AY-20590
csChFnd80/05202110422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C16H10N2O2

>  <MolWeight> (1)
262.2628

>  <Cat> (1)
P3252

>  <Name> (1)
AY-20590

>  <Synonyms> (1)
N/A

>  <Target> (1)
Mcl-1,Anti-infection,PDGFR

>  <Form> (1)
free base

>  <CAS> (1)
57490-73-0

>  <URL> (1)
N/A

$$$$
WAY-278534
csChFnd80/05202110422D

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 11  9  2  0  0  0  0
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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C11H9NO3S

>  <MolWeight> (2)
235.25906

>  <Cat> (2)
P3292

>  <Name> (2)
WAY-278534

>  <Synonyms> (2)
N/A

>  <Target> (2)
Pim-1,Pim-2

>  <Form> (2)
free base

>  <CAS> (2)
6320-51-0

>  <URL> (2)
N/A

$$$$
WAY-299369
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  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> (3)
3

>  <Formula> (3)
C15H15ClN2O3

>  <MolWeight> (3)
306.7442

>  <Cat> (3)
P3304

>  <Name> (3)
WAY-299369

>  <Synonyms> (3)
N/A

>  <Target> (3)
AR,DNA binding,GSK-3¦Á/¦Â,MDM4 and p53

>  <Form> (3)
free base

>  <CAS> (3)
1005078-45-4

>  <URL> (3)
N/A

$$$$
WAY-382818
csChFnd80/05202110422D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.1542   -7.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875   -4.1667    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
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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
 16  6  2  0  0  0  0
 17 19  1  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
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 21  9  1  0  0  0  0
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 23  1  1  0  0  0  0
 24  2  1  0  0  0  0
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  6  5  1  0  0  0  0
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 30 26  2  0  0  0  0
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C24H20N4O5

>  <MolWeight> (4)
444.4394

>  <Cat> (4)
P3418

>  <Name> (4)
WAY-382818

>  <Synonyms> (4)
N/A

>  <Target> (4)
mitogen-activated protein kinase phosphatase

>  <Form> (4)
free base

>  <CAS> (4)
1022922-35-5

>  <URL> (4)
N/A

$$$$
WAY-383270
csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  8 12  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  7  1  0  0  0  0
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 14 10  1  0  0  0  0
 15  9  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> (5)
5

>  <Formula> (5)
C23H24FN3O2S

>  <MolWeight> (5)
425.5189632

>  <Cat> (5)
P3419

>  <Name> (5)
WAY-383270

>  <Synonyms> (5)
N/A

>  <Target> (5)
Casein kinase 1¦Ä

>  <Form> (5)
free base

>  <CAS> (5)
1024284-84-1

>  <URL> (5)
N/A

$$$$
GI-566508
csChFnd80/05202110422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C17H17N3S

>  <MolWeight> (6)
295.40198

>  <Cat> (6)
P3259

>  <Name> (6)
GI-566508

>  <Synonyms> (6)
N/A

>  <Target> (6)
EGFR 

>  <Form> (6)
free base

>  <CAS> (6)
1164458-14-3

>  <URL> (6)
N/A

$$$$
WAY-107407
csChFnd80/05202110422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C15H12N2O3

>  <MolWeight> (7)
268.26738

>  <Cat> (7)
P3262

>  <Name> (7)
WAY-107407

>  <Synonyms> (7)
N/A

>  <Target> (7)
PI3K

>  <Form> (7)
free base

>  <CAS> (7)
1164469-67-3

>  <URL> (7)
N/A

$$$$
WAY-114506
csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C10H18N4O4

>  <MolWeight> (8)
258.27432

>  <Cat> (8)
P3265

>  <Name> (8)
WAY-114506

>  <Synonyms> (8)
N/A

>  <Target> (8)
amyloid beta

>  <Form> (8)
free base

>  <CAS> (8)
1164500-43-9

>  <URL> (8)
N/A

$$$$
WAY-221060-A
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 18 14  1  0  0  0  0
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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C17H25NO

>  <MolWeight> (9)
259.3865

>  <Cat> (9)
P3266

>  <Name> (9)
WAY-221060-A

>  <Synonyms> (9)
N/A

>  <Target> (9)
hOCT1 and hOCT2,JARID1A and JARID1B

>  <Form> (9)
free base

>  <CAS> (9)
1351406-38-6

>  <URL> (9)
N/A

$$$$
WAY-240932
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C15H11BrN2O2S

>  <MolWeight> (10)
363.22904

>  <Cat> (10)
P3269

>  <Name> (10)
WAY-240932

>  <Synonyms> (10)
N/A

>  <Target> (10)
serine/threonine kinase

>  <Form> (10)
free base

>  <CAS> (10)
326914-66-3

>  <URL> (10)
N/A

$$$$
WAY-299590
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C19H20FNO

>  <MolWeight> (11)
297.3666032

>  <Cat> (11)
P3305

>  <Name> (11)
WAY-299590

>  <Synonyms> (11)
N/A

>  <Target> (11)
InhA,p38a

>  <Form> (11)
free base

>  <CAS> (11)
260428-61-3

>  <URL> (11)
N/A

$$$$
WAY-300062
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C16H16N4O2S

>  <MolWeight> (12)
328.38884

>  <Cat> (12)
P3307

>  <Name> (12)
WAY-300062

>  <Synonyms> (12)
N/A

>  <Target> (12)
Anti-infection

>  <Form> (12)
free base

>  <CAS> (12)
330990-68-6

>  <URL> (12)
N/A

$$$$
WAY-299721
csChFnd80/05202110422D

 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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 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 26 27  1  0  0  0  0
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 13 15  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C18H15ClF3N5OS

>  <MolWeight> (13)
441.8578096

>  <Cat> (13)
P3306

>  <Name> (13)
WAY-299721

>  <Synonyms> (13)
N/A

>  <Target> (13)
SYK kinase

>  <Form> (13)
free base

>  <CAS> (13)
338427-78-4

>  <URL> (13)
N/A

$$$$
WAY-300385
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8 13  2  0  0  0  0
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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  9 13  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C13H15N3O2S2

>  <MolWeight> (14)
309.4071

>  <Cat> (14)
P3308

>  <Name> (14)
WAY-300385

>  <Synonyms> (14)
N/A

>  <Target> (14)
Anti-infection

>  <Form> (14)
free base

>  <CAS> (14)
500188-71-6

>  <URL> (14)
N/A

$$$$
WAY-300442
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 21 24  2  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C18H11BrN2O4

>  <MolWeight> (15)
399.19494

>  <Cat> (15)
P3309

>  <Name> (15)
WAY-300442

>  <Synonyms> (15)
N/A

>  <Target> (15)
ATP-kinase

>  <Form> (15)
free base

>  <CAS> (15)
333773-08-3

>  <URL> (15)
N/A

$$$$
WAY-384934
csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 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> (16)
16

>  <Formula> (16)
C24H22N4O2

>  <MolWeight> (16)
398.45708

>  <Cat> (16)
P3420

>  <Name> (16)
WAY-384934

>  <Synonyms> (16)
N/A

>  <Target> (16)
pyruvate kinase

>  <Form> (16)
free base

>  <CAS> (16)
498568-75-5

>  <URL> (16)
N/A

$$$$
WAY-388796
csChFnd80/05202110422D

 15 17  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
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M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C11H11ClN2S

>  <MolWeight> (17)
238.73644

>  <Cat> (17)
P3421

>  <Name> (17)
WAY-388796

>  <Synonyms> (17)
N/A

>  <Target> (17)
PDE5,PARP-1,PDE4,LIMK1,c-Met

>  <Form> (17)
free base

>  <CAS> (17)
40106-58-9

>  <URL> (17)
N/A

$$$$
WAY-388798
csChFnd80/05202110422D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    1.9586   -1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3862    2.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3862    0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  3  7  2  0  0  0  0
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  5  9  1  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C7H5ClN2OS

>  <MolWeight> (18)
200.6454

>  <Cat> (18)
P3422

>  <Name> (18)
WAY-388798

>  <Synonyms> (18)
N/A

>  <Target> (18)
GPR40,histone deacetylase,mGluR5 receptor

>  <Form> (18)
free base

>  <CAS> (18)
63417-81-2

>  <URL> (18)
N/A

$$$$
WAY-346940
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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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
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 19 12  1  0  0  0  0
 15 23  2  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C15H11ClN4O2S

>  <MolWeight> (19)
346.79144

>  <Cat> (19)
P3391

>  <Name> (19)
WAY-346940

>  <Synonyms> (19)
N/A

>  <Target> (19)
Rho

>  <Form> (19)
free base

>  <CAS> (19)
392246-66-1

>  <URL> (19)
N/A

$$$$
WAY-347243
csChFnd80/05202110422D

 15 16  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> (20)
20

>  <Formula> (20)
C11H13N3S

>  <MolWeight> (20)
219.30602

>  <Cat> (20)
P3392

>  <Name> (20)
WAY-347243

>  <Synonyms> (20)
N/A

>  <Target> (20)
Anti-infection

>  <Form> (20)
free base

>  <CAS> (20)
422298-69-9

>  <URL> (20)
N/A

$$$$
WAY-347626
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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 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> (21)
21

>  <Formula> (21)
C17H15N3O3

>  <MolWeight> (21)
309.3193

>  <Cat> (21)
P3393

>  <Name> (21)
WAY-347626

>  <Synonyms> (21)
N/A

>  <Target> (21)
CDK2

>  <Form> (21)
free base

>  <CAS> (21)
756843-31-9

>  <URL> (21)
N/A

$$$$
WAY-347806
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C17H13FN2O4S

>  <MolWeight> (22)
360.3595232

>  <Cat> (22)
P3394

>  <Name> (22)
WAY-347806

>  <Synonyms> (22)
N/A

>  <Target> (22)
CK2,GSK3¦Â

>  <Form> (22)
free base

>  <CAS> (22)
757198-76-8

>  <URL> (22)
N/A

$$$$
WAY-348144
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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 14  6  1  0  0  0  0
 15 13  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C17H14N4O2S

>  <MolWeight> (23)
338.38366

>  <Cat> (23)
P3395

>  <Name> (23)
WAY-348144

>  <Synonyms> (23)
N/A

>  <Target> (23)
Casein kinase 1¦Ä

>  <Form> (23)
free base

>  <CAS> (23)
764694-25-9

>  <URL> (23)
N/A

$$$$
WAY-349807
csChFnd80/05202110422D

 35 39  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  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
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 15  2  2  0  0  0  0
 16  4  1  0  0  0  0
 17  4  1  0  0  0  0
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 26 20  1  0  0  0  0
 27  8  1  0  0  0  0
 28 11  1  0  0  0  0
 29  9  1  0  0  0  0
 30 28  2  0  0  0  0
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 35 29  2  0  0  0  0
 19  7  1  0  0  0  0
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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C28H26ClN3O3

>  <MolWeight> (24)
487.97734

>  <Cat> (24)
P3397

>  <Name> (24)
WAY-349807

>  <Synonyms> (24)
N/A

>  <Target> (24)
Pim-1

>  <Form> (24)
free base

>  <CAS> (24)
544662-95-5

>  <URL> (24)
N/A

$$$$
WAY-349858
csChFnd80/05202110422D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 12  4  2  0  0  0  0
 13  6  2  0  0  0  0
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 15  6  1  0  0  0  0
 16 18  2  0  0  0  0
 17  4  1  0  0  0  0
 18 14  1  0  0  0  0
 19  9  1  0  0  0  0
 20 10  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C15H16N2O4S

>  <MolWeight> (25)
320.36354

>  <Cat> (25)
P3398

>  <Name> (25)
WAY-349858

>  <Synonyms> (25)
N/A

>  <Target> (25)
c-Jun N-terminal kinase

>  <Form> (25)
free base

>  <CAS> (25)
771503-50-5

>  <URL> (25)
N/A

$$$$
WAY-350732
csChFnd80/05202110422D

 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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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C13H11BrN2O2S

>  <MolWeight> (26)
339.20764

>  <Cat> (26)
P3399

>  <Name> (26)
WAY-350732

>  <Synonyms> (26)
N/A

>  <Target> (26)
c-Jun N-terminal kinase

>  <Form> (26)
free base

>  <CAS> (26)
438602-71-2

>  <URL> (26)
N/A

$$$$
WAY-351429
csChFnd80/05202110422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   14.1625   -4.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  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
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  4  5  1  0  0  0  0
 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C21H23N3O4

>  <MolWeight> (27)
381.42502

>  <Cat> (27)
P3400

>  <Name> (27)
WAY-351429

>  <Synonyms> (27)
N/A

>  <Target> (27)
choline kinase

>  <Form> (27)
free base

>  <CAS> (27)
451474-95-6

>  <URL> (27)
N/A

$$$$
WAY-351783
csChFnd80/05202110422D

 30 32  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 18  1  0  0  0  0
  5  8  3  0  0  0  0
  6 20  1  0  0  0  0
  7 22  1  0  0  0  0
  8  6  1  0  0  0  0
  9 12  1  0  0  0  0
 10  2  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  4  1  0  0  0  0
 16  3  2  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19  4  2  0  0  0  0
 20 24  2  0  0  0  0
 21 10  1  0  0  0  0
 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  2  0  0  0  0
 30 29  1  0  0  0  0
  7 21  1  0  0  0  0
 30 28  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C21H21ClN4O3S

>  <MolWeight> (28)
444.93444

>  <Cat> (28)
P3401

>  <Name> (28)
WAY-351783

>  <Synonyms> (28)
N/A

>  <Target> (28)
creatin kinase

>  <Form> (28)
free base

>  <CAS> (28)
460994-47-2

>  <URL> (28)
N/A

$$$$
WAY-351812
csChFnd80/05202110422D

 25 26  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
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  9  1  0  0  0  0
  8  5  1  0  0  0  0
  9 13  1  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  3  1  0  0  0  0
 13 22  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  2  0  0  0  0
 17  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  7  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 22  1  0  0  0  0
  6  5  1  0  0  0  0
  9 23  2  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C15H14F3N3O3S

>  <MolWeight> (29)
373.3501696

>  <Cat> (29)
P3402

>  <Name> (29)
WAY-351812

>  <Synonyms> (29)
N/A

>  <Target> (29)
CDK8

>  <Form> (29)
free base

>  <CAS> (29)
471289-61-9

>  <URL> (29)
N/A

$$$$
WAY-352098
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   15.0875   -7.8375    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  2  2  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  7  1  0  0  0  0
  9 13  1  0  0  0  0
 10  3  1  0  0  0  0
 11 15  1  0  0  0  0
 12 11  1  0  0  0  0
 13 20  1  0  0  0  0
 14 11  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17  9  1  0  0  0  0
 18  9  1  0  0  0  0
 19 12  1  0  0  0  0
 20 23  1  0  0  0  0
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 25  7  2  0  0  0  0
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  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
 26 28  1  0  0  0  0
 24 20  2  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C17H12F3N5O2S

>  <MolWeight> (30)
407.3696896

>  <Cat> (30)
P3403

>  <Name> (30)
WAY-352098

>  <Synonyms> (30)
N/A

>  <Target> (30)
PDK1,CRTH2

>  <Form> (30)
free base

>  <CAS> (30)
482643-39-0

>  <URL> (30)
N/A

$$$$
WAY-352753
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.4310    1.6788    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
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 11 13  1  0  0  0  0
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 17 20  2  0  0  0  0
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 10 12  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C14H10ClN3OS

>  <MolWeight> (31)
303.7667

>  <Cat> (31)
P3404

>  <Name> (31)
WAY-352753

>  <Synonyms> (31)
N/A

>  <Target> (31)
GSK-3

>  <Form> (31)
free base

>  <CAS> (31)
478482-74-5

>  <URL> (31)
N/A

$$$$
WAY-353591
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.4917  -11.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C16H12FN3S

>  <MolWeight> (32)
297.3499832

>  <Cat> (32)
P3406

>  <Name> (32)
WAY-353591

>  <Synonyms> (32)
N/A

>  <Target> (32)
Casein kinase 1d

>  <Form> (32)
free base

>  <CAS> (32)
454427-09-9

>  <URL> (32)
N/A

$$$$
WAY-353890
csChFnd80/05202110422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  5  3  2  0  0  0  0
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  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
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 10  7  1  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
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 20  9  1  0  0  0  0
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M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C17H13FN4O

>  <MolWeight> (33)
308.3097232

>  <Cat> (33)
P3407

>  <Name> (33)
WAY-353890

>  <Synonyms> (33)
N/A

>  <Target> (33)
FGFR1

>  <Form> (33)
free base

>  <CAS> (33)
459137-97-4

>  <URL> (33)
N/A

$$$$
WAY-354189
csChFnd80/05202110422D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C15H12Cl2N2O4S

>  <MolWeight> (34)
387.23778

>  <Cat> (34)
P3408

>  <Name> (34)
WAY-354189

>  <Synonyms> (34)
N/A

>  <Target> (34)
JAK-STAT

>  <Form> (34)
free base

>  <CAS> (34)
850019-35-1

>  <URL> (34)
N/A

$$$$
GI-570261
csChFnd80/05202110422D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 18 21  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C22H19N5O3S

>  <MolWeight> (35)
433.48296

>  <Cat> (35)
P3261

>  <Name> (35)
GI-570261

>  <Synonyms> (35)
N/A

>  <Target> (35)
LRP5/6-sclerostin interaction,phosphatidylin

>  <Form> (35)
free base

>  <CAS> (35)
301357-76-6

>  <URL> (35)
N/A

$$$$
WAY-352835
csChFnd80/05202110422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C16H15N3OS

>  <MolWeight> (36)
297.3748

>  <Cat> (36)
P3405

>  <Name> (36)
WAY-352835

>  <Synonyms> (36)
N/A

>  <Target> (36)
tyrosine kinase

>  <Form> (36)
free base

>  <CAS> (36)
401638-52-6

>  <URL> (36)
N/A

$$$$
WAY-354831
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C15H10FN3O3

>  <MolWeight> (37)
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>  <Cat> (37)
P3409

>  <Name> (37)
WAY-354831

>  <Synonyms> (37)
N/A

>  <Target> (37)
c-Met 

>  <Form> (37)
free base

>  <CAS> (37)
330572-32-2

>  <URL> (37)
N/A

$$$$
WAY-354890
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 11  9  1  0  0  0  0
 12 18  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16 12  1  0  0  0  0
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 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
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 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C17H16FN3S

>  <MolWeight> (38)
313.3924432

>  <Cat> (38)
P3410

>  <Name> (38)
WAY-354890

>  <Synonyms> (38)
N/A

>  <Target> (38)
EGFR 

>  <Form> (38)
free base

>  <CAS> (38)
852407-49-9

>  <URL> (38)
N/A

$$$$
WAY-355772
csChFnd80/05202110422D

 29 32  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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7 12  1  0  0  0  0
  8  6  1  0  0  0  0
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 10  1  2  0  0  0  0
 11  8  1  0  0  0  0
 12 19  1  0  0  0  0
 13  8  2  0  0  0  0
 14  5  1  0  0  0  0
 15  7  1  0  0  0  0
 16  7  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 19 25  2  0  0  0  0
 20  3  2  0  0  0  0
 21  4  1  0  0  0  0
 22 18  1  0  0  0  0
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 27 20  1  0  0  0  0
 28 27  2  0  0  0  0
 29 14  2  0  0  0  0
  4  5  2  0  0  0  0
 14 28  1  0  0  0  0
 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C19H13F3N2O4S

>  <MolWeight> (39)
422.3777296

>  <Cat> (39)
P3411

>  <Name> (39)
WAY-355772

>  <Synonyms> (39)
N/A

>  <Target> (39)
serine/threonine kinase

>  <Form> (39)
free base

>  <CAS> (39)
442658-33-5

>  <URL> (39)
N/A

$$$$
WAY-357919
csChFnd80/05202110422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11 13  1  0  0  0  0
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 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
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 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C18H16N2O2S

>  <MolWeight> (40)
324.39684

>  <Cat> (40)
P3412

>  <Name> (40)
WAY-357919

>  <Synonyms> (40)
N/A

>  <Target> (40)
VEGFR

>  <Form> (40)
free base

>  <CAS> (40)
298207-77-9

>  <URL> (40)
N/A

$$$$
WAY-358024
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13 11  1  0  0  0  0
 14  5  1  0  0  0  0
 15  6  1  0  0  0  0
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 18 15  2  0  0  0  0
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 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C15H11N3O3

>  <MolWeight> (41)
281.26614

>  <Cat> (41)
P3413

>  <Name> (41)
WAY-358024

>  <Synonyms> (41)
N/A

>  <Target> (41)
GSK-3b

>  <Form> (41)
free base

>  <CAS> (41)
70169-39-0

>  <URL> (41)
N/A

$$$$
WAY-358667-A
csChFnd80/05202110422D

 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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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C12H8N2S2

>  <MolWeight> (42)
244.33532

>  <Cat> (42)
P3414

>  <Name> (42)
WAY-358667-A

>  <Synonyms> (42)
N/A

>  <Target> (42)
Human protein kinase CK2

>  <Form> (42)
free base

>  <CAS> (42)
182198-89-6

>  <URL> (42)
N/A

$$$$
WAY-358981
csChFnd80/05202110422D

 19 21  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
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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
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C14H12N4O

>  <MolWeight> (43)
252.27128

>  <Cat> (43)
P3415

>  <Name> (43)
WAY-358981

>  <Synonyms> (43)
N/A

>  <Target> (43)
sphingosine kinase

>  <Form> (43)
free base

>  <CAS> (43)
307322-32-3

>  <URL> (43)
N/A

$$$$
WAY-359594
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   10.3500   -3.9292    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
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  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  1  0  0  0  0
 13  2  1  0  0  0  0
 14 17  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20  7  2  0  0  0  0
 21  9  2  0  0  0  0
 22  8  2  0  0  0  0
 23 10  1  0  0  0  0
 24 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 10  4  2  0  0  0  0
 20 25  1  0  0  0  0
 27 21  1  0  0  0  0
 18 14  1  0  0  0  0
M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C23H21N3O2

>  <MolWeight> (44)
371.43174

>  <Cat> (44)
P3416

>  <Name> (44)
WAY-359594

>  <Synonyms> (44)
N/A

>  <Target> (44)
G protein coupled receptor 6 kinase

>  <Form> (44)
free base

>  <CAS> (44)
33495-39-5

>  <URL> (44)
N/A

$$$$
WAY-381785
csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  4  2  0  0  0  0
  4  6  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  1  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 16  2  0  0  0  0
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 21 10  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 24 20  1  0  0  0  0
 10  9  2  0  0  0  0
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 13  7  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C20H23N3O

>  <MolWeight> (45)
321.41612

>  <Cat> (45)
P3417

>  <Name> (45)
WAY-381785

>  <Synonyms> (45)
N/A

>  <Target> (45)
GSK3

>  <Form> (45)
free base

>  <CAS> (45)
511239-29-5

>  <URL> (45)
N/A

$$$$
WAY-313201
csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
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 10 15  1  0  0  0  0
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 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
  7 10  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C12H12N2O3S

>  <MolWeight> (46)
264.30028

>  <Cat> (46)
P3320

>  <Name> (46)
WAY-313201

>  <Synonyms> (46)
N/A

>  <Target> (46)
 GSK-3b

>  <Form> (46)
free base

>  <CAS> (46)
571904-77-3

>  <URL> (46)
N/A

$$$$
WAY-311972
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C21H18BrN3O3

>  <MolWeight> (47)
440.28992

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P3315

>  <Name> (47)
WAY-311972

>  <Synonyms> (47)
N/A

>  <Target> (47)
ATP-kinases

>  <Form> (47)
free base

>  <CAS> (47)
606948-76-9

>  <URL> (47)
N/A

$$$$
WAY-113178
csChFnd80/05202110422D

 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> (48)
48

>  <Formula> (48)
C21H17N3O3S

>  <MolWeight> (48)
391.44298

>  <Cat> (48)
P3263

>  <Name> (48)
WAY-113178

>  <Synonyms> (48)
N/A

>  <Target> (48)
IkB kinase-beta 

>  <Form> (48)
free base

>  <CAS> (48)
638999-98-1

>  <URL> (48)
N/A

$$$$
WAY-225588
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12  2  1  0  0  0  0
 13 16  1  0  0  0  0
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 20 18  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C17H15N3O

>  <MolWeight> (49)
277.3205

>  <Cat> (49)
P3267

>  <Name> (49)
WAY-225588

>  <Synonyms> (49)
N/A

>  <Target> (49)
GRK6

>  <Form> (49)
free base

>  <CAS> (49)
6765-52-2

>  <URL> (49)
N/A

$$$$
WAY-312602
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 18  3  0  0  0  0
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 12 13  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C17H17N5O3

>  <MolWeight> (50)
339.34858

>  <Cat> (50)
P3318

>  <Name> (50)
WAY-312602

>  <Synonyms> (50)
N/A

>  <Target> (50)
maternal embryonic leucine zipper kinase

>  <Form> (50)
free base

>  <CAS> (50)
681266-13-7

>  <URL> (50)
N/A

$$$$
WAY-344977
csChFnd80/05202110422D

 25 27  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
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  3  1  0  0  0  0
 15 18  1  0  0  0  0
 16 10  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  2  0  0  0  0
 19  4  2  0  0  0  0
 20  5  2  0  0  0  0
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 25 20  1  0  0  0  0
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M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C17H17ClN4O2S

>  <MolWeight> (51)
376.86048

>  <Cat> (51)
P3389

>  <Name> (51)
WAY-344977

>  <Synonyms> (51)
N/A

>  <Target> (51)
GSK-3

>  <Form> (51)
free base

>  <CAS> (51)
686743-57-7

>  <URL> (51)
N/A

$$$$
WAY-310507
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (52)
52

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Anti-infection

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free base

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686743-93-1

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N/A

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WAY-310944
csChFnd80/05202110422D

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Anti-infection

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free base

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688335-53-7

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N/A

$$$$
WAY-310334
csChFnd80/05202110422D

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>  <Mol_ID> (54)
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>  <Synonyms> (54)
N/A

>  <Target> (54)
mPGES-1,human protein kinase CK2

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free base

>  <CAS> (54)
688335-72-0

>  <URL> (54)
N/A

$$$$
WAY-310819
csChFnd80/05202110422D

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55

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C15H14BrN5O3S

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P3312

>  <Name> (55)
WAY-310819

>  <Synonyms> (55)
N/A

>  <Target> (55)
B-Raf

>  <Form> (55)
free base

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326918-98-3

>  <URL> (55)
N/A

$$$$
CL-59089
csChFnd80/05202110422D

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>  <Target> (56)
sirtuin,Rho,CDK

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free base

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3008-61-5

>  <URL> (56)
N/A

$$$$
WAY-616312
csChFnd80/05202110422D

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WAY-616312

>  <Synonyms> (57)
N/A

>  <Target> (57)
sirtuin,Rho,CDK

>  <Form> (57)
free base

>  <CAS> (57)
730946-98-2

>  <URL> (57)
N/A

$$$$
WAY-624687
csChFnd80/05202110422D

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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C13H9N5S2

>  <MolWeight> (58)
299.37406

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P3465

>  <Name> (58)
WAY-624687

>  <Synonyms> (58)
N/A

>  <Target> (58)
GSK3

>  <Form> (58)
free base

>  <CAS> (58)
753473-65-3

>  <URL> (58)
N/A

$$$$
WAY-330162
csChFnd80/05202110422D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 11  3  1  0  0  0  0
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 18  6  2  0  0  0  0
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 30 25  1  0  0  0  0
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 29 23  2  0  0  0  0
M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C22H26N2O5S

>  <MolWeight> (59)
430.51724

>  <Cat> (59)
P3377

>  <Name> (59)
WAY-330162

>  <Synonyms> (59)
N/A

>  <Target> (59)
Kinase

>  <Form> (59)
free base

>  <CAS> (59)
868963-46-6

>  <URL> (59)
N/A

$$$$
WAY-333883
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
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 15  6  2  0  0  0  0
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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C16H16Cl2N4O

>  <MolWeight> (60)
351.23044

>  <Cat> (60)
P3382

>  <Name> (60)
WAY-333883

>  <Synonyms> (60)
N/A

>  <Target> (60)
pyruvate kinase

>  <Form> (60)
free base

>  <CAS> (60)
863448-35-5

>  <URL> (60)
N/A

$$$$
WAY-333875
csChFnd80/05202110422D

 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  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
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 18 22  1  0  0  0  0
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 22 14  2  0  0  0  0
 23 13  1  0  0  0  0
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 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C16H16ClFN4O

>  <MolWeight> (61)
334.7758432

>  <Cat> (61)
P3380

>  <Name> (61)
WAY-333875

>  <Synonyms> (61)
N/A

>  <Target> (61)
pyruvate kinase

>  <Form> (61)
free base

>  <CAS> (61)
863448-22-0

>  <URL> (61)
N/A

$$$$
WAY-333878
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14 11  2  0  0  0  0
 15 11  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  2  0  0  0  0
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 20 12  1  0  0  0  0
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 22 14  1  0  0  0  0
 23 17  1  0  0  0  0
  7  9  2  0  0  0  0
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 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C18H22N4O

>  <MolWeight> (62)
310.39348

>  <Cat> (62)
P3381

>  <Name> (62)
WAY-333878

>  <Synonyms> (62)
N/A

>  <Target> (62)
pyruvate kinase

>  <Form> (62)
free base

>  <CAS> (62)
863448-25-3

>  <URL> (62)
N/A

$$$$
WAY-329412
csChFnd80/05202110422D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <URL> (63)
N/A

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WAY-329689
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64

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C29H29N3O4

>  <MolWeight> (64)
483.55826

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>  <Synonyms> (64)
N/A

>  <Target> (64)
Abl

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free base

>  <CAS> (64)
943934-76-7

>  <URL> (64)
N/A

$$$$
WAY-329424
csChFnd80/05202110422D

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65

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>  <MolWeight> (65)
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>  <Synonyms> (65)
N/A

>  <Target> (65)
Abl

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free base

>  <CAS> (65)
943933-52-6

>  <URL> (65)
N/A

$$$$
WAY-329686
csChFnd80/05202110422D

 31 34  0  0  0  0  0  0  0  0999 V2000
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66

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>  <MolWeight> (66)
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>  <Synonyms> (66)
N/A

>  <Target> (66)
Abl

>  <Form> (66)
free base

>  <CAS> (66)
943934-31-4

>  <URL> (66)
N/A

$$$$
WAY-329410
csChFnd80/05202110422D

 32 36  0  0  0  0  0  0  0  0999 V2000
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67

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Abl

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free base

>  <CAS> (67)
943932-62-5

>  <URL> (67)
N/A

$$$$
WAY-329685
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C28H27N3O4

>  <MolWeight> (68)
469.53168

>  <Cat> (68)
P3374

>  <Name> (68)
WAY-329685

>  <Synonyms> (68)
N/A

>  <Target> (68)
Abl

>  <Form> (68)
free base

>  <CAS> (68)
943934-25-6

>  <URL> (68)
N/A

$$$$
WAY-329423
csChFnd80/05202110422D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C24H27N3O2

>  <MolWeight> (69)
389.49008

>  <Cat> (69)
P3366

>  <Name> (69)
WAY-329423

>  <Synonyms> (69)
N/A

>  <Target> (69)
Abl

>  <Form> (69)
free base

>  <CAS> (69)
943933-49-1

>  <URL> (69)
N/A

$$$$
WAY-329356
csChFnd80/05202110422D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (70)
70

>  <Formula> (70)
C28H27N3O2

>  <MolWeight> (70)
437.53288

>  <Cat> (70)
P3363

>  <Name> (70)
WAY-329356

>  <Synonyms> (70)
N/A

>  <Target> (70)
Abl

>  <Form> (70)
free base

>  <CAS> (70)
943932-17-0

>  <URL> (70)
N/A

$$$$
WAY-329341
csChFnd80/05202110422D

 34 38  0  0  0  0  0  0  0  0999 V2000
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71

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C28H27N3O3

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N/A

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Abl

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free base

>  <CAS> (71)
943931-29-1

>  <URL> (71)
N/A

$$$$
WAY-329340
csChFnd80/05202110422D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C24H27N3O2

>  <MolWeight> (72)
389.49008

>  <Cat> (72)
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>  <Name> (72)
WAY-329340

>  <Synonyms> (72)
N/A

>  <Target> (72)
Abl

>  <Form> (72)
free base

>  <CAS> (72)
943931-23-5

>  <URL> (72)
N/A

$$$$
WAY-641918
csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
 11 15  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C25H24N2O3

>  <MolWeight> (73)
400.46966

>  <Cat> (73)
P3498

>  <Name> (73)
WAY-641918

>  <Synonyms> (73)
N/A

>  <Target> (73)
TAO kinase

>  <Form> (73)
free base

>  <CAS> (73)
850467-77-5

>  <URL> (73)
N/A

$$$$
WAY-278459-A
csChFnd80/05202110422D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C11H12N2OS

>  <MolWeight> (74)
220.29078

>  <Cat> (74)
P3291

>  <Name> (74)
WAY-278459-A

>  <Synonyms> (74)
N/A

>  <Target> (74)
Plasmodium falciparum Apical Membrane Antige

>  <Form> (74)
free base

>  <CAS> (74)
105512-88-7

>  <URL> (74)
N/A

$$$$
WAY-643895
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (75)
75

>  <Formula> (75)
C11H7N3OS

>  <MolWeight> (75)
229.25778

>  <Cat> (75)
P3503

>  <Name> (75)
WAY-643895

>  <Synonyms> (75)
N/A

>  <Target> (75)
Casein kinase 1¦Ä

>  <Form> (75)
free base

>  <CAS> (75)
851871-94-8

>  <URL> (75)
N/A

$$$$
WAY-278559-A
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C17H23N3O

>  <MolWeight> (76)
285.38402

>  <Cat> (76)
P3294

>  <Name> (76)
WAY-278559-A

>  <Synonyms> (76)
N/A

>  <Target> (76)
ethanolamine kinase

>  <Form> (76)
free base

>  <CAS> (76)
301330-81-4

>  <URL> (76)
N/A

$$$$
WAY-642481
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C17H16N2OS

>  <MolWeight> (77)
296.38674

>  <Cat> (77)
P3501

>  <Name> (77)
WAY-642481

>  <Synonyms> (77)
N/A

>  <Target> (77)
CDK

>  <Form> (77)
free base

>  <CAS> (77)
22312-45-4

>  <URL> (77)
N/A

$$$$
WAY-643632-A
csChFnd80/05202110422D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C11H14N2O2

>  <MolWeight> (78)
206.24106

>  <Cat> (78)
P3502

>  <Name> (78)
WAY-643632-A

>  <Synonyms> (78)
N/A

>  <Target> (78)
SRC kinase,TTX-S channel

>  <Form> (78)
free base

>  <CAS> (78)
500356-88-7

>  <URL> (78)
N/A

$$$$
WAY-616763
csChFnd80/05202110422D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  1  2  0  0  0  0
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 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C18H15Cl2N3O4S

>  <MolWeight> (79)
440.3004

>  <Cat> (79)
P3456

>  <Name> (79)
WAY-616763

>  <Synonyms> (79)
N/A

>  <Target> (79)
Anti-infection

>  <Form> (79)
free base

>  <CAS> (79)
735303-62-5

>  <URL> (79)
N/A

$$$$
WAY-641966
csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
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 16  8  1  0  0  0  0
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M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C20H16N4

