
WAY-322454
csChFnd80/06102009162D

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C17H20N4O2

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WAY-322454

>  <Synonyms> (1,296)
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GRK6

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free base

>  <CAS> (1,296)
1008244-02-7

>  <URL> (1,296)
N/A

$$$$
WAY-119064
csChFnd80/06102009162D

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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
csChFnd80/06102009162D

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WAY-215718

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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
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,299)
1369

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C12H13N3O2

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>  <Name> (1,299)
WAY-300046

>  <Synonyms> (1,299)
N/A

>  <Target> (1,299)
LtaS,herpes simplex viruses thymidine kinase

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free base

>  <CAS> (1,299)
41648-10-6

>  <URL> (1,299)
N/A

$$$$
WAY-300063
csChFnd80/06102009162D

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1370

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C16H13N3O3

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295.29272

>  <Cat> (1,300)
P3727

>  <Name> (1,300)
WAY-300063

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (1,300)
free base

>  <CAS> (1,300)
296888-45-4

>  <URL> (1,300)
N/A

$$$$
WAY-299819
csChFnd80/06102009162D

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>  <Mol_ID> (1,301)
1371

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>  <Name> (1,301)
WAY-299819

>  <Synonyms> (1,301)
N/A

>  <Target> (1,301)
p38 MAPK,c-Jun-N-Terminal Kinase

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free base

>  <CAS> (1,301)
346663-56-7

>  <URL> (1,301)
N/A

$$$$
WAY-300700
csChFnd80/06102009162D

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1372

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C19H22N2O2

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>  <Cat> (1,302)
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>  <Name> (1,302)
WAY-300700

>  <Synonyms> (1,302)
N/A

>  <Target> (1,302)
HIV-1

>  <Form> (1,302)
free base

>  <CAS> (1,302)
428853-17-2

>  <URL> (1,302)
N/A

$$$$
WAY-300744
csChFnd80/06102009162D

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>  <Mol_ID> (1,303)
1373

>  <Formula> (1,303)
C14H12Cl2N2O2S

>  <MolWeight> (1,303)
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>  <Cat> (1,303)
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>  <Name> (1,303)
WAY-300744

>  <Synonyms> (1,303)
N/A

>  <Target> (1,303)
kinase

>  <Form> (1,303)
free base

>  <CAS> (1,303)
314284-06-5

>  <URL> (1,303)
N/A

$$$$
WAY-301205
csChFnd80/06102009162D

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>  <Mol_ID> (1,304)
1374

>  <Formula> (1,304)
C16H20N2O2S2

>  <MolWeight> (1,304)
336.4722

>  <Cat> (1,304)
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>  <Name> (1,304)
WAY-301205

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (1,304)
free base

>  <CAS> (1,304)
330181-93-6

>  <URL> (1,304)
N/A

$$$$
WAY-301300
csChFnd80/06102009162D

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    2.6552    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6586    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,305)
1375

>  <Formula> (1,305)
C16H17NO4

>  <MolWeight> (1,305)
287.31048

>  <Cat> (1,305)
P3726

>  <Name> (1,305)
WAY-301300

>  <Synonyms> (1,305)
N/A

>  <Target> (1,305)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (1,305)
free base

>  <CAS> (1,305)
935279-95-1

>  <URL> (1,305)
N/A

$$$$
WAY-301398
csChFnd80/06102009162D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
1376

>  <Formula> (1,306)
C16H13FO4

>  <MolWeight> (1,306)
288.2704232

>  <Cat> (1,306)
P3750

>  <Name> (1,306)
WAY-301398

>  <Synonyms> (1,306)
N/A

>  <Target> (1,306)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (1,306)
free base

>  <CAS> (1,306)
312607-68-4

>  <URL> (1,306)
N/A

$$$$
WAY-301503
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
  7  8  2  0  0  0  0
 11 13  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,307)
1377

>  <Formula> (1,307)
C14H9N3O4S

>  <MolWeight> (1,307)
315.30396

>  <Cat> (1,307)
P3748

>  <Name> (1,307)
WAY-301503

>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
CDK2

>  <Form> (1,307)
free base

>  <CAS> (1,307)
313530-30-2

>  <URL> (1,307)
N/A

$$$$
WAY-118985
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,308)
1378

>  <Formula> (1,308)
C13H12N4S2

>  <MolWeight> (1,308)
288.39118

>  <Cat> (1,308)
P3723

>  <Name> (1,308)
WAY-118985

>  <Synonyms> (1,308)
N/A

>  <Target> (1,308)
TAOK2

>  <Form> (1,308)
free base

>  <CAS> (1,308)
315704-83-7

>  <URL> (1,308)
N/A

$$$$
WAY-302159
csChFnd80/06102009162D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
 12  2  2  0  0  0  0
 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,309)
1379

>  <Formula> (1,309)
C16H11N3O3

>  <MolWeight> (1,309)
293.27684

>  <Cat> (1,309)
P3746

>  <Name> (1,309)
WAY-302159

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
VEGFR-2

>  <Form> (1,309)
free base

>  <CAS> (1,309)
62802-77-1

>  <URL> (1,309)
N/A

$$$$
WAY-302713-A
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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WAY-302888
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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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WAY-304800-A
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WAY-305025
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457911-10-3

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N/A

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WAY-383487
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WAY-383487

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N/A

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CDK

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free base

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748146-89-6

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N/A

$$$$
WAY-232261
csChFnd80/06102009162D

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1387

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292.3336

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WAY-232261

>  <Synonyms> (1,317)
N/A

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 PI3K

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free base

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332023-13-9

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N/A

$$$$
WAY-340245
csChFnd80/06102009162D

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>  <Mol_ID> (1,318)
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WAY-340245

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N/A

>  <Target> (1,318)
ERK

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free base

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350509-85-2

>  <URL> (1,318)
N/A

$$$$
WAY-340935
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,319)
1389

>  <Formula> (1,319)
C15H11BrN2O

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P3744

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WAY-340935

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
VEGFR2 kinase

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free base

>  <CAS> (1,319)
737818-56-3

>  <URL> (1,319)
N/A

$$$$
WAY-341085
csChFnd80/06102009162D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,320)
1390

>  <Formula> (1,320)
C19H16N2O3S

>  <MolWeight> (1,320)
352.40694

>  <Cat> (1,320)
P3769

>  <Name> (1,320)
WAY-341085

>  <Synonyms> (1,320)
N/A

>  <Target> (1,320)
Kinase

>  <Form> (1,320)
free base

>  <CAS> (1,320)
383380-01-6

>  <URL> (1,320)
N/A

$$$$
WAY-346658
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,321)
1391

>  <Formula> (1,321)
C13H11ClN2O2S

>  <MolWeight> (1,321)
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P3715

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WAY-346658

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
c-Jun N-terminal kinase

>  <Form> (1,321)
free base

>  <CAS> (1,321)
381714-44-9

>  <URL> (1,321)
N/A

$$$$
WAY-350471
csChFnd80/06102009162D

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785705-53-5

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N/A

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WAY-352563
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505051-04-7

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N/A

$$$$
GI-505946
csChFnd80/06102009162D

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13142-47-7

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N/A

$$$$
WAY-354896
csChFnd80/06102009162D

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136498-37-8

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N/A

$$$$
WAY-380496
csChFnd80/06102009162D

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N/A

$$$$
WAY-381332
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380163-63-3

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N/A

$$$$
WAY-332656
csChFnd80/06102009162D

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N/A

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Protein kinase C epsilon signaling