>  <MolWeight> (80)
312.36784

>  <Cat> (80)
P3499

>  <Name> (80)
WAY-641966

>  <Synonyms> (80)
N/A

>  <Target> (80)
TGF-¦Â,p38-¦Á

>  <Form> (80)
free base

>  <CAS> (80)
259870-32-1

>  <URL> (80)
N/A

$$$$
WAY-642424
csChFnd80/05202110422D

 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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  7 12  1  0  0  0  0
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 11  2  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14 10  1  0  0  0  0
 15  7  2  0  0  0  0
 16 25  2  0  0  0  0
 17 13  1  0  0  0  0
 18  8  1  0  0  0  0
 19  8  2  0  0  0  0
 20 22  2  0  0  0  0
 21 18  2  0  0  0  0
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 27 11  2  0  0  0  0
  3  5  1  0  0  0  0
 21 20  1  0  0  0  0
 16 24  1  0  0  0  0
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M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C19H14FN5OS

>  <MolWeight> (81)
379.4107632

>  <Cat> (81)
P3500

>  <Name> (81)
WAY-642424

>  <Synonyms> (81)
N/A

>  <Target> (81)
Casein kinase 1¦Ä

>  <Form> (81)
free base

>  <CAS> (81)
851396-73-1

>  <URL> (81)
N/A

$$$$
WAY-329592
csChFnd80/05202110422D

 30 32  0  0  0  0  0  0  0  0999 V2000
    6.2625   -8.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6875   -8.3625    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  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 12  1  0  0  0  0
 11  3  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  3  2  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18  8  2  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 24  1  0  0  0  0
 22  7  2  0  0  0  0
 23 10  2  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 26 18  1  0  0  0  0
 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
  5 16  2  0  0  0  0
  6  9  1  0  0  0  0
 21 17  2  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C22H25BrN2O4S

>  <MolWeight> (82)
493.4139

>  <Cat> (82)
P3368

>  <Name> (82)
WAY-329592

>  <Synonyms> (82)
N/A

>  <Target> (82)
tyrosine kinase

>  <Form> (82)
free base

>  <CAS> (82)
868963-53-5

>  <URL> (82)
N/A

$$$$
WAY-333939
csChFnd80/05202110422D

 26 29  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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 10  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  2  0  0  0  0
 20 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22 14  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 20 18  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C19H21N5O2

>  <MolWeight> (83)
351.40234

>  <Cat> (83)
P3384

>  <Name> (83)
WAY-333939

>  <Synonyms> (83)
N/A

>  <Target> (83)
Anti-infection

>  <Form> (83)
free base

>  <CAS> (83)
689268-14-2

>  <URL> (83)
N/A

$$$$
WAY-333908
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  2  0  0  0  0
 14 10  2  0  0  0  0
 15 17  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 22  2  0  0  0  0
 20 12  2  0  0  0  0
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 23 21  2  0  0  0  0
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 25 23  1  0  0  0  0
  4  3  1  0  0  0  0
  9  7  2  0  0  0  0
 25 24  2  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C17H12N6O2

>  <MolWeight> (84)
332.31618

>  <Cat> (84)
P3383

>  <Name> (84)
WAY-333908

>  <Synonyms> (84)
N/A

>  <Target> (84)
others

>  <Form> (84)
free base

>  <CAS> (84)
689269-24-7

>  <URL> (84)
N/A

$$$$
WAY-333945
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -2.3375    1.8250    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  6  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
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 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  2  0  0  0  0
 15 11  2  0  0  0  0
 16 13  1  0  0  0  0
 17 10  2  0  0  0  0
 18 15  1  0  0  0  0
 19 12  2  0  0  0  0
 20 12  1  0  0  0  0
 21 10  1  0  0  0  0
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 23 20  2  0  0  0  0
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 25 24  1  0  0  0  0
  4  3  1  0  0  0  0
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 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C17H13N5O2S

>  <MolWeight> (85)
351.38242

>  <Cat> (85)
P3385

>  <Name> (85)
WAY-333945

>  <Synonyms> (85)
N/A

>  <Target> (85)
Anti-infection

>  <Form> (85)
free base

>  <CAS> (85)
689273-45-8

>  <URL> (85)
N/A

$$$$
WAY-616584
csChFnd80/05202110422D

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>  <Mol_ID> (86)
86

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C16H13N3O2S

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311.35832

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P3455

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WAY-616584

>  <Synonyms> (86)
N/A

>  <Target> (86)
Casein kinase 1¦Ä

>  <Form> (86)
free base

>  <CAS> (86)
695223-53-1

>  <URL> (86)
N/A

$$$$
WAY-625530
csChFnd80/05202110422D

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>  <Mol_ID> (87)
87

>  <Formula> (87)
C22H18ClFN2O3

>  <MolWeight> (87)
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>  <Cat> (87)
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>  <Name> (87)
WAY-625530

>  <Synonyms> (87)
N/A

>  <Target> (87)
FGFR1

>  <Form> (87)
free base

>  <CAS> (87)
956782-57-3

>  <URL> (87)
N/A

$$$$
WAY-625741
csChFnd80/05202110422D

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>  <Mol_ID> (88)
88

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343.35712

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>  <Name> (88)
WAY-625741

>  <Synonyms> (88)
N/A

>  <Target> (88)
Casein kinase 1d

>  <Form> (88)
free base

>  <CAS> (88)
756857-71-3

>  <URL> (88)
N/A

$$$$
WAY-626116
csChFnd80/05202110422D

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>  <Mol_ID> (89)
89

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>  <Name> (89)
WAY-626116

>  <Synonyms> (89)
N/A

>  <Target> (89)
Casein kinase 1d

>  <Form> (89)
free base

>  <CAS> (89)
753468-25-6

>  <URL> (89)
N/A

$$$$
WAY-273170
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C19H13ClN4O2S

>  <MolWeight> (90)
396.85012

>  <Cat> (90)
P3289

>  <Name> (90)
WAY-273170

>  <Synonyms> (90)
N/A

>  <Target> (90)
Myt1

>  <Form> (90)
free base

>  <CAS> (90)
478247-52-8

>  <URL> (90)
N/A

$$$$
WAY-277054
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C16H11ClFN3OS2

>  <MolWeight> (91)
379.8594432

>  <Cat> (91)
P3290

>  <Name> (91)
WAY-277054

>  <Synonyms> (91)
N/A

>  <Target> (91)
tyrosine kinase

>  <Form> (91)
free base

>  <CAS> (91)
753467-39-9?

>  <URL> (91)
N/A

$$$$
WAY-336715
csChFnd80/05202110422D

 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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 10  1  1  0  0  0  0
 11  5  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
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 18 15  2  0  0  0  0
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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C21H20N4OS

>  <MolWeight> (92)
376.4747

>  <Cat> (92)
P3386

>  <Name> (92)
WAY-336715

>  <Synonyms> (92)
N/A

>  <Target> (92)
CDK8

>  <Form> (92)
free base

>  <CAS> (92)
451458-32-5

>  <URL> (92)
N/A

$$$$
WAY-337647
csChFnd80/05202110422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14  2  2  0  0  0  0
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 10 12  2  0  0  0  0
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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C15H12ClNO4

>  <MolWeight> (93)
305.71308

>  <Cat> (93)
P3387

>  <Name> (93)
WAY-337647

>  <Synonyms> (93)
N/A

>  <Target> (93)
f mitogen-activated protein kinase kinase 4

>  <Form> (93)
free base

>  <CAS> (93)
1402605-80-4

>  <URL> (93)
N/A

$$$$
WAY-612453
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C9H8Cl2N4S

>  <MolWeight> (94)
275.15762

>  <Cat> (94)
P3446

>  <Name> (94)
WAY-612453

>  <Synonyms> (94)
N/A

>  <Target> (94)
Anti-infection

>  <Form> (94)
free base

>  <CAS> (94)
300809-10-3

>  <URL> (94)
N/A

$$$$
WAY-612622
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C16H11FN2O2

>  <MolWeight> (95)
282.2691432

>  <Cat> (95)
P3447

>  <Name> (95)
WAY-612622

>  <Synonyms> (95)
N/A

>  <Target> (95)
CDK

>  <Form> (95)
free base

>  <CAS> (95)
288401-60-5

>  <URL> (95)
N/A

$$$$
WAY-612698
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C17H19NO4S

>  <MolWeight> (96)
333.40206

>  <Cat> (96)
P3448

>  <Name> (96)
WAY-612698

>  <Synonyms> (96)
N/A

>  <Target> (96)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (96)
free base

>  <CAS> (96)
565191-45-9

>  <URL> (96)
N/A

$$$$
WAY-612763
csChFnd80/05202110422D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 16  2  1  0  0  0  0
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 27  1  1  0  0  0  0
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M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C21H15ClF3N3O5

>  <MolWeight> (97)
481.8091096

>  <Cat> (97)
P3449

>  <Name> (97)
WAY-612763

>  <Synonyms> (97)
N/A

>  <Target> (97)
YycG histidine kinase

>  <Form> (97)
free base

>  <CAS> (97)
479060-67-8

>  <URL> (97)
N/A

$$$$
WAY-630308
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  2  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C16H21N3O3

>  <MolWeight> (98)
303.35624

>  <Cat> (98)
P3469

>  <Name> (98)
WAY-630308

>  <Synonyms> (98)
N/A

>  <Target> (98)
Casein kinase 1¦Ä

>  <Form> (98)
free base

>  <CAS> (98)
326034-30-4

>  <URL> (98)
N/A

$$$$
WAY-630363
csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10 20  1  0  0  0  0
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 13  6  1  0  0  0  0
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M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C19H15N3O3S

>  <MolWeight> (99)
365.4057

>  <Cat> (99)
P3470

>  <Name> (99)
WAY-630363

>  <Synonyms> (99)
N/A

>  <Target> (99)
Casein kinase 1¦Ä

>  <Form> (99)
free base

>  <CAS> (99)
729579-66-2

>  <URL> (99)
N/A

$$$$
WAY-647361
csChFnd80/05202110422D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C8H6N2O4

>  <MolWeight> (100)
194.14424

>  <Cat> (100)
P3504

>  <Name> (100)
WAY-647361

>  <Synonyms> (100)
N/A

>  <Target> (100)
 PI3K

>  <Form> (100)
free base

>  <CAS> (100)
852399-94-1

>  <URL> (100)
N/A

$$$$
WAY-647636
csChFnd80/05202110422D

 31 35  0  0  0  0  0  0  0  0999 V2000
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N/A

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Casein kinase 1¦Ä

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free base

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556055-08-4

>  <URL> (101)
N/A

$$$$
WAY-647729
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C16H11N3OS

>  <MolWeight> (102)
293.34304

>  <Cat> (102)
P3506

>  <Name> (102)
WAY-647729

>  <Synonyms> (102)
N/A

>  <Target> (102)
CDK

>  <Form> (102)
free base

>  <CAS> (102)
852678-17-2

>  <URL> (102)
N/A

$$$$
WAY-647766
csChFnd80/05202110422D

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>  <Mol_ID> (103)
103

>  <Formula> (103)
C16H12N6S

>  <MolWeight> (103)
320.37168

>  <Cat> (103)
P3507

>  <Name> (103)
WAY-647766

>  <Synonyms> (103)
N/A

>  <Target> (103)
Casein kinase 1¦Ä

>  <Form> (103)
free base

>  <CAS> (103)
851168-98-4

>  <URL> (103)
N/A

$$$$
WAY-647802
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C11H14N4O3

>  <MolWeight> (104)
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>  <Cat> (104)
P3508

>  <Name> (104)
WAY-647802

>  <Synonyms> (104)
N/A

>  <Target> (104)
EGFR,CDK4 and 6

>  <Form> (104)
free base

>  <CAS> (104)
852225-20-8

>  <URL> (104)
N/A

$$$$
WAY-648936
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C13H10N4O

>  <MolWeight> (105)
238.2447

>  <Cat> (105)
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>  <Name> (105)
WAY-648936

>  <Synonyms> (105)
N/A

>  <Target> (105)
CDK

>  <Form> (105)
free base

>  <CAS> (105)
796888-73-8

>  <URL> (105)
N/A

$$$$
WAY-649123
csChFnd80/05202110422D

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TGF-¦Â,p38-a

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free base

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801244-46-2

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N/A

$$$$
WL-300778
csChFnd80/05202110422D

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free base

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802980-14-9

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N/A

$$$$
WAY-333175
csChFnd80/05202110422D

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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
csChFnd80/05202110422D

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GSK-3b

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free base

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863004-48-2

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N/A

$$$$
WAY-643018
csChFnd80/05202110422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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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
csChFnd80/05202110422D

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>  <Mol_ID> (111)
111

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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
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C19H21NO3S

>  <MolWeight> (112)
343.43994

>  <Cat> (112)
P3767

>  <Name> (112)
WAY-332647

>  <Synonyms> (112)
N/A

>  <Target> (112)
pyruvate kinase

>  <Form> (112)
free base

>  <CAS> (112)
902516-53-4

>  <URL> (112)
N/A

$$$$
WAY-624704
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 21  8  1  0  0  0  0
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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C17H15N3O2S

>  <MolWeight> (113)
325.3849

>  <Cat> (113)
P3766

>  <Name> (113)
WAY-624704

>  <Synonyms> (113)
N/A

>  <Target> (113)
ROCK

>  <Form> (113)
free base

>  <CAS> (113)
692869-38-8

>  <URL> (113)
N/A

$$$$
WAY-625135
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  1  0  0  0  0
 15 10  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
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 20 19  1  0  0  0  0
 15 14  2  0  0  0  0
  4  6  1  0  0  0  0
 17 12  2  0  0  0  0
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C14H12N2O3S

>  <MolWeight> (114)
288.32168

>  <Cat> (114)
P3707

>  <Name> (114)
WAY-625135

>  <Synonyms> (114)
N/A

>  <Target> (114)
Casein kinase 1¦Ä

>  <Form> (114)
free base

>  <CAS> (114)
756865-45-9

>  <URL> (114)
N/A

$$$$
WAY-626309
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 14 18  1  0  0  0  0
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 16  4  1  0  0  0  0
 17 12  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
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  9 14  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C19H16N2O2S

>  <MolWeight> (115)
336.40754

>  <Cat> (115)
P3765

>  <Name> (115)
WAY-626309

>  <Synonyms> (115)
N/A

>  <Target> (115)
c-Jun N-terminal kinase

>  <Form> (115)
free base

>  <CAS> (115)
756849-36-2

>  <URL> (115)
N/A

$$$$
WAY-646458
csChFnd80/05202110422D

 20 23  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  1  0  0  0  0
 11  9  2  0  0  0  0
 12  3  1  0  0  0  0
 13 11  1  0  0  0  0
 14  4  1  0  0  0  0
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 16  5  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  2  0  0  0  0
 19 14  2  0  0  0  0
 20 19  1  0  0  0  0
  5  2  1  0  0  0  0
 12 13  2  0  0  0  0
 20 16  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C16H10N2O2

>  <MolWeight> (116)
262.2628

>  <Cat> (116)
P3706

>  <Name> (116)
WAY-646458

>  <Synonyms> (116)
N/A

>  <Target> (116)
Casein kinase 1d

>  <Form> (116)
free base

>  <CAS> (116)
852413-92-4

>  <URL> (116)
N/A

$$$$
WAY-313318
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C13H10Cl2N4

>  <MolWeight> (117)
293.1513

>  <Cat> (117)
P3734

>  <Name> (117)
WAY-313318

>  <Synonyms> (117)
N/A

>  <Target> (117)
RSK2

>  <Form> (117)
free base

>  <CAS> (117)
351993-88-9

>  <URL> (117)
N/A

$$$$
WAY-239448
csChFnd80/05202110422D

 15 17  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
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  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
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 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  1  0  0  0  0
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  3  4  2  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C11H12N2S2

>  <MolWeight> (118)
236.35638

>  <Cat> (118)
P3683

>  <Name> (118)
WAY-239448

>  <Synonyms> (118)
N/A

>  <Target> (118)
CK2,Anti-infection

>  <Form> (118)
free base

>  <CAS> (118)
314260-78-1

>  <URL> (118)
N/A

$$$$
WAY-299562
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.7034    0.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2931    0.0897    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
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  1  4  1  0  0  0  0
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  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
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 11 15  1  0  0  0  0
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  7  8  1  0  0  0  0
 10 13  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C16H13NO3

>  <MolWeight> (119)
267.27932

>  <Cat> (119)
P3698

>  <Name> (119)
WAY-299562

>  <Synonyms> (119)
N/A

>  <Target> (119)
PKA,AKAP

>  <Form> (119)
free base

>  <CAS> (119)
299934-88-6

>  <URL> (119)
N/A

$$$$
WAY-300507
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    0.2313   -0.7418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4812   -1.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7062    1.8290    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  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  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 18  1  0  0  0  0
 12 11  2  0  0  0  0
 13  1  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
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 20  9  1  0  0  0  0
 21 19  2  0  0  0  0
 22 14  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  1  0  0  0  0
 14 21  1  0  0  0  0
 24 22  2  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C18H15NO3S2

>  <MolWeight> (120)
357.4466

>  <Cat> (120)
P3774

>  <Name> (120)
WAY-300507

>  <Synonyms> (120)
N/A

>  <Target> (120)
beta-catenin,MKK4

>  <Form> (120)
free base

>  <CAS> (120)
301688-74-4

>  <URL> (120)
N/A

$$$$
WAY-301524-A
csChFnd80/05202110422D

 21 23  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  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
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  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C15H13N3O2S

>  <MolWeight> (121)
299.34762

>  <Cat> (121)
P3725

>  <Name> (121)
WAY-301524-A

>  <Synonyms> (121)
N/A

>  <Target> (121)
CK2

>  <Form> (121)
free base

>  <CAS> (121)
474263-21-3

>  <URL> (121)
N/A

$$$$
WAY-301527
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 20 22  1  0  0  0  0
  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> (122)
122

>  <Formula> (122)
C16H15N3O2S

>  <MolWeight> (122)
313.3742

>  <Cat> (122)
P3747

>  <Name> (122)
WAY-301527

>  <Synonyms> (122)
N/A

>  <Target> (122)
Casein Kinase

>  <Form> (122)
free base

>  <CAS> (122)
315682-22-5

>  <URL> (122)
N/A

$$$$
WAY-388756
csChFnd80/05202110422D

 16 18  0  0  0  0  0  0  0  0999 V2000
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IKKb

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free base

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243669-62-7

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N/A

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WAY-310410
csChFnd80/05202110422D

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124

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N/A

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LIMK1

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free base

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332904-10-6

>  <URL> (124)
N/A

$$$$
WAY-297152
csChFnd80/05202110422D

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125

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N/A

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MtSk

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free base

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397878-17-0

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N/A

$$$$
WAY-297174
csChFnd80/05202110422D

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>  <Mol_ID> (126)
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CK2,MtSk

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free base

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442571-27-9

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N/A

$$$$
WAY-297674
csChFnd80/05202110422D

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WAY-297674

>  <Synonyms> (127)
N/A

>  <Target> (127)
CK2

>  <Form> (127)
free base

>  <CAS> (127)
313985-59-0

>  <URL> (127)
N/A

$$$$
WAY-298630
csChFnd80/05202110422D

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>  <Synonyms> (128)
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PDK1

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free base

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303134-93-2

>  <URL> (128)
N/A

$$$$
WAY-299017
csChFnd80/05202110422D

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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C17H14N2O3

>  <MolWeight> (129)
294.30466

>  <Cat> (129)
P3730

>  <Name> (129)
WAY-299017

>  <Synonyms> (129)
N/A

>  <Target> (129)
PI3Ka

>  <Form> (129)
free base

>  <CAS> (129)
300803-79-6

>  <URL> (129)
N/A

$$$$
WAY-299359
csChFnd80/05202110422D

 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  5  2  0  0  0  0
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  4 10  2  0  0  0  0
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 11 14  1  0  0  0  0
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  5  7  1  0  0  0  0
 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C14H18N2O3S

>  <MolWeight> (130)
294.36932

>  <Cat> (130)
P3729

>  <Name> (130)
WAY-299359

>  <Synonyms> (130)
N/A

>  <Target> (130)
FLT3, Tubulin

>  <Form> (130)
free base

>  <CAS> (130)
1005057-81-7

>  <URL> (130)
N/A

$$$$
WAY-117443
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
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 14  6  2  0  0  0  0
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 18  4  1  0  0  0  0
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  5  7  1  0  0  0  0
  8 10  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C19H18O5

>  <MolWeight> (131)
326.34322

>  <Cat> (131)
P3752

>  <Name> (131)
WAY-117443

>  <Synonyms> (131)
N/A

>  <Target> (131)
GRK6,DOPA decarboxylase

>  <Form> (131)
free base

>  <CAS> (131)
1164562-43-9

>  <URL> (131)
N/A

$$$$
WAY-304191
csChFnd80/05202110422D

 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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 18 21  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C18H25NO2

>  <MolWeight> (132)
287.3966

>  <Cat> (132)
P3745

>  <Name> (132)
WAY-304191

>  <Synonyms> (132)
N/A

>  <Target> (132)
FLT3 receptor

>  <Form> (132)
free base

>  <CAS> (132)
510724-22-8

>  <URL> (132)
N/A

$$$$
WAY-226683
csChFnd80/05202110422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C14H14N2O3

>  <MolWeight> (133)
258.27256

>  <Cat> (133)
P3697

>  <Name> (133)
WAY-226683

>  <Synonyms> (133)
N/A

>  <Target> (133)
Rho

>  <Form> (133)
free base

>  <CAS> (133)
309736-94-5

>  <URL> (133)
N/A

$$$$
WAY-306955
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-352121
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free base

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N/A

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WAY-380153
csChFnd80/05202110422D

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csChFnd80/05202110422D

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N/A

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WAY-312858
csChFnd80/05202110422D

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WAY-278705
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N/A

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WAY-663387
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FLT3

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876866-50-1

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N/A

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WAY-644841
csChFnd80/05202110422D

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850021-27-1

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N/A

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WAY-273339
csChFnd80/05202110422D

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>  <Mol_ID> (142)
142

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N/A

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IGF-1R

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free base

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443097-57-2

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N/A

$$$$
WAY-277364
csChFnd80/05202110422D

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>  <Synonyms> (143)
N/A

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Akt

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free base

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771498-80-7

>  <URL> (143)
N/A

$$$$
WAY-337530
csChFnd80/05202110422D

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CLK-1

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free base

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>  <URL> (144)
N/A

$$$$
WAY-337532
csChFnd80/05202110422D

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N/A

$$$$
WAY-628644
csChFnd80/05202110422D

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N/A

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p38

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free base

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377760-40-2

>  <URL> (146)
N/A

$$$$
WAY-270250
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
147

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>  <MolWeight> (147)
292.33184

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>  <Name> (147)
WAY-270250

>  <Synonyms> (147)
N/A

>  <Target> (147)
IGF-1R,SRC

>  <Form> (147)
free base

>  <CAS> (147)
852367-46-5

>  <URL> (147)
N/A

$$$$
WAY-270252
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C17H13ClN2O2

>  <MolWeight> (148)
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P3738

>  <Name> (148)
WAY-270252

>  <Synonyms> (148)
N/A

>  <Target> (148)
IGF-1R,SRC

>  <Form> (148)
free base

>  <CAS> (148)
61-38-1

>  <URL> (148)
N/A

$$$$
WAY-271127
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
149

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C16H16FN3O2

>  <MolWeight> (149)
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P3704

>  <Name> (149)
WAY-271127

>  <Synonyms> (149)
N/A

>  <Target> (149)
MtSk

>  <Form> (149)
free base

>  <CAS> (149)
500149-26-8

>  <URL> (149)
N/A

$$$$
WAY-615145
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (150)
150

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>  <MolWeight> (150)
286.39192

>  <Cat> (150)
P3761

>  <Name> (150)
WAY-615145

>  <Synonyms> (150)
N/A

>  <Target> (150)
glucokinase

>  <Form> (150)
free base

>  <CAS> (150)
536736-95-5

>  <URL> (150)
N/A

$$$$
WAY-613982
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
151

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252.35578

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>  <Name> (151)
WAY-613982

>  <Synonyms> (151)
N/A

>  <Target> (151)
CK2

>  <Form> (151)
free base

>  <CAS> (151)
330449-39-3

>  <URL> (151)
N/A

$$$$
WAY-650334
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C12H12N2O3

>  <MolWeight> (152)
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>  <Name> (152)
WAY-650334

>  <Synonyms> (152)
N/A

>  <Target> (152)
MAP2K4

>  <Form> (152)
free base

>  <CAS> (152)
847773-02-8

>  <URL> (152)
N/A

$$$$
GI-570482
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C13H14N2O3S

>  <MolWeight> (153)
278.32686

>  <Cat> (153)
P3703

>  <Name> (153)
GI-570482

>  <Synonyms> (153)
N/A

>  <Target> (153)
ExoS ADPRT,MET,USP14

>  <Form> (153)
free base

>  <CAS> (153)
109164-47-8

>  <URL> (153)
N/A

$$$$
WAY-272160
csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C18H13ClN2O3

>  <MolWeight> (154)
340.76042

>  <Cat> (154)
P3737

>  <Name> (154)
WAY-272160

>  <Synonyms> (154)
N/A

>  <Target> (154)
 topoisomerase II,HER2

>  <Form> (154)
free base

>  <CAS> (154)
489413-54-9

>  <URL> (154)
N/A

$$$$
WAY-320461
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C15H10BrN3O2S

>  <MolWeight> (155)
376.2278

>  <Cat> (155)
P3760

>  <Name> (155)
WAY-320461

>  <Synonyms> (155)
N/A

>  <Target> (155)
FAK

>  <Form> (155)
free base

>  <CAS> (155)
491839-65-7

>  <URL> (155)
N/A

$$$$
WAY-603392
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C11H16N2O3S

>  <MolWeight> (156)
256.32134

>  <Cat> (156)
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>  <Name> (156)
WAY-603392

>  <Synonyms> (156)
N/A

>  <Target> (156)
AKT(PKB) phosphorylation,ion channel

>  <Form> (156)
free base

>  <CAS> (156)
329906-01-6

>  <URL> (156)
N/A

$$$$
WAY-321341
csChFnd80/05202110422D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C24H22N4O

>  <MolWeight> (157)
382.45768

>  <Cat> (157)
P3759

>  <Name> (157)
WAY-321341

>  <Synonyms> (157)
N/A

>  <Target> (157)
SYK,Immunology & Inflammation related

>  <Form> (157)
free base

>  <CAS> (157)
314027-66-2

>  <URL> (157)
N/A

$$$$
WAY-322243
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  4  2  0  0  0  0
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 13 14  2  0  0  0  0
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M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C18H18N2O2S

>  <MolWeight> (158)
326.41272

>  <Cat> (158)
P3736

>  <Name> (158)
WAY-322243

>  <Synonyms> (158)
N/A

>  <Target> (158)
CLK-1

>  <Form> (158)
free base

>  <CAS> (158)
332939-32-9

>  <URL> (158)
N/A

$$$$
WAY-322475
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C15H15N5

>  <MolWeight> (159)
265.3131

>  <Cat> (159)
P3691

>  <Name> (159)
WAY-322475

>  <Synonyms> (159)
N/A

>  <Target> (159)
GRK6,SUMOylation

>  <Form> (159)
free base

>  <CAS> (159)
300731-73-1

>  <URL> (159)
N/A

$$$$
WAY-313218
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 11  1  0  0  0  0
 13 15  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C19H20FNO

>  <MolWeight> (160)
297.3666032

>  <Cat> (160)
P3321

>  <Name> (160)
WAY-313218

>  <Synonyms> (160)
N/A

>  <Target> (160)
11¦Â-HSD1 

>  <Form> (160)
free base

>  <CAS> (160)
260428-69-1

>  <URL> (160)
N/A

$$$$
WAY-313013
csChFnd80/05202110422D

 16 17  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
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  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C12H14BrNO2

>  <MolWeight> (161)
284.14906

>  <Cat> (161)
P3319

>  <Name> (161)
WAY-313013

>  <Synonyms> (161)
N/A

>  <Target> (161)
p38,histamine-3 (H3) receptor

>  <Form> (161)
free base

>  <CAS> (161)
326898-76-4

>  <URL> (161)
N/A

$$$$
GI-560708
csChFnd80/05202110422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C20H18N4O2

>  <MolWeight> (162)
346.38252

>  <Cat> (162)
P3258

>  <Name> (162)
GI-560708

>  <Synonyms> (162)
N/A

>  <Target> (162)
BCR-ABL 

>  <Form> (162)
free base

>  <CAS> (162)
2362-25-6

>  <URL> (162)
N/A

$$$$
WAY-345438
csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C24H19N3O2S

>  <MolWeight> (163)
413.49156

>  <Cat> (163)
P3390

>  <Name> (163)
WAY-345438

>  <Synonyms> (163)
N/A

>  <Target> (163)
Casein kinase 1¦Ä

>  <Form> (163)
free base

>  <CAS> (163)
571174-12-4

>  <URL> (163)
N/A

$$$$
WAY-311066
csChFnd80/05202110422D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C21H17N3O3

>  <MolWeight> (164)
359.37798

>  <Cat> (164)
P3314

>  <Name> (164)
WAY-311066

>  <Synonyms> (164)
N/A

>  <Target> (164)
Casein kinase 1¦Ä

>  <Form> (164)
free base

>  <CAS> (164)
332074-85-8

>  <URL> (164)
N/A

$$$$
WAY-312567
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 12 16  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C16H20N2O2S

>  <MolWeight> (165)
304.4072

>  <Cat> (165)
P3317

>  <Name> (165)
WAY-312567

>  <Synonyms> (165)
N/A

>  <Target> (165)
Anti-infection

>  <Form> (165)
free base

>  <CAS> (165)
330955-59-4

>  <URL> (165)
N/A

$$$$
WAY-312157
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C14H18N2O2S

>  <MolWeight> (166)
278.36992

>  <Cat> (166)
P3316

>  <Name> (166)
WAY-312157

>  <Synonyms> (166)
N/A

>  <Target> (166)
ATP-utilizing enzyme

>  <Form> (166)
free base

>  <CAS> (166)
354544-70-0

>  <URL> (166)
N/A

$$$$
WAY-114228
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12 11  2  0  0  0  0
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 15  9  1  0  0  0  0
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 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> (167)
167

>  <Formula> (167)
C21H23NO

>  <MolWeight> (167)
305.41342

>  <Cat> (167)
P3264

>  <Name> (167)
WAY-114228

>  <Synonyms> (167)
N/A

>  <Target> (167)
MEK1

>  <Form> (167)
free base

>  <CAS> (167)
333325-96-5

>  <URL> (167)
N/A

$$$$
WAY-239320
csChFnd80/05202110422D

 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
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   13.2929    6.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8830    6.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
 11  7  2  0  0  0  0
 12  9  2  0  0  0  0
 13  9  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16  6  1  0  0  0  0
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 18 22  1  0  0  0  0
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 29 23  1  0  0  0  0
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 18 20  2  0  0  0  0
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 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C22H21N3O4

>  <MolWeight> (168)
391.41984

>  <Cat> (168)
P3268

>  <Name> (168)
WAY-239320

>  <Synonyms> (168)
N/A

>  <Target> (168)
Chk1,Aurora kinase,Adenosine Kinase

>  <Form> (168)
free base

>  <CAS> (168)
378775-98-5

>  <URL> (168)
N/A

$$$$
WAY-248134
csChFnd80/05202110422D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.7759   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 12 14  1  0  0  0  0
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  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C10H11N3OS

>  <MolWeight> (169)
221.27884

>  <Cat> (169)
P3270

>  <Name> (169)
WAY-248134

>  <Synonyms> (169)
N/A

>  <Target> (169)
LIMK1£¬IKK¦Â

>  <Form> (169)
free base

>  <CAS> (169)
67795-42-0

>  <URL> (169)
N/A

$$$$
WAY-296817
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
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  4  8  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 14 16  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
  5  7  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C17H16N2O3S

>  <MolWeight> (170)
328.38554

>  <Cat> (170)
P3296

>  <Name> (170)
WAY-296817

>  <Synonyms> (170)
N/A

>  <Target> (170)
casein kinase 1

>  <Form> (170)
free base

>  <CAS> (170)
349438-74-0

>  <URL> (170)
N/A

$$$$
WAY-296818
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.2207    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8  9  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C17H16N2O2S

>  <MolWeight> (171)
312.38614

>  <Cat> (171)
P3297

>  <Name> (171)
WAY-296818

>  <Synonyms> (171)
N/A

>  <Target> (171)
casein kinase 1

>  <Form> (171)
free base

>  <CAS> (171)
349438-77-3

>  <URL> (171)
N/A

$$$$
WAY-635764
csChFnd80/05202110422D

 31 33  0  0  0  0  0  0  0  0999 V2000
   -0.0125   -1.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11 25  1  0  0  0  0
 12  2  2  0  0  0  0
 13 11  1  0  0  0  0
 14  3  2  0  0  0  0
 15 17  1  0  0  0  0
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 18 24  1  0  0  0  0
 19  8  2  0  0  0  0
 20 11  2  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
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 25 21  1  0  0  0  0
 26 16  1  0  0  0  0
 27  9  1  0  0  0  0
 28  9  1  0  0  0  0
 29 15  1  0  0  0  0
 30 18  1  0  0  0  0
 31 22  1  0  0  0  0
  5  4  1  0  0  0  0
 23  9  1  0  0  0  0
 18 15  2  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C23H31N3O5

>  <MolWeight> (172)
429.50934

>  <Cat> (172)
P3487

>  <Name> (172)
WAY-635764

>  <Synonyms> (172)
N/A

>  <Target> (172)
Aurora kinase A

>  <Form> (172)
free base

>  <CAS> (172)
790267-88-8

>  <URL> (172)
N/A

$$$$
WAY-271146
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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VEGFR

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free base

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683235-33-8

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N/A

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WAY-271147
csChFnd80/05202110422D

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VEGFR

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free base

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683235-34-9

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N/A

$$$$
WAY-600632
csChFnd80/05202110422D

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Casein kinase 1¦Ä

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free base

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438018-70-3

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N/A

$$$$
WAY-601258
csChFnd80/05202110422D

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N/A

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Anti-infection

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free base

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496023-52-0

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N/A

$$$$
WAY-601323
csChFnd80/05202110422D

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WAY-601323

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N/A

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CDK9 

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free base

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N/A

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WAY-600704-A
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C17H22N2O

>  <MolWeight> (178)
270.36938

>  <Cat> (178)
P3424

>  <Name> (178)
WAY-600704

>  <Synonyms> (178)
N/A

>  <Target> (178)
ethanolamine kinase

>  <Form> (178)
free base

>  <CAS> (178)
301330-94-9

>  <URL> (178)
N/A

$$$$
WAY-600868
csChFnd80/05202110422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C13H9FN2S

>  <MolWeight> (179)
244.2873632

>  <Cat> (179)
P3425

>  <Name> (179)
WAY-600868

>  <Synonyms> (179)
N/A

>  <Target> (179)
FGFR3

>  <Form> (179)
free base

>  <CAS> (179)
348-45-8

>  <URL> (179)
N/A

$$$$
CL-104773
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C17H14N2O

>  <MolWeight> (180)
262.30586

>  <Cat> (180)
P3253

>  <Name> (180)
CL-104773

>  <Synonyms> (180)
N/A

>  <Target> (180)
TLR, JAK2, fatty acid amide hydrolase

>  <Form> (180)
free base

>  <CAS> (180)
802980-92-3

>  <URL> (180)
N/A

$$$$
WAY-269040
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  6  1  2  0  0  0  0
  7  2  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 12  1  0  0  0  0
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 20 15  1  0  0  0  0
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 23 17  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  1  0  0  0  0
  2  3  1  0  0  0  0
  9  7  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C20H23N3OS