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free base

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904458-98-6

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N/A

$$$$
WAY-333175
csChFnd80/06102009162D

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N/A

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GSK-3b

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free base

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75620-25-6

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N/A

$$$$
WAY-333184
csChFnd80/06102009162D

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GSK-3b

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free base

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863004-48-2

>  <URL> (1,330)
N/A

$$$$
WAY-643018
csChFnd80/06102009162D

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WAY-643018

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CDK

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free base

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677701-62-1

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N/A

$$$$
WAY-332616
csChFnd80/06102009162D

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WAY-332616

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N/A

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pyruvate kinase

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free base

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904457-46-1

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N/A

$$$$
WAY-332647
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,333)
1403

>  <Formula> (1,333)
C19H21NO3S

>  <MolWeight> (1,333)
343.43994

>  <Cat> (1,333)
P3767

>  <Name> (1,333)
WAY-332647

>  <Synonyms> (1,333)
N/A

>  <Target> (1,333)
pyruvate kinase

>  <Form> (1,333)
free base

>  <CAS> (1,333)
902516-53-4

>  <URL> (1,333)
N/A

$$$$
WAY-624704
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,334)
1404

>  <Formula> (1,334)
C17H15N3O2S

>  <MolWeight> (1,334)
325.3849

>  <Cat> (1,334)
P3766

>  <Name> (1,334)
WAY-624704

>  <Synonyms> (1,334)
N/A

>  <Target> (1,334)
ROCK

>  <Form> (1,334)
free base

>  <CAS> (1,334)
692869-38-8

>  <URL> (1,334)
N/A

$$$$
WAY-625135
csChFnd80/06102009162D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,335)
1405

>  <Formula> (1,335)
C14H12N2O3S

>  <MolWeight> (1,335)
288.32168

>  <Cat> (1,335)
P3707

>  <Name> (1,335)
WAY-625135

>  <Synonyms> (1,335)
N/A

>  <Target> (1,335)
Casein kinase 1¦Ä

>  <Form> (1,335)
free base

>  <CAS> (1,335)
756865-45-9

>  <URL> (1,335)
N/A

$$$$
WAY-626309
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,336)
1406

>  <Formula> (1,336)
C19H16N2O2S

>  <MolWeight> (1,336)
336.40754

>  <Cat> (1,336)
P3765

>  <Name> (1,336)
WAY-626309

>  <Synonyms> (1,336)
N/A

>  <Target> (1,336)
c-Jun N-terminal kinase

>  <Form> (1,336)
free base

>  <CAS> (1,336)
756849-36-2

>  <URL> (1,336)
N/A

$$$$
WAY-646458
csChFnd80/06102009162D

 20 23  0  0  0  0  0  0  0  0999 V2000
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 20 16  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,337)
1407

>  <Formula> (1,337)
C16H10N2O2

>  <MolWeight> (1,337)
262.2628

>  <Cat> (1,337)
P3706

>  <Name> (1,337)
WAY-646458

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
Casein kinase 1d

>  <Form> (1,337)
free base

>  <CAS> (1,337)
852413-92-4

>  <URL> (1,337)
N/A

$$$$
WAY-313318
csChFnd80/06102009162D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  9 11  1  0  0  0  0
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M  END
>  <Mol_ID> (1,338)
1408

>  <Formula> (1,338)
C13H10Cl2N4

>  <MolWeight> (1,338)
293.1513

>  <Cat> (1,338)
P3734

>  <Name> (1,338)
WAY-313318

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
RSK2

>  <Form> (1,338)
free base

>  <CAS> (1,338)
351993-88-9

>  <URL> (1,338)
N/A

$$$$
WAY-239448
csChFnd80/06102009162D

 15 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,339)
1409

>  <Formula> (1,339)
C11H12N2S2

>  <MolWeight> (1,339)
236.35638

>  <Cat> (1,339)
P3683

>  <Name> (1,339)
WAY-239448

>  <Synonyms> (1,339)
N/A

>  <Target> (1,339)
CK2,Anti-infection

>  <Form> (1,339)
free base

>  <CAS> (1,339)
314260-78-1

>  <URL> (1,339)
N/A

$$$$
WAY-299562
csChFnd80/06102009162D

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  1  4  1  0  0  0  0
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  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,340)
1410

>  <Formula> (1,340)
C16H13NO3

>  <MolWeight> (1,340)
267.27932

>  <Cat> (1,340)
P3698

>  <Name> (1,340)
WAY-299562

>  <Synonyms> (1,340)
N/A

>  <Target> (1,340)
PKA,AKAP

>  <Form> (1,340)
free base

>  <CAS> (1,340)
299934-88-6

>  <URL> (1,340)
N/A

$$$$
WAY-300507
csChFnd80/06102009162D

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 10  4  2  0  0  0  0
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 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
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M  END
>  <Mol_ID> (1,341)
1411

>  <Formula> (1,341)
C18H15NO3S2

>  <MolWeight> (1,341)
357.4466

>  <Cat> (1,341)
P3774

>  <Name> (1,341)
WAY-300507

>  <Synonyms> (1,341)
N/A

>  <Target> (1,341)
beta-catenin,MKK4

>  <Form> (1,341)
free base

>  <CAS> (1,341)
301688-74-4

>  <URL> (1,341)
N/A

$$$$
WAY-301524-A
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  8 12  2  0  0  0  0
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M  END
>  <Mol_ID> (1,342)
1412

>  <Formula> (1,342)
C15H13N3O2S

>  <MolWeight> (1,342)
299.34762

>  <Cat> (1,342)
P3725

>  <Name> (1,342)
WAY-301524-A

>  <Synonyms> (1,342)
N/A

>  <Target> (1,342)
CK2

>  <Form> (1,342)
free base

>  <CAS> (1,342)
474263-21-3

>  <URL> (1,342)
N/A

$$$$
WAY-301527
csChFnd80/06102009162D

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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> (1,343)
1413

>  <Formula> (1,343)
C16H15N3O2S

>  <MolWeight> (1,343)
313.3742

>  <Cat> (1,343)
P3747

>  <Name> (1,343)
WAY-301527

>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
Casein Kinase

>  <Form> (1,343)
free base

>  <CAS> (1,343)
315682-22-5

>  <URL> (1,343)
N/A

$$$$
WAY-388756
csChFnd80/06102009162D

 16 18  0  0  0  0  0  0  0  0999 V2000
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243669-62-7

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N/A

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WAY-310410
csChFnd80/06102009162D

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N/A

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WAY-297152
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free base

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397878-17-0

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N/A

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WAY-297174
csChFnd80/06102009162D

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WAY-297674
csChFnd80/06102009162D

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N/A

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WAY-298630
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N/A

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WAY-299017
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M  END
>  <Mol_ID> (1,350)
1420

>  <Formula> (1,350)
C17H14N2O3

>  <MolWeight> (1,350)
294.30466

>  <Cat> (1,350)
P3730

>  <Name> (1,350)
WAY-299017

>  <Synonyms> (1,350)
N/A

>  <Target> (1,350)
PI3Ka

>  <Form> (1,350)
free base

>  <CAS> (1,350)
300803-79-6

>  <URL> (1,350)
N/A

$$$$
WAY-299359
csChFnd80/06102009162D

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 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,351)
1421

>  <Formula> (1,351)
C14H18N2O3S

>  <MolWeight> (1,351)
294.36932

>  <Cat> (1,351)
P3729

>  <Name> (1,351)
WAY-299359

>  <Synonyms> (1,351)
N/A

>  <Target> (1,351)
FLT3, Tubulin

>  <Form> (1,351)
free base

>  <CAS> (1,351)
1005057-81-7

>  <URL> (1,351)
N/A

$$$$
WAY-117443
csChFnd80/06102009162D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  8 10  2  0  0  0  0
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M  END
>  <Mol_ID> (1,352)
1422

>  <Formula> (1,352)
C19H18O5

>  <MolWeight> (1,352)
326.34322

>  <Cat> (1,352)
P3752

>  <Name> (1,352)
WAY-117443

>  <Synonyms> (1,352)
N/A

>  <Target> (1,352)
GRK6,DOPA decarboxylase

>  <Form> (1,352)
free base

>  <CAS> (1,352)
1164562-43-9

>  <URL> (1,352)
N/A

$$$$
WAY-304191
csChFnd80/06102009162D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,353)
1423