>  <MolWeight> (181)
353.48112

>  <Cat> (181)
P3271

>  <Name> (181)
WAY-269040

>  <Synonyms> (181)
N/A

>  <Target> (181)
Anti-infection

>  <Form> (181)
free base

>  <CAS> (181)
846065-09-6

>  <URL> (181)
N/A

$$$$
WAY-339696
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
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 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 21  1  0  0  0  0
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M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C16H11BrN2O3

>  <MolWeight> (182)
359.17414

>  <Cat> (182)
P3388

>  <Name> (182)
WAY-339696

>  <Synonyms> (182)
N/A

>  <Target> (182)
 EGFR-T790M/L858R

>  <Form> (182)
free base

>  <CAS> (182)
333419-97-9

>  <URL> (182)
N/A

$$$$
WAY-349290
csChFnd80/05202110422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C12H7ClN2OS

>  <MolWeight> (183)
262.71478

>  <Cat> (183)
P3396

>  <Name> (183)
WAY-349290

>  <Synonyms> (183)
N/A

>  <Target> (183)
Pim,MCH receptor

>  <Form> (183)
free base

>  <CAS> (183)
215928-66-8

>  <URL> (183)
N/A

$$$$
WAY-613473
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (184)
184

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N/A

>  <Target> (184)
HIV,JAK-2,PI3K

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free base

>  <CAS> (184)
301357-74-4

>  <URL> (184)
N/A

$$$$
WAY-613991
csChFnd80/05202110422D

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 21  9  2  0  0  0  0
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 24  6  1  0  0  0  0
 25  7  1  0  0  0  0
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M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C23H17N3O4

>  <MolWeight> (185)
399.39878

>  <Cat> (185)
P3451

>  <Name> (185)
WAY-613991

>  <Synonyms> (185)
N/A

>  <Target> (185)
Casein kinase 1d

>  <Form> (185)
free base

>  <CAS> (185)
565167-37-5

>  <URL> (185)
N/A

$$$$
WAY-630998
csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 11  1  2  0  0  0  0
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 15  3  1  0  0  0  0
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M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C21H22N4O

>  <MolWeight> (186)
346.42558

>  <Cat> (186)
P3471

>  <Name> (186)
WAY-630998

>  <Synonyms> (186)
N/A

>  <Target> (186)
p38a

>  <Form> (186)
free base

>  <CAS> (186)
251106-30-6

>  <URL> (186)
N/A

$$$$
WAY-631127
csChFnd80/05202110422D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C24H18ClN3O3

>  <MolWeight> (187)
431.87102

>  <Cat> (187)
P3472

>  <Name> (187)
WAY-631127

>  <Synonyms> (187)
N/A

>  <Target> (187)
Casein kinase 1¦Ä

>  <Form> (187)
free base

>  <CAS> (187)
756849-12-4

>  <URL> (187)
N/A

$$$$
WAY-631545
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C12H6ClFN2S

>  <MolWeight> (188)
264.7058432

>  <Cat> (188)
P3473

>  <Name> (188)
WAY-631545

>  <Synonyms> (188)
N/A

>  <Target> (188)
others

>  <Form> (188)
free base

>  <CAS> (188)
681260-56-0

>  <URL> (188)
N/A

$$$$
WAY-632021
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C13H10ClN3S

>  <MolWeight> (189)
275.7566

>  <Cat> (189)
P3474

>  <Name> (189)
WAY-632021

>  <Synonyms> (189)
N/A

>  <Target> (189)
TIE-2,Raf,phosphodiesterase V

>  <Form> (189)
free base

>  <CAS> (189)
742094-64-0

>  <URL> (189)
N/A

$$$$
WAY-632323
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C18H15N5S2

>  <MolWeight> (190)
365.4752

>  <Cat> (190)
P3475

>  <Name> (190)
WAY-632323

>  <Synonyms> (190)
N/A

>  <Target> (190)
Casein kinase 1¦Ä

>  <Form> (190)
free base

>  <CAS> (190)
782457-22-1

>  <URL> (190)
N/A

$$$$
WAY-650313
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  6  1  0  0  0  0
 11  5  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
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 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C23H18FN3O

>  <MolWeight> (191)
371.4069232

>  <Cat> (191)
P3511

>  <Name> (191)
WAY-650313

>  <Synonyms> (191)
N/A

>  <Target> (191)
Casein kinase 1¦Ä

>  <Form> (191)
free base

>  <CAS> (191)
847772-08-1

>  <URL> (191)
N/A

$$$$
WAY-650886
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C19H16N4O2

>  <MolWeight> (192)
332.35594

>  <Cat> (192)
P3512

>  <Name> (192)
WAY-650886

>  <Synonyms> (192)
N/A

>  <Target> (192)
Casein kinase 1¦Ä

>  <Form> (192)
free base

>  <CAS> (192)
848066-61-5

>  <URL> (192)
N/A

$$$$
WAY-651445
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C18H13N3O2S

>  <MolWeight> (193)
335.37972

>  <Cat> (193)
P3513

>  <Name> (193)
WAY-651445

>  <Synonyms> (193)
N/A

>  <Target> (193)
LIMK1£¬IkB

>  <Form> (193)
free base

>  <CAS> (193)
848289-47-4

>  <URL> (193)
N/A

$$$$
GI-555736
csChFnd80/05202110422D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C14H12N2

>  <MolWeight> (194)
208.25848

>  <Cat> (194)
P3257

>  <Name> (194)
GI-555736

>  <Synonyms> (194)
N/A

>  <Target> (194)
PDGFR

>  <Form> (194)
free base

>  <CAS> (194)
848342-16-5

>  <URL> (194)
N/A

$$$$
WAY-270318
csChFnd80/05202110422D

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 16 14  2  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C14H14N4OS

>  <MolWeight> (195)
286.35216

>  <Cat> (195)
P3272

>  <Name> (195)
WAY-270318

>  <Synonyms> (195)
N/A

>  <Target> (195)
protein kinase

>  <Form> (195)
free base

>  <CAS> (195)
721964-48-3

>  <URL> (195)
N/A

$$$$
WAY-270329
csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.0333    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11 17  1  0  0  0  0
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 13  7  1  0  0  0  0
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 15  9  1  0  0  0  0
 16  9  2  0  0  0  0
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 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
  6  3  1  0  0  0  0
 10  8  2  0  0  0  0
 20 21  1  0  0  0  0
 19 27  2  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C21H18FN5O2S

>  <MolWeight> (196)
423.4633232

>  <Cat> (196)
P3273

>  <Name> (196)
WAY-270329

>  <Synonyms> (196)
N/A

>  <Target> (196)
protein kinase

>  <Form> (196)
free base

>  <CAS> (196)
721964-51-8

>  <URL> (196)
N/A

$$$$
WAY-270382
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11 16  2  0  0  0  0
 12  9  2  0  0  0  0
 13 20  2  0  0  0  0
 14  7  1  0  0  0  0
 15  7  2  0  0  0  0
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M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C16H10N2O3S2

>  <MolWeight> (197)
342.3922

>  <Cat> (197)
P3274

>  <Name> (197)
WAY-270382

>  <Synonyms> (197)
N/A

>  <Target> (197)
Metallo-b-lactamase,ASK1

>  <Form> (197)
free base

>  <CAS> (197)
1427537-93-6

>  <URL> (197)
N/A

$$$$
WAY-270444
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 20 22  1  0  0  0  0
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 14 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C17H16N2O3

>  <MolWeight> (198)
296.32054

>  <Cat> (198)
P3275

>  <Name> (198)
WAY-270444

>  <Synonyms> (198)
N/A

>  <Target> (198)
Hsp90,PDK4,PPAR

>  <Form> (198)
free base

>  <CAS> (198)
394237-61-7

>  <URL> (198)
N/A

$$$$
WAY-270599
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
199

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C17H11ClN2O4S

>  <MolWeight> (199)
374.79824

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P3276

>  <Name> (199)
WAY-270599

>  <Synonyms> (199)
N/A

>  <Target> (199)
FGFR1,TNFa

>  <Form> (199)
free base

>  <CAS> (199)
397281-20-8

>  <URL> (199)
N/A

$$$$
WAY-270947
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C17H14BrN7O

>  <MolWeight> (200)
412.24336

>  <Cat> (200)
P3277

>  <Name> (200)
WAY-270947

>  <Synonyms> (200)
N/A

>  <Target> (200)
ALK5

>  <Form> (200)
free base

>  <CAS> (200)
1198579-20-2

>  <URL> (200)
N/A

$$$$
WAY-270966
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C16H14BrN3OS2

>  <MolWeight> (201)
408.33586

>  <Cat> (201)
P3278

>  <Name> (201)
WAY-270966

>  <Synonyms> (201)
N/A

>  <Target> (201)
p38

>  <Form> (201)
free base

>  <CAS> (201)
421578-44-1

>  <URL> (201)
N/A

$$$$
WAY-270968
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C16H13FN2OS2

>  <MolWeight> (202)
332.4156232

>  <Cat> (202)
P3279

>  <Name> (202)
WAY-270968

>  <Synonyms> (202)
N/A

>  <Target> (202)
p38

>  <Form> (202)
free base

>  <CAS> (202)
421578-46-3

>  <URL> (202)
N/A

$$$$
WAY-320509
csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C18H17N3O2S

>  <MolWeight> (203)
339.41148

>  <Cat> (203)
P3327

>  <Name> (203)
WAY-320509

>  <Synonyms> (203)
N/A

>  <Target> (203)
Anti-infection,CDK8

>  <Form> (203)
free base

>  <CAS> (203)
314035-54-6

>  <URL> (203)
N/A

$$$$
WAY-320049
csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   -3.3973    0.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
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  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> (204)
204

>  <Formula> (204)
C13H17NO3S

>  <MolWeight> (204)
267.34398

>  <Cat> (204)
P3323

>  <Name> (204)
WAY-320049

>  <Synonyms> (204)
N/A

>  <Target> (204)
others

>  <Form> (204)
free base

>  <CAS> (204)
298193-11-0

>  <URL> (204)
N/A

$$$$
WAY-320080
csChFnd80/05202110422D

 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
    1.7138   -0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -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> (205)
205

>  <Formula> (205)
C14H13N3O2S

>  <MolWeight> (205)
287.33692

>  <Cat> (205)
P3324

>  <Name> (205)
WAY-320080

>  <Synonyms> (205)
N/A

>  <Target> (205)
glucokinase,heat shock protein 90

>  <Form> (205)
free base

>  <CAS> (205)
349549-38-8

>  <URL> (205)
N/A

$$$$
WAY-320081
csChFnd80/05202110422D

 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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   -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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   -3.4805    1.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0919    1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4495    1.5555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  6  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C14H13N3O2S

>  <MolWeight> (206)
287.33692

>  <Cat> (206)
P3325

>  <Name> (206)
WAY-320081

>  <Synonyms> (206)
N/A

>  <Target> (206)
glucokinase,heat shock protein 90

>  <Form> (206)
free base

>  <CAS> (206)
66780-67-4

>  <URL> (206)
N/A

$$$$
WAY-602219
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   -0.9125    0.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0875    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4000    0.9375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1833    0.6833    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  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  0  0  0  0
 12 10  1  0  0  0  0
 13  3  2  0  0  0  0
 14 12  2  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19 15  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
  6  8  2  0  0  0  0
 11  9  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C14H12N2O3S2

>  <MolWeight> (207)
320.38668

>  <Cat> (207)
P3430

>  <Name> (207)
WAY-602219

>  <Synonyms> (207)
N/A

>  <Target> (207)
Trypanosoma brucei hexokinase 

>  <Form> (207)
free base

>  <CAS> (207)
378197-09-2

>  <URL> (207)
N/A

$$$$
WAY-602746
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0292   -0.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9583    0.5708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    0.9833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3667    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417   -1.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8250    2.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7375    3.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  2  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8 11  2  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 12  2  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 19  2  0  0  0  0
 21 16  2  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
  2  4  1  0  0  0  0
 10  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C20H16N4O

>  <MolWeight> (208)
328.36724

>  <Cat> (208)
P3431

>  <Name> (208)
WAY-602746

>  <Synonyms> (208)
N/A

>  <Target> (208)
ROS 

>  <Form> (208)
free base

>  <CAS> (208)
370096-57-4

>  <URL> (208)
N/A

$$$$
WAY-603264
csChFnd80/05202110422D

 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
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   -1.7076    0.0091    0.0000 C   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
    1.3882   -1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8049    0.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7 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> (209)
209

>  <Formula> (209)
C8H12N2OS

>  <MolWeight> (209)
184.25868

>  <Cat> (209)
P3432

>  <Name> (209)
WAY-603264

>  <Synonyms> (209)
N/A

>  <Target> (209)
adenosine kinase

>  <Form> (209)
free base

>  <CAS> (209)
58350-40-6

>  <URL> (209)
N/A

$$$$
WAY-603359
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (210)
210

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C10H12ClN3O2

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241.67418

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P3433

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WAY-603359

>  <Synonyms> (210)
N/A

>  <Target> (210)
p38

>  <Form> (210)
free base

>  <CAS> (210)
329268-90-8

>  <URL> (210)
N/A

$$$$
WAY-634931
csChFnd80/05202110422D

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>  <Mol_ID> (211)
211

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C10H14O2

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166.21696

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P3482

>  <Name> (211)
WAY-634931

>  <Synonyms> (211)
N/A

>  <Target> (211)
GSK3,ROR gamma,CETP,metabotropic glutamate r

>  <Form> (211)
free base

>  <CAS> (211)
82683-51-0

>  <URL> (211)
N/A

$$$$
WAY-634964
csChFnd80/05202110422D

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>  <Mol_ID> (212)
212

>  <Formula> (212)
C9H7N3O2

>  <MolWeight> (212)
189.17078

>  <Cat> (212)
P3483

>  <Name> (212)
WAY-634964

>  <Synonyms> (212)
N/A

>  <Target> (212)
tyrosine kinase

>  <Form> (212)
free base

>  <CAS> (212)
157842-34-7

>  <URL> (212)
N/A

$$$$
WAY-634704
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C13H13ClN2O5S

>  <MolWeight> (213)
344.77072

>  <Cat> (213)
P3481

>  <Name> (213)
WAY-634704

>  <Synonyms> (213)
N/A

>  <Target> (213)
Aurora kinase A

>  <Form> (213)
free base

>  <CAS> (213)
781619-26-9

>  <URL> (213)
N/A

$$$$
WAY-635109
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C13H9N3O2S

>  <MolWeight> (214)
271.29446

>  <Cat> (214)
P3484

>  <Name> (214)
WAY-635109

>  <Synonyms> (214)
N/A

>  <Target> (214)
B-Raf

>  <Form> (214)
free base

>  <CAS> (214)
781622-25-1

>  <URL> (214)
N/A

$$$$
WAY-635114
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C13H11N3OS

>  <MolWeight> (215)
257.31094

>  <Cat> (215)
P3485

>  <Name> (215)
WAY-635114

>  <Synonyms> (215)
N/A

>  <Target> (215)
B-Raf

>  <Form> (215)
free base

>  <CAS> (215)
781622-52-4

>  <URL> (215)
N/A

$$$$
WAY-635319
csChFnd80/05202110422D

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>  <Mol_ID> (216)
216

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C16H14N2O3

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282.29396

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P3486

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WAY-635319

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N/A

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CDK

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free base

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N/A

$$$$
WAY-311677
csChFnd80/05202110422D

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217

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WAY-311677

>  <Synonyms> (217)
N/A

>  <Target> (217)
FAK

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free base

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19948-85-7

>  <URL> (217)
N/A

$$$$
CL-243214
csChFnd80/05202110422D

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CL-243214

>  <Synonyms> (218)
N/A

>  <Target> (218)
others

>  <Form> (218)
free base

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333785-55-0

>  <URL> (218)
N/A

$$$$
WAY-312187
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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219

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C16H13NO4

>  <MolWeight> (219)
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WAY-312187

>  <Synonyms> (219)
N/A

>  <Target> (219)
Pim-1

>  <Form> (219)
free base

>  <CAS> (219)
1609385-99-0

>  <URL> (219)
N/A

$$$$
WAY-230563
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (220)
220

>  <Formula> (220)
C17H12N2O2S

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308.35438

>  <Cat> (220)
P3758

>  <Name> (220)
WAY-230563

>  <Synonyms> (220)
N/A

>  <Target> (220)
serine/threonine kinase

>  <Form> (220)
free base

>  <CAS> (220)
93326-70-6

>  <URL> (220)
N/A

$$$$
WAY-235142
csChFnd80/05202110422D

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221

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>  <MolWeight> (221)
266.33762

>  <Cat> (221)
P3701

>  <Name> (221)
WAY-235142

>  <Synonyms> (221)
N/A

>  <Target> (221)
MtSk

>  <Form> (221)
free base

>  <CAS> (221)
380550-28-7

>  <URL> (221)
N/A

$$$$
WAY-311747
csChFnd80/05202110422D

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N/A

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MtSk

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free base

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381671-40-5

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N/A

$$$$
WAY-312484
csChFnd80/05202110422D

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>  <Mol_ID> (223)
223

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WAY-312484

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N/A

>  <Target> (223)
EGFR

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free base

>  <CAS> (223)
91769-08-3

>  <URL> (223)
N/A

$$$$
WAY-311753-A
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C16H15N3OS

>  <MolWeight> (224)
297.3748

>  <Cat> (224)
P3757

>  <Name> (224)
WAY-311753-A

>  <Synonyms> (224)
N/A

>  <Target> (224)
tyrosine kinase

>  <Form> (224)
free base

>  <CAS> (224)
345615-74-9

>  <URL> (224)
N/A

$$$$
WAY-310586-A
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C16H16N4OS2

>  <MolWeight> (225)
344.45444

>  <Cat> (225)
P3777

>  <Name> (225)
WAY-310586-A

>  <Synonyms> (225)
N/A

>  <Target> (225)
TAOK2

>  <Form> (225)
free base

>  <CAS> (225)
315705-95-4

>  <URL> (225)
N/A

$$$$
WAY-115880
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C16H22N2O2S

>  <MolWeight> (226)
306.42308

>  <Cat> (226)
P3756

>  <Name> (226)
WAY-115880

>  <Synonyms> (226)
N/A

>  <Target> (226)
FLT3

>  <Form> (226)
free base

>  <CAS> (226)
142995-02-6

>  <URL> (226)
N/A

$$$$
WAY-297848
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (227)
227

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C13H13ClN2O2S

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>  <Cat> (227)
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>  <Name> (227)
WAY-297848

>  <Synonyms> (227)
N/A

>  <Target> (227)
glucokinase

>  <Form> (227)
free base

>  <CAS> (227)
404360-27-6

>  <URL> (227)
N/A

$$$$
GI-568769
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C13H11ClN4

>  <MolWeight> (228)
258.70624

>  <Cat> (228)
P3689

>  <Name> (228)
GI-568769

>  <Synonyms> (228)
N/A

>  <Target> (228)
p90 Ribosomal S6 Protein Kinase 2

>  <Form> (228)
free base

>  <CAS> (228)
62001-32-5

>  <URL> (228)
N/A

$$$$
WAY-298129
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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 10  8  2  0  0  0  0
 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C13H15NO2S

>  <MolWeight> (229)
249.3287

>  <Cat> (229)
P3688

>  <Name> (229)
WAY-298129

>  <Synonyms> (229)
N/A

>  <Target> (229)
CLK1,DYRK,CLK,CK1,RB,kinase,ENT1,CK1,DYRK1A,

>  <Form> (229)
free base

>  <CAS> (229)
719277-26-6

>  <URL> (229)
N/A

$$$$
WAY-299338
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
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 15  8  1  0  0  0  0
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 20 19  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C17H16N2O3S

>  <MolWeight> (230)
328.38554

>  <Cat> (230)
P3775

>  <Name> (230)
WAY-299338

>  <Synonyms> (230)
N/A

>  <Target> (230)
PDK1

>  <Form> (230)
free base

>  <CAS> (230)
1005044-23-4

>  <URL> (230)
N/A

$$$$
WAY-322454
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  1  1  0  0  0  0
 12  8  2  0  0  0  0
 13  4  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  2  0  0  0  0
 16  9  2  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
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 23 15  1  0  0  0  0
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 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C17H20N4O2

>  <MolWeight> (231)
312.3663

>  <Cat> (231)
P3753

>  <Name> (231)
WAY-322454

>  <Synonyms> (231)
N/A

>  <Target> (231)
GRK6

>  <Form> (231)
free base

>  <CAS> (231)
1008244-02-7

>  <URL> (231)
N/A

$$$$
WAY-119064
csChFnd80/05202110422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C13H18N2O3S

>  <MolWeight> (232)
282.35862

>  <Cat> (232)
P3728

>  <Name> (232)
WAY-119064

>  <Synonyms> (232)
N/A

>  <Target> (232)
INK4C

>  <Form> (232)
free base

>  <CAS> (232)
1198098-03-1

>  <URL> (232)
N/A

$$$$
WAY-215718
csChFnd80/05202110422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C14H19N3

>  <MolWeight> (233)
229.32076

>  <Cat> (233)
P3684

>  <Name> (233)
WAY-215718

>  <Synonyms> (233)
N/A

>  <Target> (233)
5-HT Receptor,pp6othersc-Src tyrosine kinase

>  <Form> (233)
free base

>  <CAS> (233)
128175-06-4

>  <URL> (233)
N/A

$$$$
WAY-300046
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C12H13N3O2

>  <MolWeight> (234)
231.25052

>  <Cat> (234)
P3682

>  <Name> (234)
WAY-300046

>  <Synonyms> (234)
N/A

>  <Target> (234)
LtaS,herpes simplex viruses thymidine kinase

>  <Form> (234)
free base

>  <CAS> (234)
41648-10-6

>  <URL> (234)
N/A

$$$$
WAY-300063
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
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 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 11 13  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C16H13N3O3

>  <MolWeight> (235)
295.29272

>  <Cat> (235)
P3727

>  <Name> (235)
WAY-300063

>  <Synonyms> (235)
N/A

>  <Target> (235)
Tropomyosin-Related Kinase A,ATP-binding cas

>  <Form> (235)
free base

>  <CAS> (235)
296888-45-4

>  <URL> (235)
N/A

$$$$
WAY-299819
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0349   -1.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962   -2.7757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3962   -1.7653    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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 13 15  1  0  0  0  0
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  7 10  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C12H10ClNOS

>  <MolWeight> (236)
251.7319

>  <Cat> (236)
P3687

>  <Name> (236)
WAY-299819

>  <Synonyms> (236)
N/A

>  <Target> (236)
p38 MAPK,c-Jun-N-Terminal Kinase

>  <Form> (236)
free base

>  <CAS> (236)
346663-56-7

>  <URL> (236)
N/A

$$$$
WAY-300700
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.8279    1.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1451    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5342    2.5066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
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 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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 18 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C19H22N2O2

>  <MolWeight> (237)
310.39018

>  <Cat> (237)
P3751

>  <Name> (237)
WAY-300700

>  <Synonyms> (237)
N/A

>  <Target> (237)
HIV-1

>  <Form> (237)
free base

>  <CAS> (237)
428853-17-2

>  <URL> (237)
N/A

$$$$
WAY-300744
csChFnd80/05202110422D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2241   -0.0333    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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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7 13  2  0  0  0  0
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 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5  8  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C14H12Cl2N2O2S

>  <MolWeight> (238)
343.22828

>  <Cat> (238)
P3773

>  <Name> (238)
WAY-300744

>  <Synonyms> (238)
N/A

>  <Target> (238)
kinase

>  <Form> (238)
free base

>  <CAS> (238)
314284-06-5

>  <URL> (238)
N/A

$$$$
WAY-301205
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  8 13  1  0  0  0  0
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 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5  7  1  0  0  0  0
  9 13  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C16H20N2O2S2

>  <MolWeight> (239)
336.4722

>  <Cat> (239)
P3772

>  <Name> (239)
WAY-301205

>  <Synonyms> (239)
N/A

>  <Target> (239)
Mycobacterium tuberculosis shikimate kinase

>  <Form> (239)
free base

>  <CAS> (239)
330181-93-6

>  <URL> (239)
N/A

$$$$
WAY-301300
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    1.2000   -0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9310    0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5379    1.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9172   -0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6586   -0.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3655    0.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    1.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6655   -1.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3966   -2.8517    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
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
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  7 10  1  0  0  0  0
  9 13  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C16H17NO4

>  <MolWeight> (240)
287.31048

>  <Cat> (240)
P3726

>  <Name> (240)
WAY-301300

>  <Synonyms> (240)
N/A

>  <Target> (240)
Rho kinase,bacterial DNA adenine methyltrans

>  <Form> (240)
free base

>  <CAS> (240)
935279-95-1

>  <URL> (240)
N/A

$$$$
WAY-301398
csChFnd80/05202110422D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    2.7241    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.6172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1379    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1379   -0.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3448   -1.5966    0.0000 F   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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
  8 10  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C16H13FO4

>  <MolWeight> (241)
288.2704232

>  <Cat> (241)
P3750

>  <Name> (241)
WAY-301398

>  <Synonyms> (241)
N/A

>  <Target> (241)
arylamine Nacetyltransferase,Protein Kinase 

>  <Form> (241)
free base

>  <CAS> (241)
312607-68-4

>  <URL> (241)
N/A

$$$$
WAY-301464
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6698    0.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  9 10  2  0  0  0  0
 14 16  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C18H13N3O

>  <MolWeight> (242)
287.31532

>  <Cat> (242)
P3749

>  <Name> (242)
WAY-301464

>  <Synonyms> (242)
N/A

>  <Target> (242)
Pim-1

>  <Form> (242)
free base

>  <CAS> (242)
79492-49-2

>  <URL> (242)
N/A

$$$$
WAY-301503
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.1138    0.1966    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  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 10 14  2  0  0  0  0
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 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 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> (243)
243

>  <Formula> (243)
C14H9N3O4S

>  <MolWeight> (243)
315.30396

>  <Cat> (243)
P3748

>  <Name> (243)
WAY-301503

>  <Synonyms> (243)
N/A

>  <Target> (243)
CDK2

>  <Form> (243)
free base

>  <CAS> (243)
313530-30-2

>  <URL> (243)
N/A

$$$$
WAY-118985
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
  7  8  1  0  0  0  0
  9 11  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C13H12N4S2

>  <MolWeight> (244)
288.39118

>  <Cat> (244)
P3723

>  <Name> (244)
WAY-118985

>  <Synonyms> (244)
N/A

>  <Target> (244)
TAOK2

>  <Form> (244)
free base

>  <CAS> (244)
315704-83-7

>  <URL> (244)
N/A

$$$$
WAY-302159
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-303290
csChFnd80/05202110422D

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WAY-304800-A
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>  <Mol_ID> (251)
251

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N/A

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Mnk

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free base

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457911-10-3

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N/A

$$$$
WAY-383487
csChFnd80/05202110422D

 21 22  0  0  0  0  0  0  0  0999 V2000
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252

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WAY-383487

>  <Synonyms> (252)
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
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (253)
253

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C14H20N4O3

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WAY-232261

>  <Synonyms> (253)
N/A

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 PI3K

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free base

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332023-13-9

>  <URL> (253)
N/A

$$$$
WAY-340245
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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254

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WAY-340245

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N/A

>  <Target> (254)
ERK

>  <Form> (254)
free base

>  <CAS> (254)
350509-85-2

>  <URL> (254)
N/A

$$$$
WAY-340935
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (255)
255

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C15H11BrN2O

>  <MolWeight> (255)
315.16464

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>  <Name> (255)
WAY-340935

>  <Synonyms> (255)
N/A

>  <Target> (255)
VEGFR2 kinase

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free base

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737818-56-3

>  <URL> (255)
N/A

$$$$
WAY-341085
csChFnd80/05202110422D

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>  <Mol_ID> (256)
256

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352.40694

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P3769

>  <Name> (256)
WAY-341085

>  <Synonyms> (256)
N/A

>  <Target> (256)
Kinase

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free base

>  <CAS> (256)
383380-01-6

>  <URL> (256)
N/A

$$$$
WAY-346658
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C13H11ClN2O2S

>  <MolWeight> (257)
294.75664

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P3715

>  <Name> (257)
WAY-346658

>  <Synonyms> (257)
N/A

>  <Target> (257)
c-Jun N-terminal kinase

>  <Form> (257)
free base

>  <CAS> (257)
381714-44-9

>  <URL> (257)
N/A

$$$$
WAY-350471
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C14H18N4OS

>  <MolWeight> (258)
290.38392

>  <Cat> (258)
P3714

>  <Name> (258)
WAY-350471

>  <Synonyms> (258)
N/A

>  <Target> (258)
IRAK

>  <Form> (258)
free base

>  <CAS> (258)
785705-53-5

>  <URL> (258)
N/A

$$$$
WAY-352563
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4702    3.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  5  2  0  0  0  0
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 18 21  1  0  0  0  0
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M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C18H14O4

>  <MolWeight> (259)
294.30136

>  <Cat> (259)
P3743

>  <Name> (259)
WAY-352563

>  <Synonyms> (259)
N/A

>  <Target> (259)
CDK

>  <Form> (259)
free base

>  <CAS> (259)
505051-04-7

>  <URL> (259)
N/A

$$$$
GI-505946
csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C12H9Cl2N3O

>  <MolWeight> (260)
282.12536

>  <Cat> (260)
P3713

>  <Name> (260)
GI-505946

>  <Synonyms> (260)
N/A

>  <Target> (260)
p38

>  <Form> (260)
free base

>  <CAS> (260)
13142-47-7

>  <URL> (260)
N/A

$$$$
WAY-354896
csChFnd80/05202110422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 17  1  0  0  0  0
 11  1  1  0  0  0  0
 12  2  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  0  0  0  0
 16  7  1  0  0  0  0
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M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C18H16O5

>  <MolWeight> (261)
312.31664

>  <Cat> (261)
P3742

>  <Name> (261)
WAY-354896

>  <Synonyms> (261)
N/A

>  <Target> (261)
PKR,PERK

>  <Form> (261)
free base

>  <CAS> (261)
136498-37-8

>  <URL> (261)
N/A

$$$$
WAY-380496
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (262)
262

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N/A

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DAPK

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free base

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304000-05-3

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N/A

$$$$
WAY-381332
csChFnd80/05202110422D

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>  <Mol_ID> (263)
263

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C13H10N2O2S2

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WAY-381332

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N/A

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CDK9 

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free base

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380163-63-3

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N/A

$$$$
WAY-332656
csChFnd80/05202110422D

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>  <Mol_ID> (264)
264

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C18H13ClN4O2

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352.77442

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P3695

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WAY-332656

>  <Synonyms> (264)
N/A

>  <Target> (264)
Protein kinase C epsilon signaling

>  <Form> (264)
free base

>  <CAS> (264)
904458-98-6

>  <URL> (264)
N/A

$$$$
WAY-601017
csChFnd80/05202110422D

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>  <Mol_ID> (265)
265

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C25H22N6O3S

>  <MolWeight> (265)
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P3426

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WAY-601017

>  <Synonyms> (265)
N/A

>  <Target> (265)
 PI3K

>  <Form> (265)
free base

>  <CAS> (265)
300375-81-9

>  <URL> (265)
N/A

$$$$
WAY-601035
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C13H9N3OS

>  <MolWeight> (266)
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WAY-601035

>  <Synonyms> (266)
N/A

>  <Target> (266)
 PI3K

>  <Form> (266)
free base

>  <CAS> (266)
304645-61-2

>  <URL> (266)
N/A

$$$$
WAY-614915
csChFnd80/05202110422D

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>  <Mol_ID> (267)
267

>  <Formula> (267)
C14H14N4S

>  <MolWeight> (267)
270.35276

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P3452

>  <Name> (267)
WAY-614915

>  <Synonyms> (267)
N/A

>  <Target> (267)
Casein kinase 1¦Ä

>  <Form> (267)
free base

>  <CAS> (267)
450394-66-8

>  <URL> (267)
N/A

$$$$
WAY-615029
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (268)
268

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C14H15N3O4S

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WAY-615029

>  <Synonyms> (268)
N/A

>  <Target> (268)
Kinase

>  <Form> (268)
free base

>  <CAS> (268)
730945-59-2

>  <URL> (268)
N/A

$$$$
WAY-632613
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13  3  2  0  0  0  0
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M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C15H14N2O3S

>  <MolWeight> (269)
302.34826

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P3476

>  <Name> (269)
WAY-632613

>  <Synonyms> (269)
N/A

>  <Target> (269)
p38

>  <Form> (269)
free base

>  <CAS> (269)
731816-85-6

>  <URL> (269)
N/A

$$$$
WAY-632896
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C14H13N3OS

>  <MolWeight> (270)
271.33752

>  <Cat> (270)
P3477

>  <Name> (270)
WAY-632896

>  <Synonyms> (270)
N/A

>  <Target> (270)
CDK9,GSK-3

>  <Form> (270)
free base

>  <CAS> (270)
784170-07-6

>  <URL> (270)
N/A

$$$$
WAY-632963-A
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C11H12ClN3O

>  <MolWeight> (271)
237.68548

>  <Cat> (271)
P3478

>  <Name> (271)
WAY-632963

>  <Synonyms> (271)
N/A

>  <Target> (271)
Aurora kinase A

>  <Form> (271)
free base

>  <CAS> (271)
900640-73-5

>  <URL> (271)
N/A

$$$$
WAY-633334
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  2  0  0  0  0
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 15  6  1  0  0  0  0
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 19  3  1  0  0  0  0
 20  2  1  0  0  0  0
 21  5  1  0  0  0  0
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 14 12  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C15H15N3O2S

>  <MolWeight> (272)
301.3635

>  <Cat> (272)
P3479

>  <Name> (272)
WAY-633334

>  <Synonyms> (272)
N/A

>  <Target> (272)
Casein kinase 1¦Ä

>  <Form> (272)
free base

>  <CAS> (272)
757224-44-5

>  <URL> (272)
N/A

$$$$
WAY-633877
csChFnd80/05202110422D

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  8 12  2  0  0  0  0
  9 14  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  2  0  0  0  0
 14  6  1  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
 18 23  1  0  0  0  0
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 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 15  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 25 10  1  0  0  0  0
 26 14  1  0  0  0  0
 27 24  1  0  0  0  0
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 29 27  1  0  0  0  0
 10  7  2  0  0  0  0
  8  5  1  0  0  0  0
 11  9  1  0  0  0  0
 29 28  1  0  0  0  0
 18 16  2  0  0  0  0
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M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C21H19N5O3

>  <MolWeight> (273)
389.40726

>  <Cat> (273)
P3480

>  <Name> (273)
WAY-633877

>  <Synonyms> (273)
N/A

>  <Target> (273)
Casein kinase 1¦Ä

>  <Form> (273)
free base

>  <CAS> (273)
782452-74-8

>  <URL> (273)
N/A

$$$$
WAY-652435
csChFnd80/05202110422D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9  6  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
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  3  5  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C9H15N3O

>  <MolWeight> (274)
181.2349

>  <Cat> (274)
P3514

>  <Name> (274)
WAY-652435

>  <Synonyms> (274)
N/A

>  <Target> (274)
P2Y12,tankyrase,Aurora Kinase

>  <Form> (274)
free base

>  <CAS> (274)
173850-51-6

>  <URL> (274)
N/A

$$$$
WAY-652509
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.1555    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1431    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0143    7.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5745    6.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7176    6.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0060    6.2412    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  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  2  0  0  0  0
 15  9  1  0  0  0  0
 16  8  2  0  0  0  0
 17 10  2  0  0  0  0
 18 19  2  0  0  0  0
 19 17  1  0  0  0  0
 14 13  1  0  0  0  0
  3  9  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C15H12ClN3

>  <MolWeight> (275)
269.72888

>  <Cat> (275)
P3515

>  <Name> (275)
WAY-652509

>  <Synonyms> (275)
N/A

>  <Target> (275)
quinone reductase 2,Casein kinase 1¦Ä

>  <Form> (275)
free base

>  <CAS> (275)
854355-54-7

>  <URL> (275)
N/A

$$$$
WAY-652641
csChFnd80/05202110422D

 14 14  0  0  0  0  0  0  0  0999 V2000
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   -2.5708   -0.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542    1.5125    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  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  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 12  1  0  0  0  0
 14 12  1  0  0  0  0
  3  4  2  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C9H14N2O3

>  <MolWeight> (276)
198.21906

>  <Cat> (276)
P3516

>  <Name> (276)
WAY-652641

>  <Synonyms> (276)
N/A

>  <Target> (276)
CDK

>  <Form> (276)
free base

>  <CAS> (276)
852851-73-1

>  <URL> (276)
N/A

$$$$
WAY-652848
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.3667   -1.5375    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
  3  1  1  0  0  0  0
  4  9  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  8  7  1  0  0  0  0
  9 11  2  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 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
 19  4  1  0  0  0  0
 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
 24 22  1  0  0  0  0
 25 21  1  0  0  0  0
 13 12  2  0  0  0  0
 16 14  2  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C17H17F3N2O3

>  <MolWeight> (277)
354.3236896

>  <Cat> (277)
P3517

>  <Name> (277)
WAY-652848

>  <Synonyms> (277)
N/A

>  <Target> (277)
SRPK kinase 

>  <Form> (277)
free base

>  <CAS> (277)
848057-98-7

>  <URL> (277)
N/A

$$$$
WAY-653005
csChFnd80/05202110422D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  8  2  0  0  0  0
  7  4  2  0  0  0  0
  8  5  1  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
 13 10  1  0  0  0  0
 13 11  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C11H15NO

>  <MolWeight> (278)
177.2429

>  <Cat> (278)
P3518

>  <Name> (278)
WAY-653005

>  <Synonyms> (278)
N/A

>  <Target> (278)
others

>  <Form> (278)
free base

>  <CAS> (278)
74190-66-2

>  <URL> (278)
N/A

$$$$
WAY-271413
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
279

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C20H15N3O4S

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393.4158

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P3282

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WAY-271413

>  <Synonyms> (279)
N/A

>  <Target> (279)
GSK-3¦Â

>  <Form> (279)
free base

>  <CAS> (279)
536731-65-4

>  <URL> (279)
N/A

$$$$
WAY-271999
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (280)
280

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C11H7ClN2O3

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WAY-271999

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N/A

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c-Met

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free base

>  <CAS> (280)
147920-34-1

>  <URL> (280)
N/A

$$$$
WAY-272077
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (281)
281

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C14H14N2O3S

>  <MolWeight> (281)
290.33756

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P3284

>  <Name> (281)
WAY-272077

>  <Synonyms> (281)
N/A

>  <Target> (281)
sphingosine kinase

>  <Form> (281)
free base

>  <CAS> (281)
1415662-57-5

>  <URL> (281)
N/A

$$$$
WAY-272130
csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (282)
282

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C18H12N2O5S

>  <MolWeight> (282)
368.36328

>  <Cat> (282)
P3285

>  <Name> (282)
WAY-272130

>  <Synonyms> (282)
N/A

>  <Target> (282)
FGFR1

>  <Form> (282)
free base

>  <CAS> (282)
442534-83-0

>  <URL> (282)
N/A

$$$$
WAY-272324
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (283)
283

>  <Formula> (283)
C16H11NO5S

>  <MolWeight> (283)
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>  <Cat> (283)
P3286

>  <Name> (283)
WAY-272324

>  <Synonyms> (283)
N/A

>  <Target> (283)
 PI3K

>  <Form> (283)
free base

>  <CAS> (283)
900515-01-7

>  <URL> (283)
N/A

$$$$
WAY-272449
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (284)
284

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C17H11ClN2O3S

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>  <Cat> (284)
P3287

>  <Name> (284)
WAY-272449

>  <Synonyms> (284)
N/A

>  <Target> (284)
FGFR1

>  <Form> (284)
free base

>  <CAS> (284)
670266-26-9

>  <URL> (284)
N/A

$$$$
WAY-272589
csChFnd80/05202110422D

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 14  8  2  0  0  0  0
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M  END
>  <Mol_ID> (285)
285

>  <Formula> (285)
C16H15N3O2S2

>  <MolWeight> (285)
345.4392

>  <Cat> (285)
P3288

>  <Name> (285)
WAY-272589

>  <Synonyms> (285)
N/A

>  <Target> (285)
pin1

>  <Form> (285)
free base

>  <CAS> (285)
637325-53-2

>  <URL> (285)
N/A

$$$$
WAY-320008
csChFnd80/05202110422D

 24 27  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  9  1  0  0  0  0
  5 10  1  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
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 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 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> (286)
286

>  <Formula> (286)
C20H16N4

>  <MolWeight> (286)
312.36784

>  <Cat> (286)
P3322

>  <Name> (286)
WAY-320008

>  <Synonyms> (286)
N/A

>  <Target> (286)
tropomyosin-related kinase a

>  <Form> (286)
free base

>  <CAS> (286)
128889-33-8

>  <URL> (286)
N/A

$$$$
WAY-320426
csChFnd80/05202110422D

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 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
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 16  3  1  0  0  0  0
 17  9  2  0  0  0  0
 18 17  1  0  0  0  0
 19  6  1  0  0  0  0
 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> (287)
287

>  <Formula> (287)
C14H14ClN3O2

>  <MolWeight> (287)
291.73286

>  <Cat> (287)
P3326

>  <Name> (287)
WAY-320426

>  <Synonyms> (287)
N/A

>  <Target> (287)
Anti-infection

>  <Form> (287)
free base

>  <CAS> (287)
312601-47-1

>  <URL> (287)
N/A

$$$$
WAY-635767
csChFnd80/05202110422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 10  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14 16  2  0  0  0  0
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 15 14  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C12H12ClN3O

>  <MolWeight> (288)
249.69618

>  <Cat> (288)
P3488

>  <Name> (288)
WAY-635767

>  <Synonyms> (288)
N/A

>  <Target> (288)
Aurora kinase A

>  <Form> (288)
free base

>  <CAS> (288)
790232-33-6

>  <URL> (288)
N/A

$$$$
WAY-654447
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  2  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 17  2  0  0  0  0
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 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  4  1  0  0  0  0
 19  8  1  0  0  0  0
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 22 21  1  0  0  0  0
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 22 19  2  0  0  0  0
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M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C16H14N4O2

>  <MolWeight> (289)
294.30796

>  <Cat> (289)
P3519

>  <Name> (289)
WAY-654447

>  <Synonyms> (289)
N/A

>  <Target> (289)
FLT3,Androgen Receptor

>  <Form> (289)
free base

>  <CAS> (289)
852304-07-5

>  <URL> (289)
N/A

$$$$
CL-16859
csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 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> (290)
290

>  <Formula> (290)
C14H20N2O2

>  <MolWeight> (290)
248.3208

>  <Cat> (290)
P3254

>  <Name> (290)
CL-16859

>  <Synonyms> (290)
N/A

>  <Target> (290)
Anti-infection 

>  <Form> (290)
free base

>  <CAS> (290)
438025-86-6

>  <URL> (290)
N/A

$$$$
WAY-320706
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 13 21  1  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C13H11ClN6OS2

>  <MolWeight> (291)
366.84904

>  <Cat> (291)
P3328

>  <Name> (291)
WAY-320706

>  <Synonyms> (291)
N/A

>  <Target> (291)
Anti-infection, ATOH-1

>  <Form> (291)
free base

>  <CAS> (291)
370092-42-5

>  <URL> (291)
N/A

$$$$
WAY-320774
csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
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 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
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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C19H16N4O2S

>  <MolWeight> (292)
364.42094

>  <Cat> (292)
P3329

>  <Name> (292)
WAY-320774

>  <Synonyms> (292)
N/A

>  <Target> (292)
Kanamycin Resistance Enzyme Eis

>  <Form> (292)
free base

>  <CAS> (292)
425653-38-9

>  <URL> (292)
N/A

$$$$
WAY-320951
csChFnd80/05202110422D

 22 24  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
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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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 16 18  1  0  0  0  0
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 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> (293)
293

>  <Formula> (293)
C14H11N3O4S

>  <MolWeight> (293)
317.31984

>  <Cat> (293)
P3330

>  <Name> (293)
WAY-320951

>  <Synonyms> (293)
N/A

>  <Target> (293)
Anti-infection

>  <Form> (293)
free base

>  <CAS> (293)
430444-03-4

>  <URL> (293)
N/A

$$$$
WAY-321002
csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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 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> (294)
294

>  <Formula> (294)
C20H16N4

>  <MolWeight> (294)
312.36784

>  <Cat> (294)
P3331

>  <Name> (294)
WAY-321002

>  <Synonyms> (294)
N/A

>  <Target> (294)
EGFR,PDE-5,TGF-¦Â,p38-¦Á,

>  <Form> (294)
free base

>  <CAS> (294)
166039-38-9

>  <URL> (294)
N/A

$$$$
WAY-321364
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C21H17N3O4

>  <MolWeight> (295)
375.37738

>  <Cat> (295)
P3332

>  <Name> (295)
WAY-321364

>  <Synonyms> (295)
N/A

>  <Target> (295)
casein kinase 2

>  <Form> (295)
free base

>  <CAS> (295)
385389-39-9

>  <URL> (295)
N/A

$$$$
WAY-321366
csChFnd80/05202110422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   -4.6791   -0.2483    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  1  0  0  0  0
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  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
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 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> (296)
296

>  <Formula> (296)
C20H14ClN3O3

>  <MolWeight> (296)
379.79646

>  <Cat> (296)
P3333

>  <Name> (296)
WAY-321366

>  <Synonyms> (296)
N/A

>  <Target> (296)
tyrosine kinase

>  <Form> (296)
free base

>  <CAS> (296)
370854-75-4

>  <URL> (296)
N/A

$$$$
WAY-321582-A
csChFnd80/05202110422D

 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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  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> (297)
297

>  <Formula> (297)
C13H11N3O

>  <MolWeight> (297)
225.24594

>  <Cat> (297)
P3334

>  <Name> (297)
WAY-321582-A

>  <Synonyms> (297)
N/A

>  <Target> (297)
casein kinase 2

>  <Form> (297)
free base

>  <CAS> (297)
34116-16-0

>  <URL> (297)
N/A

$$$$
WAY-321873
csChFnd80/05202110422D

 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
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  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> (298)
298

>  <Formula> (298)
C21H17N5O4S

>  <MolWeight> (298)
435.45578

>  <Cat> (298)
P3335

>  <Name> (298)
WAY-321873

>  <Synonyms> (298)
N/A

>  <Target> (298)
 GATA4-NKX2-5,AKT

>  <Form> (298)
free base

>  <CAS> (298)
547704-53-0

>  <URL> (298)
N/A

$$$$
WAY-321961
csChFnd80/05202110422D

 16 18  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  2  1  0  0  0  0
  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
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
  6  4  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C12H11NO3

>  <MolWeight> (299)
217.22064

>  <Cat> (299)
P3336

>  <Name> (299)
WAY-321961

>  <Synonyms> (299)
N/A

>  <Target> (299)
protein kinase D

>  <Form> (299)
free base

>  <CAS> (299)
370586-05-3

>  <URL> (299)
N/A

$$$$
WAY-322545
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.4167   -0.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
 20 14  1  0  0  0  0
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 22 19  1  0  0  0  0
 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> (300)
300

>  <Formula> (300)
C17H19ClN2O3

>  <MolWeight> (300)
334.79736

>  <Cat> (300)
P3337

>  <Name> (300)
WAY-322545

>  <Synonyms> (300)
N/A

>  <Target> (300)
GSK-3¦Á/¦Â

>  <Form> (300)
free base

>  <CAS> (300)
451449-70-0

>  <URL> (300)
N/A

$$$$
WAY-322940
csChFnd80/05202110422D

 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
    5.5522    4.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (301)
301

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C22H20N4O4S

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WAY-322940

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N/A

>  <Target> (301)
Rho 

>  <Form> (301)
free base

>  <CAS> (301)
445267-51-6

>  <URL> (301)
N/A

$$$$
WAY-604116
csChFnd80/05202110422D

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>  <Mol_ID> (302)
302

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C17H22N2O

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270.36938

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P3436

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WAY-604116

>  <Synonyms> (302)
N/A

>  <Target> (302)
sphingosine kinase,11¦Â-hydroxysteroid dehyd

>  <Form> (302)
free base

>  <CAS> (302)
121768-39-6

>  <URL> (302)
N/A

$$$$
WAY-603610
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C17H19N3OS

>  <MolWeight> (303)
313.41726

>  <Cat> (303)
P3434

>  <Name> (303)
WAY-603610

>  <Synonyms> (303)
N/A

>  <Target> (303)
GSK3

>  <Form> (303)
free base

>  <CAS> (303)
380450-97-5

>  <URL> (303)
N/A

$$$$
WAY-603814
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (304)
304

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C16H13ClN2O3

>  <MolWeight> (304)
316.73902

>  <Cat> (304)
P3435

>  <Name> (304)
WAY-603814

>  <Synonyms> (304)
N/A

>  <Target> (304)
FGFR1, HSP 90 

>  <Form> (304)
free base

>  <CAS> (304)
308298-51-3

>  <URL> (304)
N/A

$$$$
WAY-636900
csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Name> (305)
WAY-636900

>  <Synonyms> (305)
N/A

>  <Target> (305)
Aurora kinase A

>  <Form> (305)
free base

>  <CAS> (305)
792965-51-6

>  <URL> (305)
N/A

$$$$
WAY-636982
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C10H14N2O4

>  <MolWeight> (306)
226.22916

>  <Cat> (306)
P3490

>  <Name> (306)
WAY-636982

>  <Synonyms> (306)
N/A

>  <Target> (306)
Aurora kinase A

>  <Form> (306)
free base

>  <CAS> (306)
834-45-7

>  <URL> (306)
N/A

$$$$
WAY-637081
csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 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
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 21  6  1  0  0  0  0
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 17 18  2  0  0  0  0
 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C17H11ClN4O2

>  <MolWeight> (307)
338.74784

>  <Cat> (307)
P3491

>  <Name> (307)
WAY-637081

>  <Synonyms> (307)
N/A

>  <Target> (307)
VEGFR2,Casein kinase 1d

>  <Form> (307)
free base

>  <CAS> (307)
793722-88-0

>  <URL> (307)
N/A

$$$$
WAY-637493
csChFnd80/05202110422D

 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
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 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
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  4  8  1  0  0  0  0
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 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C18H14N4O3

>  <MolWeight> (308)
334.32876

>  <Cat> (308)
P3492

>  <Name> (308)
WAY-637493

>  <Synonyms> (308)
N/A

>  <Target> (308)
Fyn

>  <Form> (308)
free base

>  <CAS> (308)
791600-64-1

>  <URL> (308)
N/A

$$$$
WAY-637845
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C10H10INO

>  <MolWeight> (309)
287.09697

>  <Cat> (309)
P3493

>  <Name> (309)
WAY-637845

>  <Synonyms> (309)
N/A

>  <Target> (309)
others

>  <Form> (309)
free base

>  <CAS> (309)
794539-14-3

>  <URL> (309)
N/A

$$$$
WAY-655860
csChFnd80/05202110422D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C13H11N3S

>  <MolWeight> (310)
241.31154

>  <Cat> (310)
P3520

>  <Name> (310)
WAY-655860

>  <Synonyms> (310)
N/A

>  <Target> (310)
B-Raf

>  <Form> (310)
free base

>  <CAS> (310)
63895-45-4

>  <URL> (310)
N/A

$$$$
WAY-655978
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C16H12ClN3OS

>  <MolWeight> (311)
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P3521

>  <Name> (311)
WAY-655978

>  <Synonyms> (311)
N/A

>  <Target> (311)
ROCK, ERK, GSK, and AGC

>  <Form> (311)
free base

>  <CAS> (311)
692869-98-0

>  <URL> (311)
N/A

$$$$
WAY-656283
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (312)
312

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C12H11NO3S

>  <MolWeight> (312)
249.28564

>  <Cat> (312)
P3522

>  <Name> (312)
WAY-656283

>  <Synonyms> (312)
N/A

>  <Target> (312)
p38

>  <Form> (312)
free base

>  <CAS> (312)
263270-62-8

>  <URL> (312)
N/A

$$$$
WAY-656935
csChFnd80/05202110422D

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  2  1  2  0  0  0  0
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 13  8  2  0  0  0  0
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M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C17H15N3O2S

>  <MolWeight> (313)
325.3849

>  <Cat> (313)
P3523

>  <Name> (313)
WAY-656935

>  <Synonyms> (313)
N/A

>  <Target> (313)
 ROCK, ERK, GSK, and AGC 

>  <Form> (313)
free base

>  <CAS> (313)
852902-81-9

>  <URL> (313)
N/A

$$$$
WAY-657460
csChFnd80/05202110422D

 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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 17 20  1  0  0  0  0
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 20  8  2  0  0  0  0
 21  8  1  0  0  0  0
 22 16  2  0  0  0  0
 23 15  1  0  0  0  0
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M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C17H15N3O2S

>  <MolWeight> (314)
325.3849

>  <Cat> (314)
P3524

>  <Name> (314)
WAY-657460

>  <Synonyms> (314)
N/A

>  <Target> (314)
 ROCK, ERK, GSK, and AGC 

>  <Form> (314)
free base

>  <CAS> (314)
853325-19-6

>  <URL> (314)
N/A

$$$$
WAY-323534
csChFnd80/05202110422D

 25 28  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
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M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C20H16ClN3O

>  <MolWeight> (315)
349.81354

>  <Cat> (315)
P3339

>  <Name> (315)
WAY-323534

>  <Synonyms> (315)
N/A

>  <Target> (315)
PASK

>  <Form> (315)
free base

>  <CAS> (315)
854040-96-3

>  <URL> (315)
N/A

$$$$
WAY-323878-A
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C16H14N2O

>  <MolWeight> (316)
250.29516

>  <Cat> (316)
P3340

>  <Name> (316)
WAY-323878-A

>  <Synonyms> (316)
N/A

>  <Target> (316)
CDK

>  <Form> (316)
free base

>  <CAS> (316)
1185726-51-5

>  <URL> (316)
N/A

$$$$
WAY-323879
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C15H14N2O

>  <MolWeight> (317)
238.28446

>  <Cat> (317)
P3341

>  <Name> (317)
WAY-323879

>  <Synonyms> (317)
N/A

>  <Target> (317)
CDK

>  <Form> (317)
free base

>  <CAS> (317)
685097-43-2

>  <URL> (317)
N/A

$$$$
WAY-324418
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C11H10N4O2S

>  <MolWeight> (318)
262.2877

>  <Cat> (318)
P3342

>  <Name> (318)
WAY-324418

>  <Synonyms> (318)
N/A

>  <Target> (318)
Anti-infection

>  <Form> (318)
free base

>  <CAS> (318)
681838-49-3

>  <URL> (318)
N/A

$$$$
WAY-324420
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C12H12N4O2S

>  <MolWeight> (319)
276.31428

>  <Cat> (319)
P3343

>  <Name> (319)
WAY-324420

>  <Synonyms> (319)
N/A

>  <Target> (319)
Anti-infection

>  <Form> (319)
free base

>  <CAS> (319)
681838-50-6

>  <URL> (319)
N/A

$$$$
WAY-324709
csChFnd80/05202110422D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C15H9FN2O3

>  <MolWeight> (320)
284.2419632

>  <Cat> (320)
P3344

>  <Name> (320)
WAY-324709

>  <Synonyms> (320)
N/A

>  <Target> (320)
ATP-kinase

>  <Form> (320)
free base

>  <CAS> (320)
69785-85-9

>  <URL> (320)
N/A

$$$$
WAY-325065
csChFnd80/05202110422D

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 10  7  1  0  0  0  0
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M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C16H17N7S

>  <MolWeight> (321)
339.41808

>  <Cat> (321)
P3345

>  <Name> (321)
WAY-325065

>  <Synonyms> (321)
N/A

>  <Target> (321)
MtSk

>  <Form> (321)
free base

>  <CAS> (321)
689762-76-3

>  <URL> (321)
N/A

$$$$
WAY-325185
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
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>  <MolWeight> (322)
343.38034

>  <Cat> (322)
P3346

>  <Name> (322)
WAY-325185

>  <Synonyms> (322)
N/A

>  <Target> (322)
VEGFR

>  <Form> (322)
free base

>  <CAS> (322)
342785-98-2

>  <URL> (322)
N/A

$$$$
WAY-325484
csChFnd80/05202110422D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (323)
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WAY-325484

>  <Synonyms> (323)
N/A

>  <Target> (323)
CDK8

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free base

>  <CAS> (323)
642002-74-2

>  <URL> (323)
N/A

$$$$
WAY-325485
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (324)
324

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C17H13N3O

>  <MolWeight> (324)
275.30462

>  <Cat> (324)
P3348

>  <Name> (324)
WAY-325485

>  <Synonyms> (324)
N/A

>  <Target> (324)
Others

>  <Form> (324)
free base

>  <CAS> (324)
177937-81-4

>  <URL> (324)
N/A

$$$$
WAY-325487
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C17H12FN3O

>  <MolWeight> (325)
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>  <Cat> (325)
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>  <Name> (325)
WAY-325487

>  <Synonyms> (325)
N/A

>  <Target> (325)
Others

>  <Form> (325)
free base

>  <CAS> (325)
575471-15-7

>  <URL> (325)
N/A

$$$$
WAY-325490
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (326)
326

>  <Formula> (326)
C16H10ClN3O

>  <MolWeight> (326)
295.7231

>  <Cat> (326)
P3350

>  <Name> (326)
WAY-325490

>  <Synonyms> (326)
N/A

>  <Target> (326)
mitogen activated protein kinase-activated p

>  <Form> (326)
free base

>  <CAS> (326)
77607-70-6

>  <URL> (326)
N/A

$$$$
WAY-606344
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (327)
327

>  <Formula> (327)
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>  <MolWeight> (327)
285.68522

>  <Cat> (327)
P3437

>  <Name> (327)
WAY-606344

>  <Synonyms> (327)
N/A

>  <Target> (327)
Casein kinase 1d

>  <Form> (327)
free base

>  <CAS> (327)
380423-28-9

>  <URL> (327)
N/A

$$$$
WAY-606954
csChFnd80/05202110422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C18H20N4O

>  <MolWeight> (328)
308.3776

>  <Cat> (328)
P3438

>  <Name> (328)
WAY-606954

>  <Synonyms> (328)
N/A

>  <Target> (328)
GSK3

>  <Form> (328)
free base

>  <CAS> (328)
748145-12-2

>  <URL> (328)
N/A

$$$$
WAY-606956
csChFnd80/05202110422D

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 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  2  0  0  0  0
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  3  5  1  0  0  0  0
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 21 16  2  0  0  0  0
M  END
>  <Mol_ID> (329)
329

>  <Formula> (329)
C18H20N4O

>  <MolWeight> (329)
308.3776

>  <Cat> (329)
P3439

>  <Name> (329)
WAY-606956

>  <Synonyms> (329)
N/A

>  <Target> (329)
GSK3

>  <Form> (329)
free base

>  <CAS> (329)
748145-19-9

>  <URL> (329)
N/A

$$$$
WAY-606957
csChFnd80/05202110422D

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 13  7  1  0  0  0  0
 14  7  2  0  0  0  0
 15  5  1  0  0  0  0
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 22 15  2  0  0  0  0
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  9 10  2  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C18H20N4O

>  <MolWeight> (330)
308.3776

>  <Cat> (330)
P3440

>  <Name> (330)
WAY-606957

>  <Synonyms> (330)
N/A

>  <Target> (330)
GSK3

>  <Form> (330)
free base

>  <CAS> (330)
1062138-03-7

>  <URL> (330)
N/A

$$$$
WAY-606958
csChFnd80/05202110422D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  6  2  2  0  0  0  0
  7  1  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15  5  1  0  0  0  0
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  4  9  2  0  0  0  0
 10  8  2  0  0  0  0
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M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C23H23N5O

>  <MolWeight> (331)
385.46162

>  <Cat> (331)
P3441

>  <Name> (331)
WAY-606958

>  <Synonyms> (331)
N/A

>  <Target> (331)
Casein kinase 1¦Ä

>  <Form> (331)
free base

>  <CAS> (331)
882220-11-3

>  <URL> (331)
N/A

$$$$
WAY-297342
csChFnd80/05202110422D

 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
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  2  6  1  0  0  0  0
  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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 11 14  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> (332)
332

>  <Formula> (332)
C15H15N3O2S

>  <MolWeight> (332)
301.3635

>  <Cat> (332)
P3298

>  <Name> (332)
WAY-297342

>  <Synonyms> (332)
N/A

>  <Target> (332)
Anti-infection,FLT3,SirT1,ATP-utilizing enzy

>  <Form> (332)
free base

>  <CAS> (332)
298207-49-5

>  <URL> (332)
N/A

$$$$
WAY-297629
csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
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 15 19  2  0  0  0  0
 17 20  2  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C21H18N2O3

>  <MolWeight> (333)
346.37922

>  <Cat> (333)
P3299

>  <Name> (333)
WAY-297629

>  <Synonyms> (333)
N/A

>  <Target> (333)
VEGFR2

>  <Form> (333)
free base

>  <CAS> (333)
371213-22-8

>  <URL> (333)
N/A

$$$$
GI-569525
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.3625    1.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763    1.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3168    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0341    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4763   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3625   -0.4358    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7590    3.4711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2694   -2.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3341   -3.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
  5  7  1  0  0  0  0
 12 15  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C18H17NO4S

>  <MolWeight> (334)
343.39688

>  <Cat> (334)
P3260

>  <Name> (334)
GI-569525

>  <Synonyms> (334)
N/A

>  <Target> (334)
Anti-infection

>  <Form> (334)
free base

>  <CAS> (334)
96334-43-9

>  <URL> (334)
N/A

$$$$
WAY-298041
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.0586   -0.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9690   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9345    0.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4345   -1.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    0.2103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2862   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7862    0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5207   -0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 10  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C17H15N3O2

>  <MolWeight> (335)
293.3199

>  <Cat> (335)
P3300

>  <Name> (335)
WAY-298041

>  <Synonyms> (335)
N/A

>  <Target> (335)
c-Met

>  <Form> (335)
free base

>  <CAS> (335)
299405-67-7

>  <URL> (335)
N/A

$$$$
WAY-298350
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.5005   -5.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0735   -4.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3310   -5.8010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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
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   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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   14.5640   -8.2515    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> (336)
336

>  <Formula> (336)
C17H17NO3

>  <MolWeight> (336)
283.32178

>  <Cat> (336)
P3301

>  <Name> (336)
WAY-298350

>  <Synonyms> (336)
N/A

>  <Target> (336)
A kinase anchor protein/protein kinase A int

>  <Form> (336)
free base

>  <CAS> (336)
304888-67-3

>  <URL> (336)
N/A

$$$$
WAY-298516
csChFnd80/05202110422D

 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
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    3.2055    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
    2.4124    3.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0634   -1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0572   -2.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6814    3.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9876   -0.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -2.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2393   -0.4714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6703   -2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (337)
337

>  <Formula> (337)
C14H13ClN2O3

>  <MolWeight> (337)
292.71762

>  <Cat> (337)
P3302

>  <Name> (337)
WAY-298516

>  <Synonyms> (337)
N/A

>  <Target> (337)
Androgen Receptor,RAD51,GSK-3

>  <Form> (337)
free base

>  <CAS> (337)
103056-35-5

>  <URL> (337)
N/A

$$$$
WAY-298668
csChFnd80/05202110422D

 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
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   -0.5483    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7310   -0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1931   -0.0862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2517   -0.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
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 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 20 22  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C22H23N5O3

>  <MolWeight> (338)
405.44972

>  <Cat> (338)
P3303

>  <Name> (338)
WAY-298668

>  <Synonyms> (338)
N/A

>  <Target> (338)
Aurora-A,JAMM protease

>  <Form> (338)
free base

>  <CAS> (338)
371224-09-8

>  <URL> (338)
N/A

$$$$
WAY-607324
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 11  1  0  0  0  0
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 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
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 17 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C13H8N2O2S2

>  <MolWeight> (339)
288.34482

>  <Cat> (339)
P3442

>  <Name> (339)
WAY-607324

>  <Synonyms> (339)
N/A

>  <Target> (339)
Mcl-1,ASK1

>  <Form> (339)
free base

>  <CAS> (339)
1427537-92-5

>  <URL> (339)
N/A

$$$$
WAY-607500
csChFnd80/05202110422D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 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
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  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> (340)
340

>  <Formula> (340)
C19H18N2O2

>  <MolWeight> (340)
306.35842

>  <Cat> (340)
P3443

>  <Name> (340)
WAY-607500

>  <Synonyms> (340)
N/A

>  <Target> (340)
VEGFR

>  <Form> (340)
free base

>  <CAS> (340)
186610-88-8

>  <URL> (340)
N/A

$$$$
WAY-607738
csChFnd80/05202110422D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   -0.0083   -3.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
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 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
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 16  4  2  0  0  0  0
 17  6  2  0  0  0  0
 18 13  1  0  0  0  0
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 20  3  1  0  0  0  0
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 22 12  1  0  0  0  0
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 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> (341)
341

>  <Formula> (341)
C22H18N4O6

>  <MolWeight> (341)
434.40152

>  <Cat> (341)
P3444

>  <Name> (341)
WAY-607738

>  <Synonyms> (341)
N/A

>  <Target> (341)
Mcl-1,mitogen-activated protein kinase phosp

>  <Form> (341)
free base

>  <CAS> (341)
522624-94-8

>  <URL> (341)
N/A

$$$$
WAY-607777
csChFnd80/05202110422D

 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
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 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> (342)
342

>  <Formula> (342)
C16H12ClN3O2S2

>  <MolWeight> (342)
377.86838

>  <Cat> (342)
P3445

>  <Name> (342)
WAY-607777

>  <Synonyms> (342)
N/A

>  <Target> (342)
Casein kinase 1d

>  <Form> (342)
free base

>  <CAS> (342)
522626-08-0

>  <URL> (342)
N/A

$$$$
WAY-619275
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  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
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 10  5  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
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 16 13  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
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  7 11  2  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C12H11N5O

>  <MolWeight> (343)
241.24864

>  <Cat> (343)
P3457

>  <Name> (343)
WAY-619275

>  <Synonyms> (343)
N/A

>  <Target> (343)
Plk1 kinase,EphB2

>  <Form> (343)
free base

>  <CAS> (343)
73663-97-5

>  <URL> (343)
N/A

$$$$
WAY-619999
csChFnd80/05202110422D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    4.8583    0.9875    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> (344)
344

>  <Formula> (344)
C22H19Cl2N3O4

>  <MolWeight> (344)
460.30996

>  <Cat> (344)
P3458

>  <Name> (344)
WAY-619999

>  <Synonyms> (344)
N/A

>  <Target> (344)
CK2,GSK3¦Â

>  <Form> (344)
free base

>  <CAS> (344)
736932-33-5

>  <URL> (344)
N/A

$$$$
WAY-620099
csChFnd80/05202110422D

 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
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   -1.7083   -1.5167    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> (345)
345

>  <Formula> (345)
C15H12ClN3S

>  <MolWeight> (345)
301.79388

>  <Cat> (345)
P3459

>  <Name> (345)
WAY-620099

>  <Synonyms> (345)
N/A

>  <Target> (345)
tyrosine kinase,PI3K,phosphodiesterase V

>  <Form> (345)
free base

>  <CAS> (345)
128277-24-7

>  <URL> (345)
N/A

$$$$
WAY-620147
csChFnd80/05202110422D

 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
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 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> (346)
346

>  <Formula> (346)
C12H16BrN3O2

>  <MolWeight> (346)
314.17834

>  <Cat> (346)
P3460

>  <Name> (346)
WAY-620147

>  <Synonyms> (346)
N/A

>  <Target> (346)
monoamine oxidase a

>  <Form> (346)
free base

>  <CAS> (346)
515866-67-8

>  <URL> (346)
N/A

$$$$
WAY-638641
csChFnd80/05202110422D

 25 28  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  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> (347)
347

>  <Formula> (347)
C16H17N3O5S

>  <MolWeight> (347)
363.38828

>  <Cat> (347)
P3494

>  <Name> (347)
WAY-638641

>  <Synonyms> (347)
N/A

>  <Target> (347)
Aurora kinase A

>  <Form> (347)
free base

>  <CAS> (347)
796068-62-7

>  <URL> (347)
N/A

$$$$
WAY-638796
csChFnd80/05202110422D

 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
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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> (348)
348

>  <Formula> (348)
C14H10ClN3S

>  <MolWeight> (348)
287.7673

>  <Cat> (348)
P3495

>  <Name> (348)
WAY-638796

>  <Synonyms> (348)
N/A

>  <Target> (348)
tyrosine kinase

>  <Form> (348)
free base

>  <CAS> (348)
796067-64-6

>  <URL> (348)
N/A

$$$$
WAY-639405
csChFnd80/05202110422D

 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
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 17  1  0  0  0  0
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 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
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 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> (349)
349

>  <Formula> (349)
C21H18N4O2S

>  <MolWeight> (349)
390.45822

>  <Cat> (349)
P3496

>  <Name> (349)
WAY-639405

>  <Synonyms> (349)
N/A

>  <Target> (349)
tyrosine kinase,phosphodiesterase V

>  <Form> (349)
free base

>  <CAS> (349)
796052-04-5

>  <URL> (349)
N/A

$$$$
WAY-658341
csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   -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> (350)
350

>  <Formula> (350)
C18H15BrN6O2S

>  <MolWeight> (350)
459.3197

>  <Cat> (350)
P3525

>  <Name> (350)
WAY-658341

>  <Synonyms> (350)
N/A

>  <Target> (350)
Casein kinase 1d

>  <Form> (350)
free base

>  <CAS> (350)
849012-74-4

>  <URL> (350)
N/A

$$$$
WAY-658513
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.0083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    0.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7083   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9625   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3625    3.0833    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  9  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  3  1  0  0  0  0
 13  7  2  0  0  0  0
 14 21  2  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 19 10  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
  8  3  2  0  0  0  0
 14 20  1  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C16H11ClFN3OS

>  <MolWeight> (351)
347.7944432

>  <Cat> (351)
P3526

>  <Name> (351)
WAY-658513

>  <Synonyms> (351)
N/A

>  <Target> (351)
ROCK, ERK, GSK, and AGC

>  <Form> (351)
free base

>  <CAS> (351)
692870-25-0

>  <URL> (351)
N/A

$$$$
WAY-326250
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.0667   -6.4792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2875   -5.7542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.3000   -4.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8167   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1167   -7.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1167  -10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4167  -10.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  5  2  0  0  0  0
 10  3  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 18  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  1  0  0  0  0
 16 14  2  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C15H13N5OS