>  <Formula> (1,353)
C18H25NO2

>  <MolWeight> (1,353)
287.3966

>  <Cat> (1,353)
P3745

>  <Name> (1,353)
WAY-304191

>  <Synonyms> (1,353)
N/A

>  <Target> (1,353)
FLT3 receptor

>  <Form> (1,353)
free base

>  <CAS> (1,353)
510724-22-8

>  <URL> (1,353)
N/A

$$$$
WAY-226683
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,354)
1424

>  <Formula> (1,354)
C14H14N2O3

>  <MolWeight> (1,354)
258.27256

>  <Cat> (1,354)
P3697

>  <Name> (1,354)
WAY-226683

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
Rho

>  <Form> (1,354)
free base

>  <CAS> (1,354)
309736-94-5

>  <URL> (1,354)
N/A

$$$$
WAY-306955
csChFnd80/06102009162D

 22 25  0  0  0  0  0  0  0  0999 V2000
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WAY-312858
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WAY-663387
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WAY-644841
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WAY-273339
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N/A

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WAY-277364
csChFnd80/06102009162D

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771498-80-7

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N/A

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WAY-337530
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N/A

$$$$
WAY-337532
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N/A

$$$$
WAY-628644
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N/A

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WAY-270250
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852367-46-5

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WAY-270252
csChFnd80/06102009162D

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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

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WAY-615145
csChFnd80/06102009162D

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glucokinase

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free base

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536736-95-5

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N/A

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WAY-613982
csChFnd80/06102009162D

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330449-39-3

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N/A

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WAY-650334
csChFnd80/06102009162D

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847773-02-8

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N/A

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GI-570482
csChFnd80/06102009162D

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N/A

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WAY-272160
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M  END
>  <Mol_ID> (1,373)
1443

>  <Formula> (1,373)
C18H13ClN2O3

>  <MolWeight> (1,373)
340.76042

>  <Cat> (1,373)
P3737

>  <Name> (1,373)
WAY-272160

>  <Synonyms> (1,373)
N/A

>  <Target> (1,373)
 topoisomerase II,HER2

>  <Form> (1,373)
free base

>  <CAS> (1,373)
489413-54-9

>  <URL> (1,373)
N/A

$$$$
WAY-320461
csChFnd80/06102009162D

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M  END
>  <Mol_ID> (1,374)
1444

>  <Formula> (1,374)
C15H10BrN3O2S

>  <MolWeight> (1,374)
376.2278

>  <Cat> (1,374)
P3760

>  <Name> (1,374)
WAY-320461

>  <Synonyms> (1,374)
N/A

>  <Target> (1,374)
FAK

>  <Form> (1,374)
free base

>  <CAS> (1,374)
491839-65-7

>  <URL> (1,374)
N/A

$$$$
WAY-603392
csChFnd80/06102009162D

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 10 14  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,375)
1445

>  <Formula> (1,375)
C11H16N2O3S

>  <MolWeight> (1,375)
256.32134

>  <Cat> (1,375)
P3685

>  <Name> (1,375)
WAY-603392

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
AKT(PKB) phosphorylation,ion channel

>  <Form> (1,375)
free base

>  <CAS> (1,375)
329906-01-6

>  <URL> (1,375)
N/A

$$$$
WAY-321341
csChFnd80/06102009162D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,376)
1446

>  <Formula> (1,376)
C24H22N4O

>  <MolWeight> (1,376)
382.45768

>  <Cat> (1,376)
P3759

>  <Name> (1,376)
WAY-321341

>  <Synonyms> (1,376)
N/A

>  <Target> (1,376)
SYK,Immunology & Inflammation related

>  <Form> (1,376)
free base

>  <CAS> (1,376)
314027-66-2

>  <URL> (1,376)
N/A

$$$$
WAY-322243
csChFnd80/06102009162D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,377)
1447

>  <Formula> (1,377)
C18H18N2O2S

>  <MolWeight> (1,377)
326.41272

>  <Cat> (1,377)
P3736

>  <Name> (1,377)
WAY-322243

>  <Synonyms> (1,377)
N/A

>  <Target> (1,377)
CLK-1

>  <Form> (1,377)
free base

>  <CAS> (1,377)
332939-32-9

>  <URL> (1,377)
N/A

$$$$