>  <MolWeight> (352)
311.36162

>  <Cat> (352)
P3351

>  <Name> (352)
WAY-326250

>  <Synonyms> (352)
N/A

>  <Target> (352)
shikimate kinase

>  <Form> (352)
free base

>  <CAS> (352)
869872-13-9

>  <URL> (352)
N/A

$$$$
WAY-326542
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
   11.6667   -7.8542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -10.3792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.6667   -9.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2042   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3250   -9.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2042  -12.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917   -8.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -11.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.7917  -10.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1417   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500  -12.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2917   -7.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3167   -7.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -9.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8250   -7.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12  4  2  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 15  1  1  0  0  0  0
 16  8  1  0  0  0  0
 17  5  2  0  0  0  0
 18  7  2  0  0  0  0
 19  9  1  0  0  0  0
 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
  5  2  1  0  0  0  0
 13 11  2  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C16H15NO3S

>  <MolWeight> (353)
301.3602

>  <Cat> (353)
P3352

>  <Name> (353)
WAY-326542

>  <Synonyms> (353)
N/A

>  <Target> (353)
CDK5/p25

>  <Form> (353)
free base

>  <CAS> (353)
870983-04-3

>  <URL> (353)
N/A

$$$$
WAY-326578
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.6415   -1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415   -0.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C16H16N2O3S

>  <MolWeight> (354)
316.37484

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P3353

>  <Name> (354)
WAY-326578

>  <Synonyms> (354)
N/A

>  <Target> (354)
GSK-3b

>  <Form> (354)
free base

>  <CAS> (354)
870984-34-2

>  <URL> (354)
N/A

$$$$
WAY-326890
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 13  3  1  0  0  0  0
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 15  3  2  0  0  0  0
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M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C17H17N3O3S2

>  <MolWeight> (355)
375.46518

>  <Cat> (355)
P3354

>  <Name> (355)
WAY-326890

>  <Synonyms> (355)
N/A

>  <Target> (355)
Others

>  <Form> (355)
free base

>  <CAS> (355)
685865-67-2

>  <URL> (355)
N/A

$$$$
WAY-326891
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  8  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 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
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C17H17N3O3S2

>  <MolWeight> (356)
375.46518

>  <Cat> (356)
P3355

>  <Name> (356)
WAY-326891

>  <Synonyms> (356)
N/A

>  <Target> (356)
kinase

>  <Form> (356)
free base

>  <CAS> (356)
685865-71-8

>  <URL> (356)
N/A

$$$$
WAY-326892
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  2  0  0  0  0
 11  3  1  0  0  0  0
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 13  8  1  0  0  0  0
 14  3  2  0  0  0  0
 15  3  2  0  0  0  0
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C17H17N3O3S2

>  <MolWeight> (357)
375.46518

>  <Cat> (357)
P3356

>  <Name> (357)
WAY-326892

>  <Synonyms> (357)
N/A

>  <Target> (357)
kinase

>  <Form> (357)
free base

>  <CAS> (357)
685865-72-9

>  <URL> (357)
N/A

$$$$
WAY-326893
csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C17H17N3O3S2

>  <MolWeight> (358)
375.46518

>  <Cat> (358)
P3357

>  <Name> (358)
WAY-326893

>  <Synonyms> (358)
N/A

>  <Target> (358)
Others

>  <Form> (358)
free base

>  <CAS> (358)
685865-73-0

>  <URL> (358)
N/A

$$$$
WAY-326894
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C15H12FN3O3S2

>  <MolWeight> (359)
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>  <Cat> (359)
P3358

>  <Name> (359)
WAY-326894

>  <Synonyms> (359)
N/A

>  <Target> (359)
kinase

>  <Form> (359)
free base

>  <CAS> (359)
685865-75-2

>  <URL> (359)
N/A

$$$$
WAY-327480
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C22H19N3O3S2

>  <MolWeight> (360)
437.53456

>  <Cat> (360)
P3359

>  <Name> (360)
WAY-327480

>  <Synonyms> (360)
N/A

>  <Target> (360)
ROS

>  <Form> (360)
free base

>  <CAS> (360)
687576-28-9

>  <URL> (360)
N/A

$$$$
WAY-328158
csChFnd80/05202110422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  4  1  1  0  0  0  0
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 11  8  2  0  0  0  0
 12  6  1  0  0  0  0
 13  2  1  0  0  0  0
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 21  5  1  0  0  0  0
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M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C19H16FN3O3S

>  <MolWeight> (361)
385.4120432

>  <Cat> (361)
P3360

>  <Name> (361)
WAY-328158

>  <Synonyms> (361)
N/A

>  <Target> (361)
BCR-ABL

>  <Form> (361)
free base

>  <CAS> (361)
688050-42-2

>  <URL> (361)
N/A

$$$$
WAY-621129
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C16H12O4

>  <MolWeight> (362)
268.26408

>  <Cat> (362)
P3461

>  <Name> (362)
WAY-621129

>  <Synonyms> (362)
N/A

>  <Target> (362)
SIRT6,BCRP/ABCG2,CK2,HIV-1 protease,CDK

>  <Form> (362)
free base

>  <CAS> (362)
6889-78-7

>  <URL> (362)
N/A

$$$$
WAY-621555
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C22H21N5

>  <MolWeight> (363)
355.43564

>  <Cat> (363)
P3462

>  <Name> (363)
WAY-621555

>  <Synonyms> (363)
N/A

>  <Target> (363)
Casein kinase 1¦Ä

>  <Form> (363)
free base

>  <CAS> (363)
956753-89-2

>  <URL> (363)
N/A

$$$$
WAY-621640
csChFnd80/05202110422D

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 12  2  1  0  0  0  0
 13 14  1  0  0  0  0
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 15  5  2  0  0  0  0
 16  4  2  0  0  0  0
 17  1  1  0  0  0  0
 18  5  1  0  0  0  0
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M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C17H15N3O2S

>  <MolWeight> (364)
325.3849

>  <Cat> (364)
P3463

>  <Name> (364)
WAY-621640

>  <Synonyms> (364)
N/A

>  <Target> (364)
Casein kinase 1¦Ä

>  <Form> (364)
free base

>  <CAS> (364)
742113-71-9

>  <URL> (364)
N/A

$$$$
WAY-621856
csChFnd80/05202110422D

 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
 16 10  1  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C16H9N5O3S

>  <MolWeight> (365)
351.33936

>  <Cat> (365)
P3464

>  <Name> (365)
WAY-621856

>  <Synonyms> (365)
N/A

>  <Target> (365)
FGFR

>  <Form> (365)
free base

>  <CAS> (365)
606958-57-0

>  <URL> (365)
N/A

$$$$
WAY-639932
csChFnd80/05202110422D

 23 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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  4  2  1  0  0  0  0
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  7  6  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
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 23 19  1  0  0  0  0
  7  5  1  0  0  0  0
  9 12  1  0  0  0  0
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 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C17H12N4S2

>  <MolWeight> (366)
336.43398

>  <Cat> (366)
P3497

>  <Name> (366)
WAY-639932

>  <Synonyms> (366)
N/A

>  <Target> (366)
Casein kinase 1¦Ä

>  <Form> (366)
free base

>  <CAS> (366)
851467-69-1

>  <URL> (366)
N/A

$$$$
WAY-660114
csChFnd80/05202110422D

 23 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  4  1  0  0  0  0
 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
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 17 15  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 23 20  1  0  0  0  0
  7  9  2  0  0  0  0
 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> (367)
367

>  <Formula> (367)
C14H9FN6S2

>  <MolWeight> (367)
344.3898632

>  <Cat> (367)
P3527

>  <Name> (367)
WAY-660114

>  <Synonyms> (367)
N/A

>  <Target> (367)
kinase

>  <Form> (367)
free base

>  <CAS> (367)
871317-00-9

>  <URL> (367)
N/A

$$$$
WAY-660222
csChFnd80/05202110422D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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 15  6  1  0  0  0  0
 16  5  1  0  0  0  0
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 10  6  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C19H13FO

>  <MolWeight> (368)
276.3043232

>  <Cat> (368)
P3528

>  <Name> (368)
WAY-660222

>  <Synonyms> (368)
N/A

>  <Target> (368)
EGFR

>  <Form> (368)
free base

>  <CAS> (368)
867294-23-3

>  <URL> (368)
N/A

$$$$
WAY-660667
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 12  4  1  0  0  0  0
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 14  9  2  0  0  0  0
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 16  6  1  0  0  0  0
 17  7  1  0  0  0  0
 18 10  1  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> (369)
369

>  <Formula> (369)
C17H17N5O3

>  <MolWeight> (369)
339.34858

>  <Cat> (369)
P3529

>  <Name> (369)
WAY-660667

>  <Synonyms> (369)
N/A

>  <Target> (369)
ROS

>  <Form> (369)
free base

>  <CAS> (369)
871218-26-7

>  <URL> (369)
N/A

$$$$
WAY-661516
csChFnd80/05202110422D

 25 26  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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 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
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 17  2  0  0  0  0
 23 19  1  0  0  0  0
 24  5  1  0  0  0  0
 25  5  1  0  0  0  0
  4  5  1  0  0  0  0
 19 12  2  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C15H15ClFN3O5

>  <MolWeight> (370)
371.7481032

>  <Cat> (370)
P3530

>  <Name> (370)
WAY-661516

>  <Synonyms> (370)
N/A

>  <Target> (370)
Aurora kinase A

>  <Form> (370)
free base

>  <CAS> (370)
875163-98-7

>  <URL> (370)
N/A

$$$$
CL-230482
csChFnd80/05202110422D

 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
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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> (371)
371

>  <Formula> (371)
C15H12N2O

>  <MolWeight> (371)
236.26858

>  <Cat> (371)
P3255

>  <Name> (371)
CL-230482

>  <Synonyms> (371)
N/A

>  <Target> (371)
PDGFR

>  <Form> (371)
free base

>  <CAS> (371)
909859-35-4

>  <URL> (371)
N/A

$$$$
WYE-163716-A
csChFnd80/05202110422D

 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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  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
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 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> (372)
372

>  <Formula> (372)
C15H14N4O2S2

>  <MolWeight> (372)
346.42726

>  <Cat> (372)
P3533

>  <Name> (372)
WYE-163716-A

>  <Synonyms> (372)
N/A

>  <Target> (372)
rRNA ErmC' methyltransferase,F508del-CFTR,PI

>  <Form> (372)
free base

>  <CAS> (372)
92902-64-2

>  <URL> (372)
N/A

$$$$
WYE-175765
csChFnd80/05202110422D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
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  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> (373)
373

>  <Formula> (373)
C14H13NO6S

>  <MolWeight> (373)
323.32112

>  <Cat> (373)
P3534

>  <Name> (373)
WYE-175765

>  <Synonyms> (373)
N/A

>  <Target> (373)
JAK3,YopH,antibacterial

>  <Form> (373)
free base

>  <CAS> (373)
956236-35-4

>  <URL> (373)
N/A

$$$$
WYE-175829
csChFnd80/05202110422D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   -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> (374)
374

>  <Formula> (374)
C13H14N2O3S

>  <MolWeight> (374)
278.32686

>  <Cat> (374)
P3535

>  <Name> (374)
WYE-175829

>  <Synonyms> (374)
N/A

>  <Target> (374)
tyrosine kinase,gonadotropin-releasing hormo

>  <Form> (374)
free base

>  <CAS> (374)
327093-01-6

>  <URL> (374)
N/A

$$$$
WYE-175837
csChFnd80/05202110422D

 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
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   -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
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    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> (375)
375

>  <Formula> (375)
C14H14N2O2

>  <MolWeight> (375)
242.27316

>  <Cat> (375)
P3536

>  <Name> (375)
WYE-175837

>  <Synonyms> (375)
N/A

>  <Target> (375)
BTK,VEGFR-2,Protein Arginine Deiminase

>  <Form> (375)
free base

>  <CAS> (375)
891-35-0

>  <URL> (375)
N/A

$$$$
WYE-175840
csChFnd80/05202110422D

 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
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   -0.5458    1.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5458    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   -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
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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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   -1.8625    3.2833    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
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 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
 18  3  1  0  0  0  0
 19  6  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 14  1  0  0  0  0
 23 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  1  0  0  0  0
 15 17  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C17H19N5O3S

>  <MolWeight> (376)
373.42946

>  <Cat> (376)
P3537

>  <Name> (376)
WYE-175840

>  <Synonyms> (376)
N/A

>  <Target> (376)
Glutamate Racemase,protein kinase-activated 

>  <Form> (376)
free base

>  <CAS> (376)
380432-29-1

>  <URL> (376)
N/A

$$$$
WYE-176092
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5910    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1331    0.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9807   -0.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -0.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4435   -0.5960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1952    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2228   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9435    0.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  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
 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> (377)
377

>  <Formula> (377)
C12H14N2O2S2

>  <MolWeight> (377)
282.38176

>  <Cat> (377)
P3538

>  <Name> (377)
WYE-176092

>  <Synonyms> (377)
N/A

>  <Target> (377)
Anti-infection

>  <Form> (377)
free base

>  <CAS> (377)
121746-06-3

>  <URL> (377)
N/A

$$$$
WAY-333491
csChFnd80/05202110422D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -6.7667    5.3375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4083    6.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1375    8.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3625    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9417    3.4833    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  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  5  2  0  0  0  0
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 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
 14 13  1  0  0  0  0
 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
 19 16  1  0  0  0  0
 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
  6  3  1  0  0  0  0
 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> (378)
378

>  <Formula> (378)
C18H19N5OS

>  <MolWeight> (378)
353.44136

>  <Cat> (378)
P3379

>  <Name> (378)
WAY-333491

>  <Synonyms> (378)
N/A

>  <Target> (378)
LRRK2

>  <Form> (378)
free base

>  <CAS> (378)
852375-30-5

>  <URL> (378)
N/A

$$$$
WAY-333434
csChFnd80/05202110422D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -6.0667    4.7792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8500    5.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.7500   -0.1792    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
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M  END
>  <Mol_ID> (379)
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>  <Name> (379)
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>  <Synonyms> (379)
N/A

>  <Target> (379)
Others

>  <Form> (379)
free base

>  <CAS> (379)
721964-45-0

>  <URL> (379)
N/A

$$$$
WAY-662864
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C15H22N4O5S

>  <MolWeight> (380)
370.42398

>  <Cat> (380)
P3531

>  <Name> (380)
WAY-662864

>  <Synonyms> (380)
N/A

>  <Target> (380)
UMPK

>  <Form> (380)
free base

>  <CAS> (380)
1621866-83-8

>  <URL> (380)
N/A

$$$$
WAY-278752
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C14H7Cl2NO3S

>  <MolWeight> (381)
340.18128

>  <Cat> (381)
P3295

>  <Name> (381)
WAY-278752

>  <Synonyms> (381)
N/A

>  <Target> (381)
IGF1R

>  <Form> (381)
free base

>  <CAS> (381)
331652-38-1

>  <URL> (381)
N/A

$$$$
WAY-329594
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C14H10BrN3O3S2

>  <MolWeight> (382)
412.2815

>  <Cat> (382)
P3369

>  <Name> (382)
WAY-329594

>  <Synonyms> (382)
N/A

>  <Target> (382)
others

>  <Form> (382)
free base

>  <CAS> (382)
956910-37-5

>  <URL> (382)
N/A

$$$$
WAY-329599
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C14H10FN3O3S2

>  <MolWeight> (383)
351.3759032

>  <Cat> (383)
P3371

>  <Name> (383)
WAY-329599

>  <Synonyms> (383)
N/A

>  <Target> (383)
others

>  <Form> (383)
free base

>  <CAS> (383)
956910-38-6

>  <URL> (383)
N/A

$$$$
WAY-329603
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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956910-39-7

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N/A

$$$$
WAY-329598
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others

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free base

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956910-48-8

>  <URL> (385)
N/A

$$$$
WAY-329607
csChFnd80/05202110422D

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386

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>  <Target> (386)
others

>  <Form> (386)
free base

>  <CAS> (386)
956920-91-5

>  <URL> (386)
N/A

$$$$
WAY-278535
csChFnd80/05202110422D

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>  <Target> (387)
Pim-1,Pim-2,PPAR

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free base

>  <CAS> (387)
24138-83-8

>  <URL> (387)
N/A

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untitled.cdx
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388

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>  <Cat> (388)
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>  <Name> (388)
Linifanib (A

>  <Synonyms> (388)
AL-

>  <Target> (388)
PDGFR, VEGFR

>  <Form> (388)
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>  <CAS> (388)
796967-16-3

>  <URL> (388)
htt

$$$$
untitled.cdx
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389

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C22H18N4OS

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>  <Cat> (389)
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>  <Name> (389)
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>  <Synonyms> (389)
AG 

>  <Target> (389)
VEGFR, PDGFR, c-Kit

>  <Form> (389)
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htt

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Saracatinib 

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htt

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azd6244.cdx
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AZD6244 (Sel

>  <Synonyms> (391)
ARR

>  <Target> (391)
MEK

>  <Form> (391)
Free Base

>  <CAS> (391)
606143-52-6

>  <URL> (391)
htt

$$$$
untitled.cdx
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Nintedanib (

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VEGFR, PDGFR, FGFR

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Free Base

>  <CAS> (392)
656247-17-5

>  <URL> (392)
htt

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C19H25BN4O4

>  <MolWeight> (393)
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>  <Name> (393)
Bortezomib (

>  <Synonyms> (393)
MG-

>  <Target> (393)
Proteasome

>  <Form> (393)
Free Base

>  <CAS> (393)
179324-69-7

>  <URL> (393)
htt

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/05202110422D

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>  <Mol_ID> (394)
394

>  <Formula> (394)
C26H29Cl2N5O3

>  <MolWeight> (394)
530.44616

>  <Cat> (394)
S1014

>  <Name> (394)
Bosutinib (S

>  <Synonyms> (394)
N/A

>  <Target> (394)
Src

>  <Form> (394)
Free Base

>  <CAS> (394)
380843-75-4

>  <URL> (394)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (395)
395

>  <Formula> (395)
C25H27FN4O3

>  <MolWeight> (395)
450.5052832

>  <Cat> (395)
S1017

>  <Name> (395)
Cediranib (A

>  <Synonyms> (395)
Rec

>  <Target> (395)
VEGFR, Flt

>  <Form> (395)
Free Base

>  <CAS> (395)
288383-20-0

>  <URL> (395)
htt

$$$$
CI1040.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (396)
396

>  <Formula> (396)
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>  <Cat> (396)
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>  <Name> (396)
CI-1040 (PD1

>  <Synonyms> (396)
N/A

>  <Target> (396)
MEK 

>  <Form> (396)
Free Base

>  <CAS> (396)
212631-79-3

>  <URL> (396)
htt

$$$$
Dasatinib.cdx
csChFnd80/05202110422D

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397

>  <Formula> (397)
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>  <Name> (397)
Dasatinib

>  <Synonyms> (397)
BMS

>  <Target> (397)
Src, Bcr-Abl, c-Kit

>  <Form> (397)
Free Base

>  <CAS> (397)
302962-49-8

>  <URL> (397)
htt

$$$$
untitled.cdx
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398

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C53H84NO14P

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990.206121

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S1022

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Deforolimus 

>  <Synonyms> (398)
AP2

>  <Target> (398)
mTOR

>  <Form> (398)
Free Base

>  <CAS> (398)
572924-54-0

>  <URL> (398)
htt

$$$$

csChFnd80/05202110422D

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399

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Dovitinib (T

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N/A

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c-Kit, FGFR, Flt, VEGFR, PDGFR 

>  <Form> (399)
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>  <CAS> (399)
405169-16-6

>  <URL> (399)
htt

$$$$
untitled.cdx
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Gefitinib (Z

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N/A

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EGFR

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Free Base

>  <CAS> (400)
184475-35-2

>  <URL> (400)
htt

$$$$
Imatinib Mesylate.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (401)
401

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C30H35N7O4S

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S1026

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Imatinib Mes

>  <Synonyms> (401)
CGP

>  <Target> (401)
PDGFR, c-Kit, Bcr-Abl

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Mesylate

>  <CAS> (401)
220127-57-1

>  <URL> (401)
htt

$$$$
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csChFnd80/05202110422D

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>  <Mol_ID> (402)
402

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Lapatinib (G

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GW-

>  <Target> (402)
EGFR, HER2

>  <Form> (402)
Ditosylat

>  <CAS> (402)
388082-77-7

>  <URL> (402)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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403

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CC-

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TNF-alpha

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Free Base

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191732-72-6

>  <URL> (403)
htt

$$$$
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csChFnd80/05202110422D

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Diphospha

>  <CAS> (404)
857876-30-3

>  <URL> (404)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (405)
405

>  <Formula> (405)
C28H22F3N7O

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529.5157896

>  <Cat> (405)
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Nilotinib (A

>  <Synonyms> (405)
Tas

>  <Target> (405)
Bcr-Abl

>  <Form> (405)
Free Base

>  <CAS> (405)
641571-10-0

>  <URL> (405)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (406)
406

>  <Formula> (406)
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>  <Target> (406)
VEGFR, PDGFR, c-Kit

>  <Form> (406)
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>  <CAS> (406)
635702-64-6

>  <URL> (406)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (407)
407

>  <Formula> (407)
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>  <Cat> (407)
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>  <Name> (407)
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>  <Synonyms> (407)
N/A

>  <Target> (407)
MEK 

>  <Form> (407)
Free Base

>  <CAS> (407)
391210-10-9

>  <URL> (407)
htt

$$$$
1.cdx
csChFnd80/05202110422D

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408

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N/A

>  <Target> (408)
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>  <Form> (408)
Free Base

>  <CAS> (408)
371935-74-9

>  <URL> (408)
htt

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409

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Rapamycin (S

>  <Synonyms> (409)
N/A

>  <Target> (409)
mTOR 

>  <Form> (409)
Free Base

>  <CAS> (409)
53123-88-9

>  <URL> (409)
htt

$$$$

csChFnd80/05202110422D

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410

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VEGFR, PDGFR, Raf

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Tosylate

>  <CAS> (410)
475207-59-1

>  <URL> (410)
htt

$$$$

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411

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N/A

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VEGFR, PDGFR, c-Kit, Flt

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Malate

>  <CAS> (411)
341031-54-7

>  <URL> (411)
htt

$$$$
untitled.cdx
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Aurora Kinase

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639089-54-6

>  <URL> (412)
htt

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413

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ROCK

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>  <CAS> (413)
129830-38-2

>  <URL> (413)
htt

$$$$
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HSP

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747412-49-3

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htt

$$$$
1.cdx
csChFnd80/05202110422D

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PI3K 

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475110-96-4

>  <URL> (419)
htt

$$$$
1.cdx
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GSK-3 

>  <Form> (420)
Free Base

>  <CAS> (420)
280744-09-4

>  <URL> (420)
htt

$$$$
SB203580.cdx
csChFnd80/05202110422D

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p38 MAPK 

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>  <CAS> (421)
152121-47-6

>  <URL> (421)
htt

$$$$
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>  <Target> (422)
p38 MAPK 

>  <Form> (422)
Free Base

>  <CAS> (422)
152121-30-7

>  <URL> (422)
htt

$$$$

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1032350-13-2

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htt

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untitled.cdx
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424

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S1080

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SU11274

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PKI

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c-Met 

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Free Base

>  <CAS> (424)
658084-23-2

>  <URL> (424)
htt

$$$$
Brivanib.cdx
csChFnd80/05202110422D

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425

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Free Base

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649735-46-6

>  <URL> (425)
htt

$$$$
NVP-ADW742.cdx
csChFnd80/05202110422D

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426

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C28H31N5O

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453.57864

>  <Cat> (426)
S1088

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NVP-ADW742

>  <Synonyms> (426)
ADW

>  <Target> (426)
IGF-1R

>  <Form> (426)
Free Base

>  <CAS> (426)
475488-23-4

>  <URL> (426)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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htt

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htt

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869363-13-3

>  <URL> (430)
htt

$$$$
untitled.cdx
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ZK 

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VEGFR, c-Kit, Flt

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Dihydroch

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212141-51-0

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htt

$$$$
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>  <Target> (432)
Aurora Kinase

>  <Form> (432)
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>  <CAS> (432)
331771-20-1

>  <URL> (432)
htt

$$$$
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>  <CAS> (433)
905281-76-7

>  <URL> (433)
htt

$$$$
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htt

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AR-

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PDK-1

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htt

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1173097-76-1

>  <URL> (436)
htt

$$$$
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C26H30N6O3

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N/A

>  <Target> (437)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (437)
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>  <CAS> (437)
827318-97-8

>  <URL> (437)
htt

$$$$
untitled.cdx
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htt

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Aurora Kinase

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1028486-01-2

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htt

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849217-68-1

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htt

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Bcr-Abl, JAK, Aurora Kinase

>  <Form> (444)
Free Base

>  <CAS> (444)
896466-04-9

>  <URL> (444)
htt

$$$$
untitled.cdx
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445

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C31H43N3O8

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17-AAG (Tane

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N/A

>  <Target> (445)
HSP

>  <Form> (445)
Free Base

>  <CAS> (445)
75747-14-7

>  <URL> (445)
htt

$$$$

csChFnd80/05202110422D

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446

>  <Formula> (446)
C22H24FN5O4

>  <MolWeight> (446)
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S1138

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>  <Synonyms> (446)
N/A

>  <Target> (446)
VEGFR, FGFR

>  <Form> (446)
Alaninate

>  <CAS> (446)
649735-63-7

>  <URL> (446)
htt

$$$$
AG-490.cdx
csChFnd80/05202110422D

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447

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C17H14N2O3

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S1143

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AG-490 (Tyrp

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N/A

>  <Target> (447)
JAK, EGFR

>  <Form> (447)
Free Base

>  <CAS> (447)
133550-30-8 

>  <URL> (447)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (448)
448

>  <Formula> (448)
C17H24N4O2S2

>  <MolWeight> (448)
380.52806

>  <Cat> (448)
S1145

>  <Name> (448)
SNS-032 (BMS

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BMS

>  <Target> (448)
CDK 

>  <Form> (448)
Free Base

>  <CAS> (448)
345627-80-7

>  <URL> (448)
htt

$$$$
untitled.cdx
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htt

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918505-84-7

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htt

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htt

$$$$
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>  <URL> (452)
htt

$$$$
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htt

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C23H21F7N4O3

>  <MolWeight> (461)
534.4266624

>  <Cat> (461)
S1189

>  <Name> (461)
Aprepitant (

>  <Synonyms> (461)
MK-

>  <Target> (461)
Substance P

>  <Form> (461)
Free Base

>  <CAS> (461)
170729-80-3

>  <URL> (461)
htt

$$$$
S119401 CUDC-101.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C24H26N4O4

>  <MolWeight> (462)
434.48764

>  <Cat> (462)
S1194

>  <Name> (462)
CUDC-101

>  <Synonyms> (462)
N/A

>  <Target> (462)
HDAC, EGFR, HER2

>  <Form> (462)
Free Base

>  <CAS> (462)
1012054-59-9

>  <URL> (462)
htt

$$$$
AV-951.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (463)
463

>  <Formula> (463)
C22H19ClN4O5

>  <MolWeight> (463)
454.86306

>  <Cat> (463)
S1207

>  <Name> (463)
Tivozanib (A

>  <Synonyms> (463)
N/A

>  <Target> (463)
VEGFR, c-Kit, PDGFR

>  <Form> (463)
Free Base

>  <CAS> (463)
475108-18-0

>  <URL> (463)
htt

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C27H30ClNO11

>  <MolWeight> (464)
579.9802

>  <Cat> (464)
S1208

>  <Name> (464)
Doxorubicin 

>  <Synonyms> (464)
N/A

>  <Target> (464)
Topoisomerase

>  <Form> (464)
Hydrochlo

>  <CAS> (464)
25316-40-9

>  <URL> (464)
htt

$$$$
OSI-930.cdx
csChFnd80/05202110422D

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c-Kit, VEGFR

>  <Form> (465)
Free Base

>  <CAS> (465)
728033-96-3

>  <URL> (465)
htt

$$$$
KU-0063794.cdx
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466

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N/A

>  <Target> (466)
mTOR 

>  <Form> (466)
Free Base

>  <CAS> (466)
938440-64-3

>  <URL> (466)
htt

$$$$
MP-470.cdx
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467

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N/A

>  <Target> (467)
c-Met, c-Kit, PDGFR, Flt, c-RET

>  <Form> (467)
Free Base

>  <CAS> (467)
850879-09-3

>  <URL> (467)
htt

$$$$
leflunomide.cdx
csChFnd80/05202110422D

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468

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Leflunomide

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Ara

>  <Target> (468)
Dehydrogenase

>  <Form> (468)
Free Base

>  <CAS> (468)
75706-12-6

>  <URL> (468)
htt

$$$$
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htt

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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N/A

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VEGFR, c-Kit, PDGFR

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Free Base

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228559-41-9

>  <URL> (477)
htt

$$$$
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csChFnd80/05202110422D

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CHIR-99021 (

>  <Synonyms> (478)
N/A

>  <Target> (478)
PI3K/Akt/mTOR

>  <Form> (478)
Hydrochlo

>  <CAS> (478)
252917-06-9 

>  <URL> (478)
htt

$$$$
Pelitinib.cdx
csChFnd80/05202110422D

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479

>  <Formula> (479)
C24H23ClFN5O2

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S1392

>  <Name> (479)
Pelitinib (E

>  <Synonyms> (479)
WAY

>  <Target> (479)
EGFR

>  <Form> (479)
Free Base

>  <CAS> (479)
257933-82-7

>  <URL> (479)
htt

$$$$
resveratrol.cdx
csChFnd80/05202110422D

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480

>  <Formula> (480)
C14H12O3

>  <MolWeight> (480)
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>  <Cat> (480)
S1396

>  <Name> (480)
Resveratrol

>  <Synonyms> (480)
N/A

>  <Target> (480)
Sirtuin

>  <Form> (480)
Free Base

>  <CAS> (480)
501-36-0

>  <URL> (480)
htt

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/05202110422D

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481

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>  <Name> (481)
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>  <Synonyms> (481)
N/A

>  <Target> (481)
Aurora Kinase

>  <Form> (481)
Free Base

>  <CAS> (481)
1158838-45-9

>  <URL> (481)
htt

$$$$
PHA-6806320.cdx
csChFnd80/05202110422D

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htt

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Thiazovivin.cdx
csChFnd80/05202110422D

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ROCK

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1226056-71-8

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htt

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sp600125.cdx
csChFnd80/05202110422D

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JNK

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htt

$$$$
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csChFnd80/05202110422D

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252916-29-3

>  <URL> (485)
htt

$$$$
GSK429286A.cdx
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htt

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htt

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>  <URL> (492)
htt

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htt

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P52

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mTOR

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914913-88-5

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htt

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htt

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CDK 

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844442-38-2

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htt

$$$$
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955365-80-7

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htt

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htt

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csChFnd80/05202110422D

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htt

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htt

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htt

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Akt, S6 kinase

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Free Base

>  <CAS> (507)
857531-00-1

>  <URL> (507)
htt

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BMS 777607

>  <Synonyms> (508)
N/A

>  <Target> (508)
c-Met

>  <Form> (508)
Free Base

>  <CAS> (508)
1025720-94-8

>  <URL> (508)
htt

$$$$
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N/A

>  <Target> (509)
MEK 

>  <Form> (509)
Free Base

>  <CAS> (509)
391210-00-7 

>  <URL> (509)
htt

$$$$
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>  <Target> (510)
ATM 

>  <Form> (510)
Free Base

>  <CAS> (510)
925701-49-1

>  <URL> (510)
htt

$$$$
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M  END
>  <Mol_ID> (511)
511

>  <Formula> (511)
C22H33ClN6

>  <MolWeight> (511)
416.99062

>  <Cat> (511)
S1572

>  <Name> (511)
BS-181 HCl

>  <Synonyms> (511)
N/A

>  <Target> (511)
CDK 

>  <Form> (511)
Hydrochlo

>  <CAS> (511)
1397219-81-6

>  <URL> (511)
htt

$$$$
Fasudil HCl.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C14H18ClN3O2S

>  <MolWeight> (512)
327.82962

>  <Cat> (512)
S1573

>  <Name> (512)
Fasudil HCl 

>  <Synonyms> (512)
AT-

>  <Target> (512)
ROCK

>  <Form> (512)
Hydrochlo

>  <CAS> (512)
105628-07-7

>  <URL> (512)
htt

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C31H37N5O3

>  <MolWeight> (513)
527.65718

>  <Cat> (513)
S1574

>  <Name> (513)
BIRB 796 (Do

>  <Synonyms> (513)
N/A

>  <Target> (513)
p38 MAPK

>  <Form> (513)
Free Base

>  <CAS> (513)
285983-48-4

>  <URL> (513)
htt

$$$$
Tie 2k inase inhibitor.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C26H21N3O2S

>  <MolWeight> (514)
439.52884

>  <Cat> (514)
S1577

>  <Name> (514)
Tie2 kinase 

>  <Synonyms> (514)
N/A

>  <Target> (514)
Tie-2

>  <Form> (514)
Free Base

>  <CAS> (514)
948557-43-5

>  <URL> (514)
htt

$$$$

csChFnd80/05202110422D

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csChFnd80/05202110422D

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M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C30H28FN7O3

>  <MolWeight> (520)
553.5868232

>  <Cat> (520)
S2634

>  <Name> (520)
DCC-2036 (Re

>  <Synonyms> (520)
N/A

>  <Target> (520)
Bcr-Abl

>  <Form> (520)
Free Base

>  <CAS> (520)
1020172-07-9

>  <URL> (520)
htt

$$$$
Pitavastatin calcium.cdx
csChFnd80/05202110422D

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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C50H46CaF2N2O8

>  <MolWeight> (521)
880.9836464

>  <Cat> (521)
S1759

>  <Name> (521)
Pitavastatin

>  <Synonyms> (521)
Liv

>  <Target> (521)
HMG-CoA Reductase

>  <Form> (521)
Calcium s

>  <CAS> (521)
147526-32-7

>  <URL> (521)
htt

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/05202110422D

 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
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M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C10H13N5O4

>  <MolWeight> (522)
267.24132

>  <Cat> (522)
S1784

>  <Name> (522)
Vidarabine (

>  <Synonyms> (522)
Vir

>  <Target> (522)
5-alpha Reductase 

>  <Form> (522)
Free Base

>  <CAS> (522)
5536-17-4

>  <URL> (522)
htt

$$$$
Acyclovir.cdx
csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C8H11N5O3

>  <MolWeight> (523)
225.20464

>  <Cat> (523)
S1807

>  <Name> (523)
Acyclovir (A

>  <Synonyms> (523)
Aci

>  <Target> (523)
Antifection

>  <Form> (523)
Free Base

>  <CAS> (523)
59277-89-3 

>  <URL> (523)
htt

$$$$
ADALAT (nifedipine).cdx
csChFnd80/05202110422D

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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
  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> (524)
524

>  <Formula> (524)
C17H18N2O6

>  <MolWeight> (524)
346.33462

>  <Cat> (524)
S1808

>  <Name> (524)
Nifedipine (

>  <Synonyms> (524)
Ani

>  <Target> (524)
Calcium Channel

>  <Form> (524)
Free Base

>  <CAS> (524)
21829-25-4

>  <URL> (524)
htt

$$$$
Amiloride hydrochloride.cdx
csChFnd80/05202110422D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1376    5.3651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 11 14  2  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C6H9Cl2N7O

>  <MolWeight> (525)
266.08796

>  <Cat> (525)
S1811

>  <Name> (525)
Amiloride HC

>  <Synonyms> (525)
N/A

>  <Target> (525)
Sodium Channel,Calcium Channel

>  <Form> (525)
Hydrochlo

>  <CAS> (525)
2016-88-8

>  <URL> (525)
htt

$$$$
Baricitinib.cdx
csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C16H17N7O2S

>  <MolWeight> (526)
371.41688

>  <Cat> (526)
S2851

>  <Name> (526)
Baricitinib 

>  <Synonyms> (526)
INC

>  <Target> (526)
JAK

>  <Form> (526)
Free Base

>  <CAS> (526)
1187594-09-7

>  <URL> (526)
htt

$$$$
clemastine fumarate.cdx
csChFnd80/05202110422D

 32 33  0  0  0  0  0  0  0  0999 V2000
    8.2569    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    5.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    6.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    6.4325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8404    4.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9368    4.2067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0386    2.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    5.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547    6.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7754    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9836    7.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    7.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672    8.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1918    5.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  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 12  1  0  0  0  0
  8 17  1  1  0  0  0
  8 18  1  6  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 13 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  2  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C25H30ClNO5

>  <MolWeight> (527)
459.9624

>  <Cat> (527)
S1847

>  <Name> (527)
Clemastine F

>  <Synonyms> (527)
Tav

>  <Target> (527)
Histamine Receptor

>  <Form> (527)
Fumarate

>  <CAS> (527)
14976-57-9

>  <URL> (527)
htt

$$$$
Methylthiouracil.cdx
csChFnd80/05202110422D

  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> (528)
528

>  <Formula> (528)
C5H6N2OS

>  <MolWeight> (528)
142.17894

>  <Cat> (528)
S3138

>  <Name> (528)
Methylthiour

>  <Synonyms> (528)
N/A

>  <Target> (528)
Others

>  <Form> (528)
Free Base

>  <CAS> (528)
20547

>  <URL> (528)
htt

$$$$
MENADIONE (menadione).cdx
csChFnd80/05202110422D

 13 14  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
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C11H8O2

>  <MolWeight> (529)
172.18002

>  <Cat> (529)
S1949

>  <Name> (529)
Menadione

>  <Synonyms> (529)
Vit

>  <Target> (529)
DNA/RNA Synthesis,phosphatase

>  <Form> (529)
Free Base

>  <CAS> (529)
58-27-5

>  <URL> (529)
htt

$$$$
Metformin hydrochloride.cdx
csChFnd80/05202110422D

 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> (530)
530

>  <Formula> (530)
C4H12ClN5

>  <MolWeight> (530)
165.62458

>  <Cat> (530)
S1950

>  <Name> (530)
Metformin hy

>  <Synonyms> (530)
Glu

>  <Target> (530)
Others

>  <Form> (530)
Hydrochlo

>  <CAS> (530)
1115-70-4

>  <URL> (530)
htt

$$$$
Tanshinone IIA.cdx
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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531

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Lipase

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Free Base

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568-72-9

>  <URL> (531)
htt

$$$$
Biochanin A.cdx
csChFnd80/05202110422D

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532

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C16H12O5

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284.26348

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S2377

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Biochanin A 

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4-M

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FAAH

>  <Form> (532)
Free Base

>  <CAS> (532)
491-80-5

>  <URL> (532)
htt

$$$$
Diosmetin.cdx
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (533)
533

>  <Formula> (533)
C16H12O6

>  <MolWeight> (533)
300.26288

>  <Cat> (533)
S2380

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Diosmetin (L

>  <Synonyms> (533)
Lut

>  <Target> (533)
P450 (e.g. CYP17)

>  <Form> (533)
Free Base

>  <CAS> (533)
520-34-3

>  <URL> (533)
htt

$$$$
Indirubin.cdx
csChFnd80/05202110422D

 20 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (534)
534

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C16H10N2O2

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262.2628

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S2386

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Indirubin

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N/A

>  <Target> (534)
GSK-3

>  <Form> (534)
Free Base

>  <CAS> (534)
479-41-4 

>  <URL> (534)
htt

$$$$
AMG 458.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (535)
535

>  <Formula> (535)
C30H29N5O5

>  <MolWeight> (535)
539.58176

>  <Cat> (535)
S2747

>  <Name> (535)
AMG458

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>  <Target> (535)
c-Met

>  <Form> (535)
Free Base

>  <CAS> (535)
913376-83-7 

>  <URL> (535)
htt

$$$$
Arry-380.cdx
csChFnd80/05202110422D

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htt

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htt

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htt

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GSK-3

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252935-94-7

>  <URL> (539)
htt

$$$$
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TGF-beta/Smad

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Free Base

>  <CAS> (540)
452342-67-5

>  <URL> (540)
htt

$$$$
Lapatinib freebase.cdx
csChFnd80/05202110422D

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541

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EGFR, HER2

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231277-92-2

>  <URL> (541)
htt

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csChFnd80/05202110422D

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542

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>  <Target> (542)
PI3K, mTOR

>  <Form> (542)
Maleate

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1245537-68-1

>  <URL> (542)
htt

$$$$
YM201636.cdx
csChFnd80/05202110422D

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702675-74-9

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htt

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BX-912.cdx
csChFnd80/05202110422D

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PDK-1 

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702674-56-4

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htt

$$$$
NVP-BVU972.cdx
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c-Met

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Free Base

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1185763-69-2

>  <URL> (549)
htt

$$$$
CUDC-907.cdx
csChFnd80/05202110422D

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550

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1339928-25-4

>  <URL> (550)
htt

$$$$

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Dovitinib Di

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CHI

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Flt, FGFR, PDGFR, VEGFR, c-Kit

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Dilactic 

>  <CAS> (551)
852433-84-2

>  <URL> (551)
htt

$$$$
AST-1306.cdx
csChFnd80/05202110422D

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AST-1306

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N/A

>  <Target> (552)
EGFR

>  <Form> (552)
Mesylate

>  <CAS> (552)
1050500-29-2

>  <URL> (552)
htt

$$$$
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csChFnd80/05202110422D

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553

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>  <Cat> (553)
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BMS-265246

>  <Synonyms> (553)
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>  <Target> (553)
CDK

>  <Form> (553)
Free Base

>  <CAS> (553)
582315-72-8

>  <URL> (553)
htt

$$$$
SB505124.cdx
csChFnd80/05202110422D

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N/A

>  <Target> (554)
TGF-beta/Smad 

>  <Form> (554)
Free Base

>  <CAS> (554)
694433-59-5

>  <URL> (554)
htt

$$$$
MK-2461.cdx
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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C24H25N5O5S

>  <MolWeight> (555)
495.5508

>  <Cat> (555)
S2774

>  <Name> (555)
MK-2461

>  <Synonyms> (555)
N/A

>  <Target> (555)
c-Met, FGFR, PDGFR

>  <Form> (555)
Free Base

>  <CAS> (555)
917879-39-1

>  <URL> (555)
htt

$$$$
Nocodazole.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C14H11N3O3S

>  <MolWeight> (556)
301.32044

>  <Cat> (556)
S2775

>  <Name> (556)
Nocodazole

>  <Synonyms> (556)
N/A

>  <Target> (556)
Microtubule Associated

>  <Form> (556)
Free Base

>  <CAS> (556)
31430-18-9

>  <URL> (556)
htt

$$$$
AZD2014.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (557)
557

>  <Formula> (557)
C25H30N6O3

>  <MolWeight> (557)
462.5441

>  <Cat> (557)
S2783

>  <Name> (557)
Vistusertib 

>  <Synonyms> (557)
N/A

>  <Target> (557)
mTOR

>  <Form> (557)
Free Base

>  <CAS> (557)
1009298-59-2

>  <URL> (557)
htt

$$$$
TAK-285.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (558)
558

>  <Formula> (558)
C26H25ClF3N5O3

>  <MolWeight> (558)
547.9566096

>  <Cat> (558)
S2784

>  <Name> (558)
TAK-285

>  <Synonyms> (558)
N/A

>  <Target> (558)
EGFR, HER2

>  <Form> (558)
Free Base

>  <CAS> (558)
871026-44-7

>  <URL> (558)
htt

$$$$
CP-690550.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (559)
559

>  <Formula> (559)
C16H20N6O

>  <MolWeight> (559)
312.3696

>  <Cat> (559)
S2789

>  <Name> (559)
Tofacitinib 

>  <Synonyms> (559)
Tas

>  <Target> (559)
JAK

>  <Form> (559)
Free Base

>  <CAS> (559)
477600-75-2

>  <URL> (559)
htt

$$$$
WP1066.cdx
csChFnd80/05202110422D

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htt

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1257704-57-6

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htt

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csChFnd80/05202110422D

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htt

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htt

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csChFnd80/05202110422D

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>  <Target> (577)
Raf, VEGFR

>  <Form> (577)
Free Base

>  <CAS> (577)
927880-90-8

>  <URL> (577)
htt

$$$$
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Daphnetin

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N/A

>  <Target> (578)
DNA/RNA Synthesis

>  <Form> (578)
Free Base

>  <CAS> (578)
486-35-1

>  <URL> (578)
htt

$$$$
LY2784544.cdx
csChFnd80/05202110422D

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579

>  <Formula> (579)
C23H25ClFN7O

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>  <Name> (579)
Gandotinib (

>  <Synonyms> (579)
N/A

>  <Target> (579)
JAK 

>  <Form> (579)
Free Base

>  <CAS> (579)
1229236-86-5

>  <URL> (579)
htt

$$$$
AZD8931.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (580)
580

>  <Formula> (580)
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>  <Cat> (580)
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>  <Name> (580)
AZD8931

>  <Synonyms> (580)
N/A

>  <Target> (580)
EGFR, HER2

>  <Form> (580)
Free Base

>  <CAS> (580)
848942-61-0

>  <URL> (580)
htt

$$$$
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htt

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htt

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htt

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>  <URL> (588)
htt

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HER2

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>  <URL> (589)
htt

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590

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Torkinib (PP

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TOR

>  <Target> (590)
mTOR

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Free Base

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1092351-67-1

>  <URL> (590)
htt

$$$$
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>  <Name> (591)
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>  <Synonyms> (591)
CYT

>  <Target> (591)
JAK 

>  <Form> (591)
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1056634-68-4

>  <URL> (591)
htt

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>  <Target> (592)
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405554-55-4 

>  <URL> (592)
htt

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>  <Mol_ID> (593)
593

>  <Formula> (593)
C22H18O11

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458.37172

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S2250

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(-)-Epigallo

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EGC

>  <Target> (593)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (593)
Free Base

>  <CAS> (593)
989-51-5

>  <URL> (593)
htt

$$$$
(+)-Usniacin.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (594)
594

>  <Formula> (594)
C18H16O7

>  <MolWeight> (594)
344.31544

>  <Cat> (594)
S2252

>  <Name> (594)
(+)-Usniacin

>  <Synonyms> (594)
D-U

>  <Target> (594)
Others

>  <Form> (594)
Free Base

>  <CAS> (594)
7562-61-0

>  <URL> (594)
htt

$$$$
AESCULIN.cdx
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (595)
595

>  <Formula> (595)
C15H16O9

>  <MolWeight> (595)
340.28214

>  <Cat> (595)
S2258

>  <Name> (595)
Aesculin (Es

>  <Synonyms> (595)
Esc

>  <Target> (595)
Others

>  <Form> (595)
Free Base

>  <CAS> (595)
531-75-9

>  <URL> (595)
htt

$$$$
Apigenin.cdx
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (596)
596

>  <Formula> (596)
C15H10O5

>  <MolWeight> (596)
270.2369

>  <Cat> (596)
S2262

>  <Name> (596)
Apigenin

>  <Synonyms> (596)
N/A

>  <Target> (596)
P450

>  <Form> (596)
Free Base

>  <CAS> (596)
520-36-5

>  <URL> (596)
htt

$$$$
Asiatic acid.cdx
csChFnd80/05202110422D

 38 42  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (597)
597

>  <Formula> (597)
C30H48O5

>  <MolWeight> (597)
488.69912

>  <Cat> (597)
S2266

>  <Name> (597)
Asiatic acid

>  <Synonyms> (597)
N/A

>  <Target> (597)
p38 MAPK

>  <Form> (597)
Free Base

>  <CAS> (597)
464-92-6

>  <URL> (597)
htt

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/05202110422D

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Berberine ch

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Antifection

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chloride

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633-65-8

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htt

$$$$
Cryptotanshinone.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (599)
599

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C19H20O3

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296.3603

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S2285

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Cryptotanshi

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N/A

>  <Target> (599)
STAT

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Free Base

>  <CAS> (599)
35825-57-1

>  <URL> (599)
htt

$$$$
Emodin.cdx
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (600)
600

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Emodin

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N/A

>  <Target> (600)
Dehydrogenase

>  <Form> (600)
Free Base

>  <CAS> (600)
518-82-1

>  <URL> (600)
htt

$$$$
Formononetin.cdx
csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (601)
601

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C16H12O4

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>  <Cat> (601)
S2299

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Formononetin

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Bio

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Others

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Free Base

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485-72-3

>  <URL> (601)
htt

$$$$
Fumalic acid.cdx
csChFnd80/05202110422D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (602)
602

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Fumalic acid

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Fer

>  <Target> (602)
Others

>  <Form> (602)
Free Base

>  <CAS> (602)
1135-24-6

>  <URL> (602)
htt

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Hesperetin.cdx
csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (603)
603

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C16H14O6

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N/A

>  <Target> (603)
Histamine Receptor

>  <Form> (603)
Free Base

>  <CAS> (603)
520-33-2

>  <URL> (603)
htt

$$$$
Honokiol.cdx
csChFnd80/05202110422D

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35354-74-6

>  <URL> (604)
htt

$$$$
Myricetin.cdx
csChFnd80/05202110422D

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605

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C15H10O8

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318.2351

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S2326

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Myricetin (C

>  <Synonyms> (605)
Can

>  <Target> (605)
NULL

>  <Form> (605)
Free Base

>  <CAS> (605)
529-44-2

>  <URL> (605)
htt

$$$$
Myricitrin.cdx
csChFnd80/05202110422D

 33 36  0  0  0  0  0  0  0  0999 V2000
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606

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464.3763

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Myricitrin (

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Myr

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PKC

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Free Base

>  <CAS> (606)
17912-87-7

>  <URL> (606)
htt

$$$$
Oridonin.cdx
csChFnd80/05202110422D

 28 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (607)
607

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C20H28O6

>  <MolWeight> (607)
364.43272

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Iso

>  <Target> (607)
Others

>  <Form> (607)
Free Base

>  <CAS> (607)
28957-04-2

>  <URL> (607)
htt

$$$$
Quercetin dihydrate.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (608)
608

>  <Formula> (608)
C15H14O9

>  <MolWeight> (608)
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>  <Cat> (608)
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Dihydrate

>  <CAS> (608)
6151-25-3

>  <URL> (608)
htt

$$$$
Dihydromyricetin.cdx
csChFnd80/05202110422D

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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  1  0  0  0
  9 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C15H12O8

>  <MolWeight> (609)
320.25098

>  <Cat> (609)
S2399

>  <Name> (609)
Dihydromyric

>  <Synonyms> (609)
Amp

>  <Target> (609)
Others

>  <Form> (609)
Free Base

>  <CAS> (609)
27200-12-0

>  <URL> (609)
htt

$$$$
Sophocarpine.cdx
csChFnd80/05202110422D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  2  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  1  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  1  1  0  0  0
 10 20  1  6  0  0  0
  9 21  1  6  0  0  0
  8 22  1  6  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C15H22N2O

>  <MolWeight> (610)
246.34798

>  <Cat> (610)
S2405

>  <Name> (610)
Sophocarpine

>  <Synonyms> (610)
N/A

>  <Target> (610)
Others

>  <Form> (610)
Free Base

>  <CAS> (610)
6483-15-4

>  <URL> (610)
htt

$$$$
Chrysophanic acid.cdx
csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  0  0  0  0
 10 16  2  0  0  0  0
  7 17  2  0  0  0  0
 11 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C15H10O4

>  <MolWeight> (611)
254.2375

>  <Cat> (611)
S2406

>  <Name> (611)
Chrysophanic

>  <Synonyms> (611)
Chr

>  <Target> (611)
EGFR, mTOR

>  <Form> (611)
Free Base

>  <CAS> (611)
481-74-3

>  <URL> (611)
htt

$$$$
Curcumol.cdx
csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C15H24O2

>  <MolWeight> (612)
236.34986

>  <Cat> (612)
S2407

>  <Name> (612)
Curcumol

>  <Synonyms> (612)
N/A

>  <Target> (612)
JAK

>  <Form> (612)
Free Base

>  <CAS> (612)
4871-97-0

>  <URL> (612)
htt

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/05202110422D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4455    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.3528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C18H29ClN2O

>  <MolWeight> (613)
324.88866

>  <Cat> (613)
S2454

>  <Name> (613)
Bupivacaine 

>  <Synonyms> (613)
Mar

>  <Target> (613)
Sodium Channel

>  <Form> (613)
Hydrochlo

>  <CAS> (613)
18010-40-7

>  <URL> (613)
sel

$$$$
Imatinib.cdx
csChFnd80/05202110422D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8951    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
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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htt

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htt

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M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C28H21N7OS

>  <MolWeight> (618)
503.57764

>  <Cat> (618)
S2719

>  <Name> (618)
AMG 900

>  <Synonyms> (618)
N/A

>  <Target> (618)
Aurora Kinase

>  <Form> (618)
Free Base

>  <CAS> (618)
945595-80-2

>  <URL> (618)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (619)
619

>  <Formula> (619)
C22H30Cl2N4O6

>  <MolWeight> (619)
517.4028

>  <Cat> (619)
S2485

>  <Name> (619)
Mitoxantrone

>  <Synonyms> (619)
NSC

>  <Target> (619)
Topoisomerase

>  <Form> (619)
Dihydroch

>  <CAS> (619)
70476-82-3

>  <URL> (619)
htt

$$$$
GSK2126458.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (620)
620

>  <Formula> (620)
C25H17F2N5O3S

>  <MolWeight> (620)
505.4959864

>  <Cat> (620)
S2658

>  <Name> (620)
Omipalisib (

>  <Synonyms> (620)
N/A

>  <Target> (620)
PI3K, mTOR

>  <Form> (620)
Free Base

>  <CAS> (620)
1086062-66-9

>  <URL> (620)
htt

$$$$
fty720.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (621)
621

>  <Formula> (621)
C19H34ClNO2

>  <MolWeight> (621)
343.93176

>  <Cat> (621)
S5002

>  <Name> (621)
Fingolimod (

>  <Synonyms> (621)
Gil

>  <Target> (621)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (621)
Hydrochlo

>  <URL> (621)
htt

$$$$
CP-690550 citrate.cdx
csChFnd80/05202110422D

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htt

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625

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489.52792

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S2227

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PIK-294

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N/A

>  <Target> (625)
PI3K 

>  <Form> (625)
Free Base

>  <CAS> (625)
900185-02-6

>  <URL> (625)
htt

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/05202110422D

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626

>  <Formula> (626)
C20H16ClN5O3

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409.82574

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S2231

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Telatinib (B

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N/A

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VEGFR, PDGFR, c-Kit

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Free Base

>  <CAS> (626)
332012-40-5

>  <URL> (626)
htt

$$$$
Phenformin hydrochloride.cdx
csChFnd80/05202110422D

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627

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C10H16ClN5

>  <MolWeight> (627)
241.72054

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S2542

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Phenformin h

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N/A

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AMPK

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Hydrochlo

>  <CAS> (627)
834-28-6

>  <URL> (627)
htt

$$$$
AZD5438.cdx
csChFnd80/05202110422D

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628

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CDK

>  <Form> (628)
Free Base

>  <CAS> (628)
602306-29-6 

>  <URL> (628)
htt

$$$$
OSI-027.cdx
csChFnd80/05202110422D

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>  <Cat> (629)
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OSI-027

>  <Synonyms> (629)
N/A

>  <Target> (629)
mTOR

>  <Form> (629)
Free Base

>  <CAS> (629)
936890-98-1

>  <URL> (629)
htt

$$$$
PP121.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (630)
630

>  <Formula> (630)
C17H17N7

>  <MolWeight> (630)
319.36378

>  <Cat> (630)
S2622

>  <Name> (630)
PP-121

>  <Synonyms> (630)
N/A

>  <Target> (630)
DNA-PK, mTOR, PDGF

>  <Form> (630)
Free Base

>  <CAS> (630)
1092788-83-4

>  <URL> (630)
htt

$$$$
WP1130.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (631)
631

>  <Formula> (631)
C19H18BrN3O

>  <MolWeight> (631)
384.26972

>  <Cat> (631)
S2243

>  <Name> (631)
Degrasyn (WP

>  <Synonyms> (631)
N/A

>  <Target> (631)
DUB, Bcr-Abl

>  <Form> (631)
Free Base

>  <CAS> (631)
856243-80-6

>  <URL> (631)
htt

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C11H18ClNO3

>  <MolWeight> (632)
247.71852

>  <Cat> (632)
S2566

>  <Name> (632)
Isoprenaline

>  <Synonyms> (632)
Isu

>  <Target> (632)
Adrenergic Receptor

>  <Form> (632)
Hydrochlo

>  <CAS> (632)
51-30-9

>  <URL> (632)
htt

$$$$
BKM-120.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (633)
633

>  <Formula> (633)
C18H21F3N6O2

>  <MolWeight> (633)
410.3935496

>  <Cat> (633)
S2247

>  <Name> (633)
BKM120 (NVP-

>  <Synonyms> (633)
N/A

>  <Target> (633)
PI3K

>  <Form> (633)
Free Base

>  <CAS> (633)
944396-07-0

>  <URL> (633)
htt

$$$$
CX-4945.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (634)
634

>  <Formula> (634)
C19H12ClN3O2

>  <MolWeight> (634)
349.77048

>  <Cat> (634)
S2248

>  <Name> (634)
cx-4945 (Sil

>  <Synonyms> (634)
N/A

>  <Target> (634)
PKC

>  <Form> (634)
Free Base

>  <CAS> (634)
1009820-21-6

>  <URL> (634)
htt

$$$$
LY2157299.cdx
csChFnd80/05202110422D

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htt

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htt

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htt

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HSP

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30562-34-6

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htt

$$$$
A769662.cdx
csChFnd80/05202110422D

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htt

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csChFnd80/05202110422D

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>  <CAS> (659)
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>  <URL> (659)
htt

$$$$
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csChFnd80/05202110422D

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htt

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ZM336372.cdx
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htt

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GSK1070916.cdx
csChFnd80/05202110422D

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htt

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936091-26-8

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htt

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1124329-14-1

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htt

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1007207-67-1

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htt

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>  <CAS> (666)
1032754-93-0

>  <URL> (666)
htt

$$$$
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M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C22H27N5O4

>  <MolWeight> (676)
425.48088

>  <Cat> (676)
S2743

>  <Name> (676)
PF-04691502

>  <Synonyms> (676)
N/A

>  <Target> (676)
mTOR, PI3K, Akt

>  <Form> (676)
Free Base

>  <CAS> (676)
1013101-36-4

>  <URL> (676)
htt

$$$$
Benidipine hydrochloride.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C28H32ClN3O6

>  <MolWeight> (677)
542.02318

>  <Cat> (677)
S2017

>  <Name> (677)
Benidipine h

>  <Synonyms> (677)
N/A

>  <Target> (677)
calcium channel

>  <Form> (677)
Hydrochlo

>  <CAS> (677)
91599-74-5

>  <URL> (677)
htt

$$$$
Lonidamine.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C15H10Cl2N2O2

>  <MolWeight> (678)
321.1581

>  <Cat> (678)
S2610

>  <Name> (678)
Lonidamine

>  <Synonyms> (678)
N/A

>  <Target> (678)
Others

>  <Form> (678)
Free Base

>  <CAS> (678)
50264-69-2

>  <URL> (678)
htt

$$$$
CP 673451.cdx
csChFnd80/05202110422D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C24H27N5O2

>  <MolWeight> (679)
417.50348

>  <Cat> (679)
S1536

>  <Name> (679)
CP 673451

>  <Synonyms> (679)
CP6

>  <Target> (679)
Others

>  <Form> (679)
Free Base

>  <CAS> (679)
343787-29-1

>  <URL> (679)
htt

$$$$
Acarbose.cdx
csChFnd80/05202110422D

 44 47  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/05202110422D

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htt

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PHA.cdx
csChFnd80/05202110422D

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htt

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Sodium salicylate.cdx
csChFnd80/05202110422D

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54-21-7

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htt

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htt

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csChFnd80/05202110422D

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htt

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csChFnd80/05202110422D

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M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C18H22N2O

>  <MolWeight> (699)
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Tyrphostin 9

>  <Synonyms> (699)
Tyr

>  <Target> (699)
EGFR

>  <Form> (699)
Free Base

>  <CAS> (699)
10537-47-0

>  <URL> (699)
htt

$$$$
ZM323881 HCl.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C22H19ClFN3O2

>  <MolWeight> (700)
411.8565632

>  <Cat> (700)
S2896

>  <Name> (700)
ZM 323881 HC

>  <Synonyms> (700)
N/A

>  <Target> (700)
VEGFR

>  <Form> (700)
Hydrochlo

>  <CAS> (700)
193000-39-4

>  <URL> (700)
htt

$$$$
ZM306416.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C16H13ClFN3O2

>  <MolWeight> (701)
333.7447232

>  <Cat> (701)
S2897

>  <Name> (701)
ZM 306416

>  <Synonyms> (701)
N/A

>  <Target> (701)
VEGFR

>  <Form> (701)
Free Base

>  <CAS> (701)
690206-97-4

>  <URL> (701)
htt

$$$$
S-Ruxolitinib.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (702)
702

>  <Formula> (702)
C17H18N6

>  <MolWeight> (702)
306.36502

>  <Cat> (702)
S2902

>  <Name> (702)
S-Ruxolitini

>  <Synonyms> (702)
N/A

>  <Target> (702)
JAK

>  <Form> (702)
Free Base

>  <CAS> (702)
941685-37-6

>  <URL> (702)
htt

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C19H21ClFNO3

>  <MolWeight> (703)
365.8263432

>  <Cat> (703)
S3005

>  <Name> (703)
Paroxetine H

>  <Synonyms> (703)
N/A

>  <Target> (703)
5-HT Receptor

>  <Form> (703)
Hydrochlo

>  <CAS> (703)
78246-49-8

>  <URL> (703)
htt

$$$$
PF477736.cdx
csChFnd80/05202110422D

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htt

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EGFR

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610798-31-7

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htt

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htt

$$$$
TDZD-8.cdx
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htt

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htt

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M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C20H22BrCl2N3O2S

>  <MolWeight> (713)
519.28258

>  <Cat> (713)
S1582

>  <Name> (713)
H 89 2HCl

>  <Synonyms> (713)
N/A

>  <Target> (713)
S6 Kinase

>  <Form> (713)
Dihydroch

>  <CAS> (713)
130964-39-5

>  <URL> (713)
htt

$$$$
Oxfendazole.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C15H13N3O3S

>  <MolWeight> (714)
315.34702

>  <Cat> (714)
S1830

>  <Name> (714)
Oxfendazole

>  <Synonyms> (714)
N/A

>  <Target> (714)
Antifection

>  <Form> (714)
Free Base

>  <CAS> (714)
53716-50-0

>  <URL> (714)
htt

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C18H23Cl2NO

>  <MolWeight> (715)
340.28732

>  <Cat> (715)
S2499

>  <Name> (715)
Phenoxybenza

>  <Synonyms> (715)
N/A

>  <Target> (715)
Androgen Receptor

>  <Form> (715)
HCl

>  <CAS> (715)
63-92-3

>  <URL> (715)
htt

$$$$
Pazopanib.cdx
csChFnd80/05202110422D

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.4663    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C21H23N7O2S

>  <MolWeight> (716)
437.51802

>  <Cat> (716)
S3012

>  <Name> (716)
Pazopanib

>  <Synonyms> (716)
N/A

>  <Target> (716)
VEGFR

>  <Form> (716)
Free Base

>  <CAS> (716)
444731-52-6

>  <URL> (716)
htt

$$$$
BAY 11-7082.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C10H9NO2S

>  <MolWeight> (717)
207.24896

>  <Cat> (717)
S2913

>  <Name> (717)
BAY 11-7082 

>  <Synonyms> (717)
N/A

>  <Target> (717)
I¦ÊB/IKK

>  <Form> (717)
Free Base

>  <CAS> (717)
19542-67-7

>  <URL> (717)
htt

$$$$
GNF-2.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (718)
718

>  <Formula> (718)
C18H13F3N4O2

>  <MolWeight> (718)
374.3166296

>  <Cat> (718)
S2899

>  <Name> (718)
GNF-2

>  <Synonyms> (718)
N/A

>  <Target> (718)
Bcr-Abl

>  <Form> (718)
Free Base

>  <CAS> (718)
778270-11-4

>  <URL> (718)
htt

$$$$
OSI-906.cdx
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htt

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aicar.cdx
csChFnd80/05202110422D

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htt

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csChFnd80/05202110422D

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>  <Target> (721)
VEGFR

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Malate

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1140909-48-3

>  <URL> (721)
htt

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PF-04708671.cdx
csChFnd80/05202110422D

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>  <URL> (722)
htt

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SL327.cdx
csChFnd80/05202110422D

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Free Base

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354812-17-2

>  <URL> (726)
htt

$$$$
Doxapram HCl.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (727)
727

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C24H33ClN2O3

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Doxapram HCl

>  <Synonyms> (727)
N/A

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Potassium Channel

>  <Form> (727)
HCl

>  <CAS> (727)
7081-53-0

>  <URL> (727)
htt

$$$$
nifuroxazide.cdx
csChFnd80/05202110422D

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728

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C12H9N3O5

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275.21696

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Nifuroxazide

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N/A

>  <Target> (728)
STAT

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Free Base

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965-52-6

>  <URL> (728)
htt

$$$$
MDBN.cdx
csChFnd80/05202110422D

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729

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C9H7NO4

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Tyrosinase,p97,Syk,Src

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Free Base

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1485-00-3

>  <URL> (729)
htt

$$$$
VX-745.cdx
csChFnd80/05202110422D

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730

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VX-745

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p38 MAPK 

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209410-46-8

>  <URL> (730)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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731

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Akt

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35943-35-2

>  <URL> (731)
htt

$$$$
Taxifolin (Dihydroquercetin).cdx
csChFnd80/05202110422D

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htt

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htt

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M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C24H25ClFN5O3

>  <MolWeight> (736)
485.9384032

>  <Cat> (736)
S1011

>  <Name> (736)
Afatinib (BI

>  <Synonyms> (736)
N/A

>  <Target> (736)
EGFR

>  <Form> (736)
Free Base

>  <CAS> (736)
439081-18-2

>  <URL> (736)
htt

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C44H69NO12

>  <MolWeight> (737)
804.01816

>  <Cat> (737)
S5003

>  <Name> (737)
Tacrolimus (

>  <Synonyms> (737)
FR9

>  <Target> (737)
mTOR

>  <Form> (737)
Free Base

>  <CAS> (737)
104987-11-3

>  <URL> (737)
htt

$$$$
R-Ruxolitinib.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C17H18N6

>  <MolWeight> (738)
306.36502

>  <Cat> (738)
S1378

>  <Name> (738)
Ruxolitinib 

>  <Synonyms> (738)
N/A

>  <Target> (738)
JAK

>  <Form> (738)
Free Base

>  <CAS> (738)
941678-49-5

>  <URL> (738)
htt

$$$$
Temsirolimus.cdx
csChFnd80/05202110422D

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Free Base

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714971-09-2

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htt

$$$$
S1263.cdx
csChFnd80/05202110422D

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743

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C22H18Cl2N8

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N/A

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GSK-3

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Free Base

>  <CAS> (743)
252917-06-9

>  <URL> (743)
htt

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (744)
744

>  <Formula> (744)
C21H20ClNO5

>  <MolWeight> (744)
401.8402

>  <Cat> (744)
S1230

>  <Name> (744)
Flavopiridol

>  <Synonyms> (744)
NSC

>  <Target> (744)
CDK

>  <Form> (744)
Free Base

>  <CAS> (744)
146426-40-6

>  <URL> (744)
htt

$$$$
6-Benzylaminopurine.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (745)
745

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C12H11N5

>  <MolWeight> (745)
225.24924

>  <Cat> (745)
S4511

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N/A

>  <Target> (745)
Others

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Free Base

>  <CAS> (745)
1214-39-7

>  <URL> (745)
htt

$$$$

csChFnd80/05202110422D

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C6H13Li3O11

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Citric acid 

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Tri

>  <Target> (746)
Others

>  <Form> (746)
Free Base

>  <CAS> (746)
6080-58-6

>  <URL> (746)
htt

$$$$
Danthron.cdx
csChFnd80/05202110422D

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747

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Danthron

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chr

>  <Target> (747)
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>  <Form> (747)
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>  <CAS> (747)
117-10-2

>  <URL> (747)
htt

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/05202110422D

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htt

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S4711 Esculetin.cdx
csChFnd80/05202110422D

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Free Base

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305-01-1

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htt

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S4701 2-Deoxy-D-glucose.cdx
csChFnd80/05202110422D

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750

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154-17-6

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htt

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/05202110422D

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htt

$$$$

csChFnd80/05202110422D

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htt

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S4736 Trapidil.cdx
csChFnd80/05202110422D

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htt

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S4743 Wogonin.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C16H12O5

>  <MolWeight> (754)
284.26348

>  <Cat> (754)
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>  <Name> (754)
Wogonin

>  <Synonyms> (754)
Vog

>  <Target> (754)
CDK

>  <Form> (754)
Free Base

>  <CAS> (754)
632-85-9

>  <URL> (754)
htt

$$$$
NS-187.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (755)
755

>  <Formula> (755)
C30H31F3N8O

>  <MolWeight> (755)
576.6153496

>  <Cat> (755)
S1369

>  <Name> (755)
Bafetinib (I

>  <Synonyms> (755)
NS-

>  <Target> (755)
Abl,Lyn

>  <Form> (755)
Free Base

>  <CAS> (755)
859212-16-1

>  <URL> (755)
htt

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/05202110422D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (756)
756

>  <Formula> (756)
C37H42Cl2N2O6

>  <MolWeight> (756)
681.64518

>  <Cat> (756)
S3609

>  <Name> (756)
Berbamine (d

>  <Synonyms> (756)
N/A

>  <Target> (756)
NF-¦ÊB,bcr/abl

>  <Form> (756)
dihydroch

>  <CAS> (756)
6078-17-7

>  <URL> (756)
htt

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C18H16O8

>  <MolWeight> (757)
360.31484

>  <Cat> (757)
S3612

>  <Name> (757)
Rosmarinic a

>  <Synonyms> (757)
Ros

>  <Target> (757)
IKK ¦Â

>  <Form> (757)
free base

>  <CAS> (757)
20283-92-5

>  <URL> (757)
htt

$$$$
S3606 Fangchinoline.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C37H40N2O6

>  <MolWeight> (758)
608.7233

>  <Cat> (758)
S3606

>  <Name> (758)
Fangchinolin

>  <Synonyms> (758)
N/A

>  <Target> (758)
HIV-1

>  <Form> (758)
free base

>  <CAS> (758)
33889-68-8

>  <URL> (758)
htt

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C4H7NO2

>  <MolWeight> (759)
101.10388

>  <Cat> (759)
S3699

>  <Name> (759)
2,3-Butanedi

>  <Synonyms> (759)
Dia

>  <Target> (759)
skeletal muscle myosin-II

>  <Form> (759)
free base

>  <CAS> (759)
57-71-6

>  <URL> (759)
htt

$$$$
S3616 Asiaticoside.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C48H78O19

>  <MolWeight> (760)
959.12152

>  <Cat> (760)
S3616

>  <Name> (760)
Asiaticoside

>  <Synonyms> (760)
Ba 

>  <Target> (760)
Others

>  <Form> (760)
free base

>  <CAS> (760)
16830-15-2

>  <URL> (760)
htt

$$$$
S3611 (+)-Fangchinoline.cdx
csChFnd80/05202110422D

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    8.0038    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    3.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4038    2.4240    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.1042    1.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1034    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2038    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2046    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6038    2.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5034    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6046    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3042    1.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3034    3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7034    3.6384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    3.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    5.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6996    5.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371    3.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7  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  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
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  9 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 22  1  0  0  0  0
M  END
>  <Mol_ID> (767)
767

>  <Formula> (767)
C19H18N4O2S

>  <MolWeight> (767)
366.43682

>  <Cat> (767)
S3666

>  <Name> (767)
Ilaprazole

>  <Synonyms> (767)
IY-

>  <Target> (767)
Proton pump,TOPK 

>  <Form> (767)
free base

>  <CAS> (767)
172152-36-2

>  <URL> (767)
htt

$$$$
S3939 4'-Methoxyresveratrol.cdx
csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
    7.2831    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  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
  5 10  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (768)
768

>  <Formula> (768)
C15H14O3

>  <MolWeight> (768)
242.26986

>  <Cat> (768)
S3939

>  <Name> (768)
4'-Methoxyre

>  <Synonyms> (768)
N/A

>  <Target> (768)
Others

>  <Form> (768)
free base

>  <CAS> (768)
33626-08-3

>  <URL> (768)
htt

$$$$
S3940 3'-Hydroxypterostilbene.cdx
csChFnd80/05202110422D

 20 21  0  0  0  0  0  0  0  0999 V2000
    9.6900    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    7.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0527    4.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    4.2009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4228    2.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    0.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    4.9030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1149    7.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6900    8.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C16H16O4

>  <MolWeight> (769)
272.29584

>  <Cat> (769)
S3940

>  <Name> (769)
3'-Hydroxypt

>  <Synonyms> (769)
3'-

>  <Target> (769)
Others

>  <Form> (769)
free base

>  <CAS> (769)
475231-21-1

>  <URL> (769)
htt

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/05202110422D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  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
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C18H22O4

>  <MolWeight> (770)
302.36488

>  <Cat> (770)
S3984

>  <Name> (770)
Nordihydrogu

>  <Synonyms> (770)
N/A

>  <Target> (770)
lipoxygenase

>  <Form> (770)
free base

>  <CAS> (770)
500-38-9

>  <URL> (770)
htt

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/05202110422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (771)
771

>  <Formula> (771)
C6H13NO4

>  <MolWeight> (771)
163.17172

>  <Cat> (771)
S3839

>  <Name> (771)
1-Deoxynojir

>  <Synonyms> (771)
duv

>  <Target> (771)
¦Á-glucosidase

>  <Form> (771)
free base

>  <CAS> (771)
19130-96-2

>  <URL> (771)
htt

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/05202110422D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.0390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C13H13ClN2O

>  <MolWeight> (772)
248.70812

>  <Cat> (772)
S3817

>  <Name> (772)
Harmine hydr

>  <Synonyms> (772)
tel

>  <Target> (772)
DYRK1A,MNB,DYRK1B,DYRK2

>  <Form> (772)
hydrochlo

>  <CAS> (772)
343-27-1

>  <URL> (772)
htt

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  3  1  0  0  0  0
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 16 11  1  0  0  0  0
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M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C19H20O5

>  <MolWeight> (773)
328.3591

>  <Cat> (773)
S3819

>  <Name> (773)
Decursinol a

>  <Synonyms> (773)
N/A

>  <Target> (773)
PKC

>  <Form> (773)
free base

>  <CAS> (773)
130848-06-5

>  <URL> (773)
htt

$$$$
S3824 Quercitrin.cdx
csChFnd80/05202110422D

 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
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  5 10  1  0  0  0  0
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 12  6  1  1  0  0  0
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 10 16  1  0  0  0  0
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 29 32  1  1  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C21H20O11

>  <MolWeight> (774)
448.3769

>  <Cat> (774)
S3824

>  <Name> (774)
Quercitrin

>  <Synonyms> (774)
3-r

>  <Target> (774)
Others

>  <Form> (774)
free base

>  <CAS> (774)
522-12-3

>  <URL> (774)
htt

$$$$
S3836 6-Gingerol.cdx
csChFnd80/05202110422D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 18  1  0  0  0  0
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M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C17H26O4

>  <MolWeight> (775)
294.38594

>  <Cat> (775)
S3836

>  <Name> (775)
6-Gingerol

>  <Synonyms> (775)
CI-

>  <Target> (775)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (775)
free base

>  <CAS> (775)
23513-14-6

>  <URL> (775)
htt

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/05202110422D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 21  5  1  0  0  0  0
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 19  6  2  0  0  0  0
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 11  7  1  0  0  0  0
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 20  8  2  0  0  0  0
 13 10  1  0  0  0  0
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C19H17NaO6S

>  <MolWeight> (776)
396.38945

>  <Cat> (776)
S3766

>  <Name> (776)
Tanshinone I

>  <Synonyms> (776)
N/A

>  <Target> (776)
CYP3A4

>  <Form> (776)
sodium sa

>  <CAS> (776)
69659-80-9

>  <URL> (776)
htt

$$$$
S3759 Norcantharidin.cdx
csChFnd80/05202110422D

 12 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C8H8O4

>  <MolWeight> (777)
168.14672

>  <Cat> (777)
S3759

>  <Name> (777)
Norcantharid

>  <Synonyms> (777)
End

>  <Target> (777)
c-Met,EGFR

>  <Form> (777)
free base

>  <CAS> (777)
29745-04-8

>  <URL> (777)
htt

$$$$
S3783 Echinacoside.cdx
csChFnd80/05202110422D

 55 59  0  0  0  0  0  0  0  0999 V2000
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   11.8689    8.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Target> (778)
Others

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free base

>  <CAS> (778)
82854-37-3

>  <URL> (778)
htt

$$$$
S3784 Obacunone.cdx
csChFnd80/05202110422D

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779

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>  <Cat> (779)
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>  <Name> (779)
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>  <Synonyms> (779)
N/A

>  <Target> (779)
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>  <Form> (779)
free base

>  <CAS> (779)
751-03-1

>  <URL> (779)
htt

$$$$
S3786 Glabridin.cdx
csChFnd80/05202110422D

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780

>  <Formula> (780)
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>  <Cat> (780)
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>  <Name> (780)
Glabridin

>  <Synonyms> (780)
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>  <Target> (780)
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>  <Form> (780)
free base

>  <CAS> (780)
59870-68-7

>  <URL> (780)
htt

$$$$
S3787 Picroside I.cdx
csChFnd80/05202110422D

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api

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htt

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htt

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785

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C41H68O14

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AST

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free base

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84687-43-4

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htt

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S3781 Ginkgolide C.cdx
csChFnd80/05202110422D

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free base

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15291-76-6

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htt

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S3799 Gentisic acid.cdx
csChFnd80/05202110422D

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787

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490-79-9

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htt

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csChFnd80/05202110422D

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C27H34O11

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Phi

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htt

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htt

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htt

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1231930-82-7

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htt

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htt

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csChFnd80/05202110422D

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50-63-5

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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htt

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csChFnd80/05202110422D

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free base

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htt

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csChFnd80/05202110422D

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htt

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csChFnd80/05202110422D

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htt

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819

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Others

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free base

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80418-24-2

>  <URL> (819)
htt

$$$$
GW 5074.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (820)
820

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N/A

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Raf

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free base

>  <CAS> (820)
220904-83-6

>  <URL> (820)
htt

$$$$
Methyl-Hesperidin.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (821)
821

>  <Formula> (821)
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>  <Cat> (821)
S2323

>  <Name> (821)
Methyl-Hespe

>  <Form> (821)
free base

>  <CAS> (821)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (822)
822

>  <Formula> (822)
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>  <Cat> (822)
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>  <Synonyms> (822)
N/A

>  <Target> (822)
Aurora Kinase

>  <Form> (822)
Mesylate

>  <CAS> (822)
1146618-41-8

>  <URL> (822)
htt

$$$$
S3810 Scutellarin.cdx
csChFnd80/05202110422D

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823

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Bre

>  <Target> (823)
Others

>  <Form> (823)
free base

>  <CAS> (823)
27740-01-8

>  <URL> (823)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (824)
824

>  <Formula> (824)
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>  <MolWeight> (824)
485.9384032

>  <Cat> (824)
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>  <Name> (824)
CI-1033 (Can

>  <Synonyms> (824)
PD-

>  <Target> (824)
EGFR, HER2

>  <Form> (824)
Free Base

>  <CAS> (824)
267243-28-7

>  <URL> (824)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (825)
825

>  <Formula> (825)
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>  <MolWeight> (825)
562.70298

>  <Cat> (825)
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>  <Name> (825)
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>  <Synonyms> (825)
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>  <Target> (825)
Flt

>  <Form> (825)
Free Base

>  <CAS> (825)
387867-13-2

>  <URL> (825)
htt

$$$$
untitled.cdx
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>  <Target> (831)
ATM/ATR

>  <Form> (831)
Free Base

>  <CAS> (831)
1232410-49-9

>  <URL> (831)
htt

$$$$
GSK2636771.cdx
csChFnd80/05202110422D

 31 34  0  0  0  0  0  0  0  0999 V2000
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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
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 31 23  1  0  0  0  0
M  END
>  <Mol_ID> (832)
832

>  <Formula> (832)
C22H22F3N3O3

>  <MolWeight> (832)
433.4235896

>  <Cat> (832)
S8002

>  <Name> (832)
GSK2636771

>  <Synonyms> (832)
N/A

>  <Target> (832)
PI3K

>  <Form> (832)
Free Base

>  <CAS> (832)
1372540-25-4

>  <URL> (832)
htt

$$$$
PQ 401.cdx
csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0588    4.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6363    0.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6423    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  0  0  0  0
  4  8  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (833)
833

>  <Formula> (833)
C18H16ClN3O2

>  <MolWeight> (833)
341.79154

>  <Cat> (833)
S8003

>  <Name> (833)
PQ 401

>  <Synonyms> (833)
N/A

>  <Target> (833)
IGF-1R

>  <Form> (833)
Free Base

>  <CAS> (833)
196868-63-0

>  <URL> (833)
htt

$$$$
AG 18.cdx
csChFnd80/05202110422D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 13  3  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (834)
834

>  <Formula> (834)
C10H6N2O2

>  <MolWeight> (834)
186.16684

>  <Cat> (834)
S8009

>  <Name> (834)
AG 18 (Tyrph

>  <Synonyms> (834)
RG-

>  <Target> (834)
EGFR

>  <Form> (834)
Free Base

>  <CAS> (834)
118409-57-7

>  <URL> (834)
htt

$$$$

csChFnd80/05202110422D

 37 40  0  0  0  0  0  0  0  0999 V2000
    8.2594    6.0622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1594    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7594    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    3.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6050    4.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
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  9 11  1  0  0  0  0
  4  7  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 36 37  1  0  0  0  0
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 19 23  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (835)
835

>  <Formula> (835)
C24H22F3N5O5

>  <MolWeight> (835)
517.4571896

>  <Cat> (835)
S8015

>  <Name> (835)
CEP-32496

>  <Synonyms> (835)
N/A

>  <Target> (835)
Raf

>  <Form> (835)
Free Base

>  <CAS> (835)
1188910-76-0

>  <URL> (835)
htt

$$$$
GW 9508.cdx
csChFnd80/05202110422D

 26 28  0  0  0  0  0  0  0  0999 V2000
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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csChFnd80/05202110422D

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htt

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htt

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>  <Mol_ID> (851)
851

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C18H13N7S

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359.40772

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SGX-523

>  <Synonyms> (851)
N/A

>  <Target> (851)
c-Met 

>  <Form> (851)
Free Base

>  <CAS> (851)
1022150-57-7

>  <URL> (851)
htt

$$$$
untitled.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (852)
852

>  <Formula> (852)
C21H16N6O2S2

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448.52074

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S1118

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XL147 analog

>  <Synonyms> (852)
SAR

>  <Target> (852)
PI3K 

>  <Form> (852)
Free Base

>  <CAS> (852)
956958-53-5

>  <URL> (852)
htt

$$$$
s1023.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (853)
853

>  <Formula> (853)
C22H24ClN3O4

>  <MolWeight> (853)
429.89666

>  <Cat> (853)
S1023

>  <Name> (853)
Erlotinib(OS

>  <Synonyms> (853)
(CP

>  <Target> (853)
EGFR

>  <Form> (853)
Hydrochlo

>  <CAS> (853)
183319-69-9

>  <URL> (853)
htt

$$$$
PIK-75 Hydrochloride.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (854)
854

>  <Formula> (854)
C16H15BrClN5O4S

>  <MolWeight> (854)
488.7434

>  <Cat> (854)
S1205

>  <Name> (854)
PIK-75 

>  <Synonyms> (854)
N/A

>  <Target> (854)
PI3K, DNA-PK

>  <Form> (854)
Hydrochlo

>  <CAS> (854)
372196-77-5

>  <URL> (854)
htt

$$$$
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csChFnd80/05202110422D

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M  END
>  <Mol_ID> (855)
855

>  <Formula> (855)
C25H52NO4P

>  <MolWeight> (855)
461.658441

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>  <Name> (855)
Perifosine (

>  <Synonyms> (855)
NSC

>  <Target> (855)
Akt

>  <Form> (855)
Free Base

>  <CAS> (855)
157716-52-4

>  <URL> (855)
htt

$$$$
Ellagic acid.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (856)
856

>  <Formula> (856)
C14H6O8

>  <MolWeight> (856)
302.19264

>  <Cat> (856)
S1327

>  <Name> (856)
Ellagic acid

>  <Synonyms> (856)
N/A

>  <Target> (856)
Topoisomerases

>  <Form> (856)
Free Base

>  <CAS> (856)
476-66-4

>  <URL> (856)
htt

$$$$
bms-707035.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (857)
857

>  <Formula> (857)
C18H11N3O2S

>  <MolWeight> (857)
333.36384

>  <Cat> (857)
S1360

>  <Name> (857)
GSK1059615

>  <Synonyms> (857)
N/A

>  <Target> (857)
PI3K, mTOR

>  <Form> (857)
Free Base

>  <CAS> (857)
958852-01-2

>  <URL> (857)
htt

$$$$
LY2228820.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (858)
858

>  <Formula> (858)
C26H37FN6O6S2

>  <MolWeight> (858)
612.7369832

>  <Cat> (858)
S1494

>  <Name> (858)
LY2228820

>  <Synonyms> (858)
N/A

>  <Target> (858)
p38 MAPK

>  <Form> (858)
Dimesylat

>  <CAS> (858)
862507-23-1

>  <URL> (858)
htt

$$$$
CCT129202.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (859)
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>  <Formula> (859)
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>  <Synonyms> (859)
N/A

>  <Target> (859)
Aurora Kinase

>  <Form> (859)
Free Base

>  <CAS> (859)
942947-93-5

>  <URL> (859)
htt

$$$$
Neratinib.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (860)
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>  <Name> (860)
Neratinib (H

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N/A

>  <Target> (860)
HER2, EGFR

>  <Form> (860)
Free Base

>  <CAS> (860)
698387-09-6

>  <URL> (860)
htt

$$$$
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861

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R935788 (Fos

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N/A

>  <Target> (861)
Syk

>  <Form> (861)
Sodium Sa

>  <CAS> (861)
1025687-58-4

>  <URL> (861)
htt

$$$$
untitled.cdx
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>  <Mol_ID> (862)
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>  <Formula> (862)
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>  <Target> (862)
p38 MAPK 

>  <Form> (862)
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>  <CAS> (862)
745833-23-2

>  <URL> (862)
htt

$$$$
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>  <Mol_ID> (863)
863

>  <Formula> (863)
C32H41N9O4

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N/A

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mTOR, PI3K

>  <Form> (863)
Free Base

>  <CAS> (863)
1197160-78-3

>  <URL> (863)
htt

$$$$
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csChFnd80/05202110422D

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>  <Mol_ID> (864)
864

>  <Formula> (864)
C6H13Cl2N7O3

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302.11852

>  <Cat> (864)
S2560

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Amiloride hy

>  <Synonyms> (864)
MK-

>  <Target> (864)
Sodium Channel

>  <Form> (864)
hydrochlo

>  <CAS> (864)
17440-83-4

>  <URL> (864)
htt

$$$$
NU-7441(KU-57788).cdx
csChFnd80/05202110422D

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>  <Mol_ID> (865)
865

>  <Formula> (865)
C25H19NO3S

>  <MolWeight> (865)
413.48826

>  <Cat> (865)
S2638

>  <Name> (865)
NU7441(KU-57

>  <Synonyms> (865)
N/A

>  <Target> (865)
DNA-PK, PI3K

>  <Form> (865)
Free Base

>  <CAS> (865)
503468-95-9 

>  <URL> (865)
htt

$$$$
SCH 900776.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (866)
866

>  <Formula> (866)
C15H18BrN7

>  <MolWeight> (866)
376.25432

>  <Cat> (866)
S2735

>  <Name> (866)
MK-8776 (SCH

>  <Synonyms> (866)
N/A

>  <Target> (866)
CHK

>  <Form> (866)
Free Base

>  <CAS> (866)
891494-63-6

>  <URL> (866)
htt

$$$$
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csChFnd80/05202110422D

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htt

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htt

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htt

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htt

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htt

$$$$
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htt

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>  <URL> (873)
htt

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Dibutyryl-cAMP.cdx
csChFnd80/05202110422D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (879)
879

>  <Formula> (879)
C18H23N5NaO8P

>  <MolWeight> (879)
491.367451

>  <Cat> (879)
S7858

>  <Name> (879)
Dibutyryl-cA

>  <Synonyms> (879)
dbc

>  <Target> (879)
PKA

>  <Form> (879)
sodium sa

>  <CAS> (879)
16980-89-5

>  <URL> (879)
htt

$$$$
8-Bromo-cAMP.cdx
csChFnd80/05202110422D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (880)
880

>  <Formula> (880)
C10H10BrN5NaO6P

>  <MolWeight> (880)
430.083831

>  <Cat> (880)
S7857

>  <Name> (880)
8-Bromo-cAMP

>  <Synonyms> (880)
N/A

>  <Target> (880)
PKA

>  <Form> (880)
sodium sa

>  <CAS> (880)
76939-46-3

>  <URL> (880)
htt

$$$$
BLU9931.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (881)
881

>  <Formula> (881)
C26H22Cl2N4O3

>  <MolWeight> (881)
509.38388

>  <Cat> (881)
S7819

>  <Name> (881)
BLU9931

>  <Synonyms> (881)
N/A

>  <Target> (881)
FGFR

>  <Form> (881)
Free Base

>  <CAS> (881)
1538604-68-0

>  <URL> (881)
htt

$$$$
TP-0903.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (882)
882

>  <Formula> (882)
C24H30ClN7O2S

>  <MolWeight> (882)
516.0587

>  <Cat> (882)
S7846

>  <Name> (882)
TP-0903

>  <Synonyms> (882)
N/A

>  <Target> (882)
TAM Receptor

>  <Form> (882)
Free Base

>  <CAS> (882)
1341200-45-0

>  <URL> (882)
htt

$$$$
FLLL32.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (883)
883

>  <Formula> (883)
C28H32O6

>  <MolWeight> (883)
464.55008

>  <Cat> (883)
S7259

>  <Name> (883)
FLLL32

>  <Synonyms> (883)
N/A

>  <Target> (883)
JAK

>  <Form> (883)
Free Base

>  <CAS> (883)
1226895-15-3

>  <URL> (883)
htt

$$$$
(R)-2-Hydroxyglutarate .cdx
csChFnd80/05202110422D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (884)
884

>  <Formula> (884)
C5H6Na2O5

>  <MolWeight> (884)
192.07768

>  <Cat> (884)
S7873

>  <Name> (884)
Disodium (R)

>  <Synonyms> (884)
N/A

>  <Target> (884)
Others

>  <Form> (884)
disodium 

>  <CAS> (884)
103404-90-6

>  <URL> (884)
htt

$$$$
TUDC (tauroursodeoxycholate).cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (885)
885

>  <Formula> (885)
C26H44NNaO6S

>  <MolWeight> (885)
521.68543

>  <Cat> (885)
S7896

>  <Name> (885)
Sodium Tauro

>  <Synonyms> (885)
N/A

>  <Target> (885)
Antifection

>  <Form> (885)
sodium sa

>  <CAS> (885)
35807-85-3

>  <URL> (885)
htt

$$$$
GDC-0032 (RG-7604).cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (886)
886

>  <Formula> (886)
C24H28N8O2

>  <MolWeight> (886)
460.53152

>  <Cat> (886)
S7103

>  <Name> (886)
GDC-0032

>  <Synonyms> (886)
RG7

>  <Target> (886)
PI3K

>  <Form> (886)
Free Base

>  <CAS> (886)
1282512-48-4

>  <URL> (886)
htt

$$$$
ONO-4059.cdx
csChFnd80/05202110422D

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htt

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htt

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htt

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htt

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htt

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csChFnd80/05202110422D

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>  <Mol_ID> (905)
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Bakuchiol

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(S)

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Immunology & Inflammation related

>  <Form> (905)
free base

>  <CAS> (905)
10309-37-2

>  <URL> (905)
htt

$$$$
AZD1080.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (906)
906

>  <Formula> (906)
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>  <MolWeight> (906)
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>  <Name> (906)
AZD1080

>  <Synonyms> (906)
N/A

>  <Target> (906)
GSK-3

>  <Form> (906)
Free Base

>  <CAS> (906)
612487-72-6

>  <URL> (906)
htt

$$$$
SKI II (SphK-I2).cdx
csChFnd80/05202110422D

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>  <Mol_ID> (907)
907

>  <Formula> (907)
C15H11ClN2OS

>  <MolWeight> (907)
302.77864

>  <Cat> (907)
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>  <Name> (907)
SKI II

>  <Synonyms> (907)
Sph

>  <Target> (907)
S1P Receptor

>  <Form> (907)
Free Base

>  <CAS> (907)
312636-16-1

>  <URL> (907)
htt

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/05202110422D

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>  <Mol_ID> (908)
908

>  <Formula> (908)
C17H15BrF2N4O3

>  <MolWeight> (908)
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>  <Cat> (908)
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>  <Name> (908)
Binimetinib 

>  <Synonyms> (908)
N/A

>  <Target> (908)
MEK

>  <Form> (908)
Free Base

>  <CAS> (908)
606143-89-9

>  <URL> (908)
htt

$$$$
GSK2334470.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (909)
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>  <Formula> (909)
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>  <MolWeight> (909)
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>  <Cat> (909)
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>  <Name> (909)
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>  <Synonyms> (909)
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>  <Target> (909)
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>  <Form> (909)
Free Base

>  <CAS> (909)
1227911-45-6

>  <URL> (909)
htt

$$$$
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csChFnd80/05202110422D

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htt

$$$$
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htt

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/05202110422D

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TGF-beta/Smad

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htt

$$$$
AZD2858.cdx
csChFnd80/05202110422D

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486424-20-8

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htt

$$$$
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csChFnd80/05202110422D

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htt

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Ro 31-8220 mesylate.cdx
csChFnd80/05202110422D

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138489-18-6

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htt

$$$$
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RTA

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I¦ÊB/IKK

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218600-53-4

>  <URL> (916)
htt

$$$$
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csChFnd80/05202110422D

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N/A

>  <Target> (917)
Product Categories
PI3K/Akt/mTORPI3K
PI3K

>  <Form> (917)
Free Base

>  <CAS> (917)
1159824-67-5

>  <URL> (917)
htt

$$$$
SRPIN340.cdx
csChFnd80/05202110422D

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918

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>  <Target> (918)
Others

>  <Form> (918)
Free Base

>  <CAS> (918)
218156-96-8

>  <URL> (918)
htt

$$$$
ETP-46464.cdx
csChFnd80/05202110422D

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mTOR

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htt

$$$$
XL388.cdx
csChFnd80/05202110422D

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htt

$$$$
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EGFR

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>  <URL> (921)
htt

$$$$
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htt

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htt

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htt

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htt

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htt

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phosphatase

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1164470-53-4

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htt

$$$$
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htt

$$$$
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VEGFR

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htt

$$$$
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htt

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htt

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htt

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htt

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csChFnd80/05202110422D

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htt

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htt

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htt

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htt

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htt

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TAM Receptor

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Free Base

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1493764-08-1

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htt

$$$$
PF-543 .cdx
csChFnd80/05202110422D

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975

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C27H31NO4S

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>  <Synonyms> (975)
N/A

>  <Target> (975)
S1P Receptor

>  <Form> (975)
Free Base

>  <CAS> (975)
1415562-82-1

>  <URL> (975)
htt

$$$$
AZD1208.cdx
csChFnd80/05202110422D

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976

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N/A

>  <Target> (976)
Pim

>  <Form> (976)
Free Base

>  <CAS> (976)
1204144-28-4

>  <URL> (976)
htt

$$$$
CX-6258 HCl .cdx
csChFnd80/05202110422D

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C26H25Cl2N3O3

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>  <Name> (977)
CX-6258 HCl

>  <Synonyms> (977)
N/A

>  <Target> (977)
Pim

>  <Form> (977)
Hydrochlo

>  <CAS> (977)
1353859-00-3

>  <URL> (977)
htt

$$$$
EHT 1864.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (978)
978

>  <Formula> (978)
C25H29Cl2F3N2O4S

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>  <Target> (978)
Rho

>  <Form> (978)
Dihydroch

>  <CAS> (978)
754240-09-0

>  <URL> (978)
htt

$$$$
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>  <Mol_ID> (979)
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>  <Target> (979)
c-Met

>  <Form> (979)
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>  <CAS> (979)
1100598-32-0

>  <URL> (979)
htt

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>  <Mol_ID> (980)
980

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>  <Synonyms> (980)
LDC

>  <Target> (980)
CDK

>  <Form> (980)
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>  <CAS> (980)
1073485-20-7

>  <URL> (980)
htt

$$$$
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htt

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htt

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htt

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htt

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htt

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1440898-61-2

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htt

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>  <CAS> (998)
No

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htt

$$$$
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>  <Target> (999)
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>  <CAS> (999)
1034616-18-6

>  <URL> (999)
htt

$$$$
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M  END
>  <Mol_ID> (1,000)
1000

>  <Formula> (1,000)
C17H20ClF4N7O

>  <MolWeight> (1,000)
449.8336128

>  <Cat> (1,000)
S7368

>  <Name> (1,000)
GNE-9605

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
LRRK2

>  <Form> (1,000)
Free Base

>  <CAS> (1,000)
1536200-31-3

>  <URL> (1,000)
htt

$$$$
filgotinib.cdx
csChFnd80/05202110422D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,001)
1001

>  <Formula> (1,001)
C21H23N5O3S

>  <MolWeight> (1,001)
425.50402

>  <Cat> (1,001)
S7605

>  <Name> (1,001)
Filgotinib£¨

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
JAK

>  <Form> (1,001)
Free Base

>  <CAS> (1,001)
1206161-97-8

>  <URL> (1,001)
htt

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,002)
1002

>  <Formula> (1,002)
C15H17ClIN3O3

>  <MolWeight> (1,002)
449.67125

>  <Cat> (1,002)
S7331

>  <Name> (1,002)
K-Ras(G12C) 

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
Rho

>  <Form> (1,002)
Free Base

>  <CAS> (1,002)
1469337-95-8

>  <URL> (1,002)
htt

$$$$
Anacardic Acid.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,003)
1003

>  <Formula> (1,003)
C22H36O3

>  <MolWeight> (1,003)
348.51944

>  <Cat> (1,003)
S7582

>  <Name> (1,003)
Anacardic Ac

>  <Synonyms> (1,003)
6-p

>  <Target> (1,003)
Histone Acetyltransferase

>  <Form> (1,003)
Free Base

>  <CAS> (1,003)
16611-84-0

>  <URL> (1,003)
htt

$$$$
GNF5837.cdx
csChFnd80/05202110422D

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htt

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557795-19-4

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htt

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183321-74-6

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htt

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>  <URL> (1,053)
htt

$$$$
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htt

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LDN-214117.cdx
csChFnd80/05202110422D

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htt

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Purvalanol A.cdx
csChFnd80/05202110422D

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htt

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AZD2932.cdx
csChFnd80/05202110422D

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Anisomycin.cdx
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301836-43-1

>  <URL> (1,070)
htt

$$$$
XL147.cdx
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Free Base

>  <CAS> (1,071)
934526-89-3

>  <URL> (1,071)
htt

$$$$
AT7519 HCl.cdx
csChFnd80/05202110422D

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AT7519 HCl

>  <Synonyms> (1,072)
N/A

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CDK

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Hydrochlo

>  <CAS> (1,072)
902135-91-5

>  <URL> (1,072)
htt

$$$$
ARRY-614.cdx
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>  <Mol_ID> (1,073)
1073

>  <Formula> (1,073)
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>  <MolWeight> (1,073)
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>  <Synonyms> (1,073)
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p38 MAPK

>  <Form> (1,073)
Free Base

>  <CAS> (1,073)
945614-12-0

>  <URL> (1,073)
htt

$$$$
LY3009120.cdx
csChFnd80/05202110422D

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htt

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htt

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htt

$$$$
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csChFnd80/05202110422D

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ROCK

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Hydrochlo

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887375-67-9

>  <URL> (1,095)
htt

$$$$
K03861.cdx
csChFnd80/05202110422D

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853299-07-7

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htt

$$$$
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>  <CAS> (1,097)
839706-07-9

>  <URL> (1,097)
htt

$$$$
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csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,119)
1119

>  <Formula> (1,119)
C42H88N14O36S3

>  <MolWeight> (1,119)
1461.41532

>  <Cat> (1,119)
S4523

>  <Name> (1,119)
Dihydrostrep

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
Antifection

>  <Form> (1,119)
1.5Sulfat

>  <CAS> (1,119)
5490-27-7

>  <URL> (1,119)
htt

$$$$
MRT68921.cdx
csChFnd80/05202110422D

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A   35
xHCl
M  END
>  <Mol_ID> (1,120)
1120

>  <Formula> (1,120)
C26H36N6O2R

>  <MolWeight> (1,120)
464.60304

>  <Cat> (1,120)
S7948

>  <Name> (1,120)
MRT67307 HCl

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
I¦ÊB/IKK

>  <Form> (1,120)
hydrochlo

>  <CAS> (1,120)
1190378-57-4

>  <URL> (1,120)
htt

$$$$
MRT67307.cdx
csChFnd80/05202110422D

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A   33
XHCl
M  END
>  <Mol_ID> (1,121)
1121

>  <Formula> (1,121)
C25H34N6OR

>  <MolWeight> (1,121)
434.57706

>  <Cat> (1,121)
S7949

>  <Name> (1,121)
MRT68921 HCl

>  <Synonyms> (1,121)
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c-Met

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>  <CAS> (1,126)
1173699-31-4

>  <URL> (1,126)
htt

$$$$
NQDI-1.cdx
csChFnd80/05202110422D

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M  END
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1127

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>  <MolWeight> (1,127)
319.31082

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>  <Name> (1,127)
NQDI-1

>  <Synonyms> (1,127)
N/A

>  <Target> (1,127)
Caspase

>  <Form> (1,127)
Free Base

>  <CAS> (1,127)
175026-96-7

>  <URL> (1,127)
htt

$$$$
Kobe0065.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (1,128)
1128

>  <Formula> (1,128)
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>  <Name> (1,128)
Kobe0065

>  <Synonyms> (1,128)
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>  <Target> (1,128)
Rho

>  <Form> (1,128)
Free Base

>  <CAS> (1,128)
436133-68-5

>  <URL> (1,128)
htt

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/05202110422D

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>  <Mol_ID> (1,129)
1129

>  <Formula> (1,129)
C26H26N6O2S

>  <MolWeight> (1,129)
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>  <Cat> (1,129)
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>  <Name> (1,129)
Olmutinib (H

>  <Synonyms> (1,129)
BI 

>  <Target> (1,129)
EGFR

>  <Form> (1,129)
Free Base

>  <CAS> (1,129)
1353550-13-6

>  <URL> (1,129)
htt

$$$$
5-Iodotubercidin.cdx
csChFnd80/05202110422D

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htt

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csChFnd80/05202110422D

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21590

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htt

$$$$
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csChFnd80/05202110422D

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Cep

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38821-53-3

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htt

$$$$
7,8-Dihydroxyflavone.cdx
csChFnd80/05202110422D

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38183-03-8

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htt

$$$$
MLR-1023.cdx
csChFnd80/05202110422D

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41964-07-2

>  <URL> (1,134)
htt

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csChFnd80/05202110422D

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htt

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Selonsertib (GS-4997).cdx
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$$$$
FRAX486.cdx
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htt

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htt

$$$$
ZINC00881524 (ROCK inhibitor).cdx
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557782-81-7

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htt

$$$$
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52029-86-4

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htt

$$$$
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htt

$$$$
THZ1.cdx
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htt

$$$$
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1254036-71-9

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htt

$$$$
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csChFnd80/05202110422D

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24276-84-4

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htt

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S49076.cdx
csChFnd80/05202110422D

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htt

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htt

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htt

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htt

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htt

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1184843-57-9

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htt

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1849590-01-7

>  <URL> (1,182)
htt

$$$$
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Serine Protease

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hydrochlo

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256476-36-5

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htt

$$$$
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htt

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$$$$
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htt

$$$$
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csChFnd80/05202110422D

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htt

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MSC2530818.cdx
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$$$$
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3BDO.cdx
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htt

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TPX-0005.cdx
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M  END
>  <Mol_ID> (1,225)
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>  <Formula> (1,225)
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>  <Name> (1,225)
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>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
PI3K¦Á 

>  <Form> (1,225)
Free base

>  <CAS> (1,225)
1268454-23-4

>  <URL> (1,225)
htt

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,226)
1226

>  <Formula> (1,226)
C2HCl2NaO2

>  <MolWeight> (1,226)
150.92391

>  <Cat> (1,226)
S8615

>  <Name> (1,226)
Sodium dichl

>  <Synonyms> (1,226)
bic

>  <Target> (1,226)
PDK

>  <Form> (1,226)
sodium sa

>  <CAS> (1,226)
2156-56-1

>  <URL> (1,226)
htt

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/05202110422D

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 31  9  1  1  0  0  0
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M  END
>  <Mol_ID> (1,227)
1227

>  <Formula> (1,227)
C33H44FN5O3

>  <MolWeight> (1,227)
577.7325632

>  <Cat> (1,227)
S8511

>  <Name> (1,227)
Belizatinib 

>  <Synonyms> (1,227)
N/A

>  <Target> (1,227)
ALK,TRK

>  <Form> (1,227)
free base

>  <CAS> (1,227)
1357920-84-3

>  <URL> (1,227)
htt

$$$$
Autophinib.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,228)
1228

>  <Formula> (1,228)
C14H11ClN6O3

>  <MolWeight> (1,228)
346.72854

>  <Cat> (1,228)
S8596

>  <Name> (1,228)
Autophinib

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
autophagy

>  <Form> (1,228)
free base

>  <CAS> (1,228)
1644443-47-9

>  <URL> (1,228)
htt

$$$$
PRN1371.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,229)
1229

>  <Formula> (1,229)
C26H30Cl2N6O4

>  <MolWeight> (1,229)
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>  <Cat> (1,229)
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>  <Name> (1,229)
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>  <Synonyms> (1,229)
N/A

>  <Target> (1,229)
FGFR1,FGFR2,FGFR3,CSF1R,FGFR4

>  <Form> (1,229)
free base

>  <CAS> (1,229)
1802929-43-6

>  <URL> (1,229)
htt

$$$$

csChFnd80/05202110422D

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htt

$$$$
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htt

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htt

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$$$$
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94164-88-2

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htt

$$$$
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$$$$
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htt

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htt

$$$$
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csChFnd80/05202110422D

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free base

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htt

$$$$
Takinib.cdx
csChFnd80/05202110422D

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htt

$$$$
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csChFnd80/05202110422D

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htt

$$$$
IPI-3063.cdx
csChFnd80/05202110422D

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free base

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htt

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/05202110422D

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sodium sa

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66170-10-3

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htt

$$$$
PF-06651600.cdx
csChFnd80/05202110422D

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JAK3 

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free base

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1792180-81-4

>  <URL> (1,253)
htt

$$$$
2-D08.cdx
csChFnd80/05202110422D

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c-RET,SUMO,TAM Receptor,IL Receptor,PI3K,VEG

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free base

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144707-18-6

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htt

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/05202110422D

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S5045 Nomilin.cdx
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S5077 Regorafenib Monohydrate.cdx
csChFnd80/05202110422D

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csChFnd80/05202110422D

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htt

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htt

$$$$
kira6.cdx
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htt

$$$$
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>  <URL> (1,262)
htt

$$$$
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1231889-53-4

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htt

$$$$
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csChFnd80/05202110422D

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NAMPT,PAK

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free base

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1643913-93-2

>  <URL> (1,264)
htt

$$$$
Asciminib(ABL001).cdx
csChFnd80/05202110422D

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free base

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1492952-76-7

>  <URL> (1,265)
htt

$$$$
Tenalisib (RP6530).cdx
csChFnd80/05202110422D

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htt

$$$$
AS1517499.cdx
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free base

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919486-40-1

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htt

$$$$
RAF709.cdx
csChFnd80/05202110422D

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free base

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1628838-42-5

>  <URL> (1,268)
htt

$$$$
S5232 Alectinib hydrochloride.cdx
csChFnd80/05202110422D

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ALK

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hydrochlo

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1256589-74-8

>  <URL> (1,269)
htt

$$$$
S5060 Metadoxine.cdx
csChFnd80/05202110422D

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>  <Synonyms> (1,270)
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>  <Target> (1,270)
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>  <Form> (1,270)
salt

>  <CAS> (1,270)
74536-44-0

>  <URL> (1,270)
htt

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/05202110422D

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free base

>  <CAS> (1,276)
2089288-03-7

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htt

$$$$
S5098 Gefitinib hydrochloride.cdx
csChFnd80/05202110422D

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ZD1

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EGFR

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hydrochlo

>  <CAS> (1,277)
184475-55-6

>  <URL> (1,277)
htt

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/05202110422D

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Calcium Channel,Ras

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hydrochlo

>  <CAS> (1,278)
13636-18-5

>  <URL> (1,278)
htt

$$$$
GSK'963.cdx
csChFnd80/05202110422D

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free base

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2049868-46-2

>  <URL> (1,279)
htt

$$$$
bpV (HOpic).cdx
csChFnd80/05202110422D

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>  <Formula> (1,280)
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>  <Synonyms> (1,280)
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PTEN

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potassium

>  <CAS> (1,280)
722494-26-0

>  <URL> (1,280)
htt

$$$$
Anlotinib (AL3818).cdx
csChFnd80/05202110422D

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M  END
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1286

>  <Formula> (1,286)
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>  <MolWeight> (1,286)
615.6680696

>  <Cat> (1,286)
S5069

>  <Name> (1,286)
Dabrafenib M

>  <Synonyms> (1,286)
GSK

>  <Target> (1,286)
Raf

>  <Form> (1,286)
mesylate

>  <CAS> (1,286)
1195768-06-9

>  <URL> (1,286)
htt

$$$$
S5234 Nintedanib Ethanesulfonate Salt.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (1,287)
1287

>  <Formula> (1,287)
C33H39N5O7S

>  <MolWeight> (1,287)
649.75706

>  <Cat> (1,287)
S5234

>  <Name> (1,287)
Nintedanib E

>  <Synonyms> (1,287)
Int

>  <Target> (1,287)
VEGFR,FGFR,PDGFR

>  <Form> (1,287)
ethanesul

>  <CAS> (1,287)
656247-18-6

>  <URL> (1,287)
htt

$$$$
S5242 Cediranib Maleate.cdx
csChFnd80/05202110422D

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1288

>  <Formula> (1,288)
C29H31FN4O7

>  <MolWeight> (1,288)
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>  <Cat> (1,288)
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>  <Name> (1,288)
Cediranib Ma

>  <Synonyms> (1,288)
AZD

>  <Target> (1,288)
VEGFR

>  <Form> (1,288)
maleate

>  <CAS> (1,288)
 857036-77-2

>  <URL> (1,288)
htt

$$$$
S5383 Erucic acid.cdx
csChFnd80/05202110422D

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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,289)
1289

>  <Formula> (1,289)
C22H42O2

>  <MolWeight> (1,289)
338.56768

>  <Cat> (1,289)
S5383

>  <Name> (1,289)
Erucic acid

>  <Synonyms> (1,289)
cis

>  <Target> (1,289)
Others

>  <Form> (1,289)
free base

>  <CAS> (1,289)
112-86-7

>  <URL> (1,289)
htt

$$$$
S5426 Bromopyruvic acid.cdx
csChFnd80/05202110422D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,290)
1290

>  <Formula> (1,290)
C3H3BrO3

>  <MolWeight> (1,290)
166.95812

>  <Cat> (1,290)
S5426

>  <Name> (1,290)
Bromopyruvic

>  <Synonyms> (1,290)
3-B

>  <Target> (1,290)
Others

>  <Form> (1,290)
free base

>  <CAS> (1,290)
1113-59-3

>  <URL> (1,290)
htt

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/05202110422D

 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> (1,291)
1291

>  <Formula> (1,291)
C8H6BrN

>  <MolWeight> (1,291)
196.04394

>  <Cat> (1,291)
S5439

>  <Name> (1,291)
5-Bromoindol

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
GSK-3

>  <Form> (1,291)
free base

>  <CAS> (1,291)
10075-50-0

>  <URL> (1,291)
htt

$$$$
S5451 Ferulic acid methylester.cdx
csChFnd80/05202110422D

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.5219    1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3094    2.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0861    1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6610    1.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4425    2.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    3.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6629    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5219    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    2.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    1.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378    4.2867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9022    1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
 12 13  1  0  0  0  0
  6 12  1  0  0  0  0
  7 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,292)
1292

>  <Formula> (1,292)
C11H12O4

>  <MolWeight> (1,292)
208.21058

>  <Cat> (1,292)
S5451

>  <Name> (1,292)
Ferulic acid

>  <Synonyms> (1,292)
Met

>  <Target> (1,292)
Immunology & Inflammation related

>  <Form> (1,292)
free base

>  <CAS> (1,292)
149567

>  <URL> (1,292)
htt

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/05202110422D

 26 30  0  0  0  0  0  0  0  0999 V2000
    5.7157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.6373    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.8157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6157    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852    1.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    5.2983    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  2  0  0  0  0
  8 15  2  0  0  0  0
  9 11  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,293)
1293

>  <Formula> (1,293)
C20H14ClNO4

>  <MolWeight> (1,293)
367.78246

>  <Cat> (1,293)
S5452

>  <Name> (1,293)
Sanguinarine

>  <Synonyms> (1,293)
N/A

>  <Target> (1,293)
phosphatase

>  <Form> (1,293)
chloride 

>  <CAS> (1,293)
5578-73-4

>  <URL> (1,293)
htt

$$$$
S5454 Saikosaponin D.cdx
csChFnd80/05202110422D

 60 67  0  0  0  0  0  0  0  0999 V2000
    1.2167    4.1933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2167    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4269    2.0966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.7908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    4.9015    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8429    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2668    2.0888    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4745    2.7842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4801    4.1841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2673    4.8862    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0491    4.1881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6808    2.0896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    2.7908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1046    2.0888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1052    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8871    4.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3178    4.1841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3070    2.7913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5011    2.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7137    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5227    4.8751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7241    4.1635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7523    6.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5316    6.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537    6.2395    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9338    4.8373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1318    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3568    4.8031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1711    6.9274    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3735    6.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5985    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6319    8.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4295    9.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    4.8891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    6.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031    2.0877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4269    0.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2651    0.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4626    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2931    1.3954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5115    3.4778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9199    3.4353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5613    4.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2705    6.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3074    5.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7156    5.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7768    5.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.1677    7.9333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2160    9.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    9.7181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1031    0.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8920    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 13  1  0  0  0  0
 10 14  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  1  0  0  0  0
  4  7  1  0  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
  1  2  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
 31 36  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
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 15 18  1  0  0  0  0
 13 37  1  1  0  0  0
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free base

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htt

$$$$
S5457 Curculigoside.cdx
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85643-19-2

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htt

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61276-17-3

>  <URL> (1,297)
htt

$$$$
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M  END
>  <Mol_ID> (1,298)
1298

>  <Formula> (1,298)
C20H16O5

>  <MolWeight> (1,298)
336.33804

>  <Cat> (1,298)
S5464

>  <Name> (1,298)
Psoralidin

>  <Synonyms> (1,298)
N/A

>  <Target> (1,298)
Estrogen/progestogen Receptor

>  <Form> (1,298)
free base

>  <CAS> (1,298)
18642-23-4

>  <URL> (1,298)
htt

$$$$
S5468 KaeMpferol-3-O-glucorhaMnoside.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,299)
1299

>  <Formula> (1,299)
C27H30O15

>  <MolWeight> (1,299)
594.5181

>  <Cat> (1,299)
S5468

>  <Name> (1,299)
Kaempferol-3

>  <Synonyms> (1,299)
Kae

>  <Target> (1,299)
Others

>  <Form> (1,299)
salt

>  <CAS> (1,299)
40437-72-7

>  <URL> (1,299)
htt

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,300)
1300

>  <Formula> (1,300)
C14H8O9

>  <MolWeight> (1,300)
320.20792

>  <Cat> (1,300)
S5516

>  <Name> (1,300)
Ellagic Acid

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
Casein Kinase

>  <Form> (1,300)
monohydra

>  <CAS> (1,300)
 314041-08-2

>  <URL> (1,300)
htt

$$$$
S5529 Galangin.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,301)
1301

>  <Formula> (1,301)
C15H10O5

>  <MolWeight> (1,301)
270.2369

>  <Cat> (1,301)
S5529

>  <Name> (1,301)
Galangin

>  <Synonyms> (1,301)
3,5

>  <Target> (1,301)
P450 (e.g. CYP17)

>  <Form> (1,301)
free base

>  <CAS> (1,301)
548-83-4

>  <URL> (1,301)
htt

$$$$
S5534 Cinchocaine.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,302)
1302

>  <Formula> (1,302)
C20H29N3O2

>  <MolWeight> (1,302)
343.46316

>  <Cat> (1,302)
S5534

>  <Name> (1,302)
Cinchocaine

>  <Synonyms> (1,302)
Dib

>  <Target> (1,302)
Others

>  <Form> (1,302)
free base

>  <CAS> (1,302)
85-79-0

>  <URL> (1,302)
htt

$$$$
S5545 DL-Serine.cdx
csChFnd80/05202110422D

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>  <Synonyms> (1,307)
N/A

>  <Target> (1,307)
Src,p38 MAPK

>  <Form> (1,307)
free base

>  <CAS> (1,307)
903564-48-7

>  <URL> (1,307)
htt

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,308)
1308

>  <Formula> (1,308)
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>  <MolWeight> (1,308)
565.9767296

>  <Cat> (1,308)
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>  <Name> (1,308)
Nilotinib hy

>  <Synonyms> (1,308)
AMN

>  <Target> (1,308)
Bcr-Abl

>  <Form> (1,308)
hydrochlo

>  <CAS> (1,308)
923288-95-3

>  <URL> (1,308)
htt

$$$$
S5240 lenvatinib Mesylate.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,309)
1309

>  <Formula> (1,309)
C22H23ClN4O7S

>  <MolWeight> (1,309)
522.95862

>  <Cat> (1,309)
S5240

>  <Name> (1,309)
lenvatinib M

>  <Synonyms> (1,309)
N/A

>  <Target> (1,309)
VEGFR

>  <Form> (1,309)
Mesylate

>  <CAS> (1,309)
 857890-39-2

>  <URL> (1,309)
htt

$$$$
S5265 TBB.cdx
csChFnd80/05202110422D

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>  <Mol_ID> (1,310)
1310

>  <Formula> (1,310)
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>  <MolWeight> (1,310)
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>  <Name> (1,310)
TBB

>  <Synonyms> (1,310)
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>  <Target> (1,310)
Casein Kinase

>  <CAS> (1,310)
17374-26-4

>  <URL> (1,310)
htt

$$$$
S5272 Toceranib phosphate.cdx
csChFnd80/05202110422D

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phosphate

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874819-74-6

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htt

$$$$
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free base

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2095393-15-8

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htt

$$$$
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1489389-18-5

>  <URL> (1,313)
htt

$$$$
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csChFnd80/05202110422D

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2942-42-9

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htt

$$$$
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S8724

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Lazertinib (

>  <Form> (1,315)
free base

>  <CAS> (1,315)
1903008-80-9

$$$$
S5550 Ethyl gallate.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,316)
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C9H10O5

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S5550

>  <Name> (1,316)
Ethyl gallat

>  <Synonyms> (1,316)
N/A

>  <Target> (1,316)
NF-¦ÊB

>  <CAS> (1,316)
831-61-8

>  <URL> (1,316)
htt

$$$$
S9361 Coumarin-3-carboxylic acid.cdx
csChFnd80/05202110422D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
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1317

>  <Formula> (1,317)
C10H6O4

>  <MolWeight> (1,317)
190.15224

>  <Cat> (1,317)
S9361

>  <Name> (1,317)
Coumarin-3-c

>  <Form> (1,317)
free base

>  <CAS> (1,317)
531-81-7

$$$$
S9366 5'-Adenylic acid.cdx
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,318)
1318

>  <Formula> (1,318)
C10H14N5O7P

>  <MolWeight> (1,318)
347.221221

>  <Cat> (1,318)
S9366

>  <Name> (1,318)
5'-Adenylic 

>  <Form> (1,318)
free base

>  <CAS> (1,318)
61-19-8

$$$$
S9374 2',5'-Dihydroxyacetophenone.cdx
csChFnd80/05202110422D

 11 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,319)
1319

>  <Formula> (1,319)
C8H8O3

>  <MolWeight> (1,319)
152.14732

>  <Cat> (1,319)
S9374

>  <Name> (1,319)
2',5'-Dihydr

>  <CAS> (1,319)
490-78-8

$$$$
S9384 Sophocarpine Monohydrate.cdx
csChFnd80/05202110422D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,320)
1320

>  <Formula> (1,320)
C15H24N2O2

>  <MolWeight> (1,320)
264.36326

>  <Cat> (1,320)
S9384

>  <Name> (1,320)
Sophocarpine

>  <Form> (1,320)
free base

>  <CAS> (1,320)
 145572-44-7

$$$$
S9393 (4S)-4-Hydroxy-L-isoleucine.cdx
csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,321)
1321

>  <Formula> (1,321)
C6H13NO3

>  <MolWeight> (1,321)
147.17232

>  <Cat> (1,321)
S9393

>  <Name> (1,321)
(4S)-4-Hydro

>  <Form> (1,321)
free base

>  <CAS> (1,321)
55399-93-4

$$$$
S9406 Sauchinone.cdx
csChFnd80/05202110422D

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S9417 Homoplantaginin.cdx
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S9430 Tomatidine.cdx
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htt

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csChFnd80/05202110422D

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211555-05-4

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htt

$$$$

csChFnd80/05202110422D

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htt

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1234356-69-4

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htt

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2230724-66-8

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htt

$$$$

csChFnd80/05202110422D

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ALK

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hydrochlo

>  <CAS> (1,341)
864374-00-5

>  <URL> (1,341)
htt

$$$$

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>  <CAS> (1,342)
2138861-99-9

>  <URL> (1,342)
htt

$$$$

csChFnd80/05202110422D

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CDK

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>  <CAS> (1,343)
1414943-88-6

>  <URL> (1,343)
htt

$$$$

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ATM/ATR

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Free Base

>  <CAS> (1,344)
No CAS

>  <URL> (1,344)
htt

$$$$

csChFnd80/05202110422D

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>  <Synonyms> (1,345)
N/A

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PI3K

>  <Form> (1,345)
Free Base

>  <CAS> (1,345)
1225037-39-7

>  <URL> (1,345)
htt

$$$$

csChFnd80/05202110422D

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Avitinib (AC

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N/A

>  <Target> (1,346)
EGFR

>  <Form> (1,346)
Free Base

>  <CAS> (1,346)
1557267-42-1

>  <URL> (1,346)
htt

$$$$

csChFnd80/05202110422D

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1347

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LXH254

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
Raf

>  <Form> (1,347)
Free Base

>  <CAS> (1,347)
1800398-38-2

>  <URL> (1,347)
htt

$$$$

csChFnd80/05202110422D

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78214-33-2

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S9031 Gambogenic acid.cdx
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S9120 Scutellarein.cdx
csChFnd80/05202110422D

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$$$$
S9127 Carnosol.cdx
csChFnd80/05202110422D

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5957-80-2

$$$$
S9141 Berbamine.cdx
csChFnd80/05202110422D

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>  <CAS> (1,370)
478-61-5

$$$$
S9152 Epiberberine.cdx
csChFnd80/05202110422D

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>  <CAS> (1,371)
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$$$$
S9159 Momordin Ic.cdx
csChFnd80/05202110422D

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136831-48-6

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htt

$$$$
S9359 Anthraquinone-2-carboxylic Acid.cdx
csChFnd80/05202110422D

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free base

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117-78-2

$$$$
S9376 Benzylacetone.cdx
csChFnd80/05202110422D

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$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/05202110422D

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>  <Synonyms> (1,396)
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ditosylat

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388082-78-8

>  <URL> (1,396)
htt

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/05202110422D

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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  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 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
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 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (1,401)
1401

>  <Formula> (1,401)
C29H37N7O5S

>  <MolWeight> (1,401)
595.71298

>  <Cat> (1,401)
S5078

>  <Name> (1,401)
Osimertinib 

>  <Synonyms> (1,401)
AZD

>  <Target> (1,401)
EGFR

>  <Form> (1,401)
mesylate

>  <CAS> (1,401)
1421373-66-1

>  <URL> (1,401)
htt

$$$$

csChFnd80/05202110422D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 14 10  1  0  0  0  0
  6  7  2  0  0  0  0
 14 15  1  0  0  0  0
  7 12  1  0  0  0  0
 15 16  2  0  0  0  0
  1  2  1  0  0  0  0
 15 17  1  0  0  0  0
 11  8  1  0  0  0  0
 17 18  1  0  0  0  0
  3  4  1  0  0  0  0
 18 19  2  0  0  0  0
  8  9  2  0  0  0  0
 19 20  1  0  0  0  0
  9  6  1  0  0  0  0
 20 21  2  0  0  0  0
 11 12  2  0  0  0  0
 21 22  1  0  0  0  0
  4  5  2  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
  5  1  1  0  0  0  0
 23 24  1  0  0  0  0
  2  3  2  0  0  0  0
 22 25  1  0  0  0  0
  1  6  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,402)
1402

>  <Formula> (1,402)
C19H17N4NaO2S

>  <MolWeight> (1,402)
388.41865

>  <Cat> (1,402)
S5502

>  <Name> (1,402)
Ilaprazole s

>  <Synonyms> (1,402)
IY-

>  <Target> (1,402)
Proton Pump

>  <Form> (1,402)
Sodium Sa

>  <CAS> (1,402)
172152-50-0

>  <URL> (1,402)
htt

$$$$

csChFnd80/05202110422D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  6 10  2  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,403)
1403

>  <Formula> (1,403)
C16H21Cl2N3

>  <MolWeight> (1,403)
326.26404

>  <Cat> (1,403)
S5670

>  <Name> (1,403)
Chloropyrami

>  <Synonyms> (1,403)
Hal

>  <Target> (1,403)
Histamine Receptor

>  <Form> (1,403)
hydrochlo

>  <CAS> (1,403)
6170-42-9

>  <URL> (1,403)
htt

$$$$

csChFnd80/05202110422D

 31 33  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 18  1  0  0  0  0
 20 21  2  0  0  0  0
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 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
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  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,404)
1404

>  <Formula> (1,404)
C16H20N7O6PS

>  <MolWeight> (1,404)
469.412061

>  <Cat> (1,404)
S5754

>  <Name> (1,404)
Baricitinib 

>  <Synonyms> (1,404)
INC

>  <Target> (1,404)
JAK

>  <Form> (1,404)
phosphate

>  <CAS> (1,404)
1187595-84-1

>  <URL> (1,404)
htt

$$$$

csChFnd80/05202110422D

 28 31  0  0  0  0  0  0  0  0999 V2000
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htt

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htt

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htt

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htt

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htt

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55033-90-4

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htt

$$$$

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htt

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24211-30-1

>  <URL> (1,416)
htt

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1418

>  <Formula> (1,418)
C7H9N5

>  <MolWeight> (1,418)
163.17986

>  <Cat> (1,418)
S6088

>  <Name> (1,418)
6-(Dimethyla

>  <Synonyms> (1,418)
N,N

>  <Target> (1,418)
Serine/threonin kina

>  <Form> (1,418)
free base

>  <CAS> (1,418)
938-55-6

>  <URL> (1,418)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,419)
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>  <Formula> (1,419)
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>  <MolWeight> (1,419)
182.1733

>  <Cat> (1,419)
S6338

>  <Name> (1,419)
3,4-Dihydrox

>  <Synonyms> (1,419)
Dih

>  <Target> (1,419)
Others

>  <Form> (1,419)
free base

>  <CAS> (1,419)
1078-61-1

>  <URL> (1,419)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,420)
1420

>  <Formula> (1,420)
C25H23FN8O2S2

>  <MolWeight> (1,420)
550.6309232

>  <Cat> (1,420)
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>  <Name> (1,420)
SAR125844

>  <Synonyms> (1,420)
N/A

>  <Target> (1,420)
c-Met

>  <Form> (1,420)
free base

>  <CAS> (1,420)
1116743-46-4

>  <URL> (1,420)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,421)
1421

>  <Formula> (1,421)
C27H25N5O2

>  <MolWeight> (1,421)
451.5197

>  <Cat> (1,421)
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>  <Name> (1,421)
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>  <Synonyms> (1,421)
N/A

>  <Target> (1,421)
Raf

>  <Form> (1,421)
free base

>  <CAS> (1,421)
942507-42-8

>  <URL> (1,421)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,422)
1422

>  <Formula> (1,422)
C14H21N5O2S

>  <MolWeight> (1,422)
323.41384

>  <Cat> (1,422)
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>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
JAK

>  <Form> (1,422)
free base

>  <CAS> (1,422)
1622902-68-4

>  <URL> (1,422)
htt

$$$$

csChFnd80/05202110422D

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htt

$$$$

csChFnd80/05202110422D

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free base

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htt

$$$$

csChFnd80/05202110422D

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free base

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1462249-75-7

>  <URL> (1,425)
htt

$$$$

csChFnd80/05202110422D

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>  <Synonyms> (1,426)
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>  <CAS> (1,426)
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>  <URL> (1,426)
htt

$$$$

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Ani

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free base

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2437-29-8

>  <URL> (1,427)
htt

$$$$

csChFnd80/05202110422D

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1428

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>  <MolWeight> (1,428)
384.83286

>  <Cat> (1,428)
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>  <Synonyms> (1,428)
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>  <Target> (1,428)
PKC

>  <Form> (1,428)
Chloride

>  <CAS> (1,428)
3895-92-9

>  <URL> (1,428)
htt

$$$$

csChFnd80/05202110422D

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1429

>  <Formula> (1,429)
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>  <Synonyms> (1,429)
N/A

>  <Target> (1,429)
FGFR

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>  <CAS> (1,429)
872511-34-7

>  <URL> (1,429)
htt

$$$$

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htt

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1899921-05-1

>  <URL> (1,431)
htt

$$$$

csChFnd80/05202110422D

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1627856-64-7

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htt

$$$$

csChFnd80/05202110422D

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htt

$$$$

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541550-19-0

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htt

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htt

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htt

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1628607-64-6

>  <URL> (1,446)
htt

$$$$

csChFnd80/05202110422D

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Trk receptor

>  <Form> (1,447)
Free Base

>  <CAS> (1,447)
2095616-82-1

>  <URL> (1,447)
htt

$$$$

csChFnd80/05202110422D

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Zanubrutinib

>  <Synonyms> (1,448)
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BTK

>  <Form> (1,448)
Free Base

>  <CAS> (1,448)
1691249-45-2

>  <URL> (1,448)
htt

$$$$

csChFnd80/05202110422D

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Autophagy

>  <Form> (1,449)
Free Base

>  <CAS> (1,449)
no cas

>  <URL> (1,449)
htt

$$$$

csChFnd80/05202110422D

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htt

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htt

$$$$

csChFnd80/05202110422D

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free base

>  <CAS> (1,462)
333745-53-2

>  <URL> (1,462)
htt

$$$$

csChFnd80/05202110422D

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1365267-27-1

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htt

$$$$

csChFnd80/05202110422D

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168425-64-7

>  <URL> (1,464)
htt

$$$$

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KN-92 phosph

>  <Synonyms> (1,465)
N/A

>  <Target> (1,465)
Others

>  <Form> (1,465)
phosphate

>  <CAS> (1,465)
1135280-28-2

>  <URL> (1,465)
htt

$$$$

csChFnd80/05202110422D

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1466

>  <Formula> (1,466)
C24H26N4O3S

>  <MolWeight> (1,466)
450.55324

>  <Cat> (1,466)
S6508

>  <Name> (1,466)
Mitapivat

>  <Synonyms> (1,466)
AG-

>  <Target> (1,466)
PKM

>  <Form> (1,466)
free base

>  <CAS> (1,466)
1260075-17-9

>  <URL> (1,466)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,467)
1467

>  <Formula> (1,467)
C16H12N2O3

>  <MolWeight> (1,467)
280.27808

>  <Cat> (1,467)
S6509

>  <Name> (1,467)
AG 494

>  <Synonyms> (1,467)
N/A

>  <Target> (1,467)
EGFR

>  <Form> (1,467)
free base

>  <CAS> (1,467)
133550-35-3

>  <URL> (1,467)
htt

$$$$

csChFnd80/05202110422D

 22 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,468)
1468

>  <Formula> (1,468)
C14H19Cl2N3O2S

>  <MolWeight> (1,468)
364.29056

>  <Cat> (1,468)
S6510

>  <Name> (1,468)
Iso-H7 dihyd

>  <Synonyms> (1,468)
N/A

>  <Target> (1,468)
Phosphorylase

>  <Form> (1,468)
dihydroch

>  <CAS> (1,468)
140663-38-3

>  <URL> (1,468)
htt

$$$$

csChFnd80/05202110422D

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1469

>  <Formula> (1,469)
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>  <MolWeight> (1,469)
221.29546

>  <Cat> (1,469)
S6511

>  <Name> (1,469)
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>  <Synonyms> (1,469)
N/A

>  <Target> (1,469)
TNF-alpha

>  <Form> (1,469)
free base

>  <CAS> (1,469)
1956370-21-0

>  <URL> (1,469)
htt

$$$$

csChFnd80/05202110422D

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htt

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htt

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454453-49-7

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htt

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csChFnd80/05202110422D

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htt

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1350622-33-1

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htt

$$$$

csChFnd80/05202110422D

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>  <Formula> (1,484)
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free base

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>  <URL> (1,484)
htt

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htt

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csChFnd80/05202110422D

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free base

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329907-28-0

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htt

$$$$

csChFnd80/05202110422D

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free base

>  <CAS> (1,487)
199986-75-9

>  <URL> (1,487)
htt

$$$$

csChFnd80/05202110422D

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>  <CAS> (1,488)
950736-05-7

>  <URL> (1,488)
htt

$$$$

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htt

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csChFnd80/05202110422D

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1227948-02-8

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htt

$$$$

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947914-18-3

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htt

$$$$

csChFnd80/05202110422D

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free base

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179248-59-0

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htt

$$$$

csChFnd80/05202110422D

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PI4K

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free base

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1513879-21-4

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htt

$$$$

csChFnd80/05202110422D

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free base

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htt

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htt

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2328073-61-4

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htt

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csChFnd80/05202110422D

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free base

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848344-36-5

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htt

$$$$

csChFnd80/05202110422D

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free base

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2361659-62-1

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htt

$$$$

csChFnd80/05202110422D

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>  <Synonyms> (1,505)
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free base

>  <CAS> (1,505)
1628256-23-4

>  <URL> (1,505)
htt

$$$$

csChFnd80/05202110422D

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M  END
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1506

>  <Formula> (1,506)
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>  <MolWeight> (1,506)
634.3572632

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Ensartinib (

>  <Synonyms> (1,506)
N/A

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ALK

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Dihydroch

>  <CAS> (1,506)
2137030-98-7

>  <URL> (1,506)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,507)
1507

>  <Formula> (1,507)
C21H16F3N3O3

>  <MolWeight> (1,507)
415.3652496

>  <Cat> (1,507)
S6526

>  <Name> (1,507)
SKLB 610

>  <Synonyms> (1,507)
N/A

>  <Target> (1,507)
VEGFR

>  <Form> (1,507)
Free Base

>  <CAS> (1,507)
1125780-41-7

>  <URL> (1,507)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,508)
1508

>  <Formula> (1,508)
C17H16BrN3O2

>  <MolWeight> (1,508)
374.23184

>  <Cat> (1,508)
S6530

>  <Name> (1,508)
EBE-A22

>  <Synonyms> (1,508)
N/A

>  <Target> (1,508)
Others

>  <Form> (1,508)
Free Base

>  <CAS> (1,508)
229476-53-3

>  <URL> (1,508)
htt

$$$$

csChFnd80/05202110422D

 25 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,509)
1509

>  <Formula> (1,509)
C18H24N6O

>  <MolWeight> (1,509)
340.42276

>  <Cat> (1,509)
S6531

>  <Name> (1,509)
Bohemine

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
CDK

>  <Form> (1,509)
Free Base

>  <CAS> (1,509)
189232-42-6

>  <URL> (1,509)
htt

$$$$

csChFnd80/05202110422D

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1191911-27-9

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htt

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212779-48-1

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htt

$$$$

csChFnd80/05202110422D

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153436-54-5

>  <URL> (1,513)
htt

$$$$

csChFnd80/05202110422D

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108237-91-8

>  <URL> (1,514)
htt

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csChFnd80/05202110422D

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118409-62-4

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htt

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csChFnd80/05202110422D

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509093-47-4

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htt

$$$$

csChFnd80/05202110422D

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1188890-28-9

>  <URL> (1,518)
htt

$$$$

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htt

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htt

$$$$

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PKC

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Free Base

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1874276-76-2

>  <URL> (1,525)
htt

$$$$

csChFnd80/05202110422D

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1526

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371.43504

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N/A

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BTK

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Free Base

>  <CAS> (1,526)
330786-25-9

>  <URL> (1,526)
htt

$$$$

csChFnd80/05202110422D

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1527

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N/A

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CDK

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Hydrochlo

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1704801-24-0

>  <URL> (1,527)
htt

$$$$

csChFnd80/05202110422D

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JNK

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Hydrochlo

>  <CAS> (1,528)
1438391-30-0

>  <URL> (1,528)
htt

$$$$

csChFnd80/05202110422D

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htt

$$$$

csChFnd80/05202110422D

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929007-72-7

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htt

$$$$

csChFnd80/05202110422D

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38136-70-8

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htt

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csChFnd80/05202110422D

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>  <CAS> (1,532)
429653-73-6

>  <URL> (1,532)
htt

$$$$

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htt

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htt

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csChFnd80/05202110422D

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htt

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>  <CAS> (1,541)
1303420-67-8

>  <URL> (1,541)
htt

$$$$

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>  <Formula> (1,542)
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>  <MolWeight> (1,542)
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>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
FLT3

>  <Form> (1,542)
Free Base

>  <CAS> (1,542)
1472797-69-5

>  <URL> (1,542)
htt

$$$$

csChFnd80/05202110422D

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ROS

>  <Form> (1,543)
Free Base

>  <CAS> (1,543)
1505515-69-4

>  <URL> (1,543)
htt

$$$$

csChFnd80/05202110422D

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1544

>  <Formula> (1,544)
C21H25N3O4

>  <MolWeight> (1,544)
383.4409

>  <Cat> (1,544)
S2184

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>  <Synonyms> (1,544)
WD-

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Histone Methyltransferase

>  <Form> (1,544)
Free Base

>  <CAS> (1,544)
890190-22-4

>  <URL> (1,544)
htt

$$$$

csChFnd80/05202110422D

 21 20  0  0  0  0  0  0  0  0999 V2000
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$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,550)
1550

>  <Formula> (1,550)
C25H20N4O2

>  <MolWeight> (1,550)
408.4519

>  <Cat> (1,550)
S6658

>  <Name> (1,550)
ETC-206

>  <Synonyms> (1,550)
ETC

>  <Target> (1,550)
MNK

>  <Form> (1,550)
Free Base

>  <CAS> (1,550)
1464151-33-4

>  <URL> (1,550)
htt

$$$$

csChFnd80/05202110422D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,551)
1551

>  <Formula> (1,551)
C26H21Cl3N8

>  <MolWeight> (1,551)
551.85754

>  <Cat> (1,551)
S6660

>  <Name> (1,551)
B-Raf inhibi

>  <Synonyms> (1,551)
N/A

>  <Target> (1,551)
Raf

>  <Form> (1,551)
Dihydroch

>  <CAS> (1,551)
1191385-19-9

>  <URL> (1,551)
htt

$$$$

csChFnd80/05202110422D

 38 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,552)
1552

>  <Formula> (1,552)
C26H30F3N7O2

>  <MolWeight> (1,552)
529.5573096

>  <Cat> (1,552)
S6662

>  <Name> (1,552)
AST-487

>  <Synonyms> (1,552)
N/A

>  <Target> (1,552)
FLT3

>  <Form> (1,552)
Free Base

>  <CAS> (1,552)
630124-46-8

>  <URL> (1,552)
htt

$$$$

csChFnd80/05202110422D

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htt

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>  <URL> (1,558)
htt

$$$$

csChFnd80/05202110422D

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Immunology & Inflammation related

>  <Form> (1,559)
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>  <CAS> (1,559)
51415-02-2

>  <URL> (1,559)
htt

$$$$

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>  <Form> (1,560)
Free Base

>  <CAS> (1,560)
52286-74-5

>  <URL> (1,560)
htt

$$$$

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>  <CAS> (1,561)
20311-51-7

>  <URL> (1,561)
htt

$$$$

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882663-88-9

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htt

$$$$

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htt

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htt

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htt

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htt

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139298-40-1

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htt

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1784751-19-4

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htt

$$$$

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3476-86-6

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htt

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htt

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>  <Mol_ID> (1,582)
1582

>  <Formula> (1,582)
C32H39N7O4

>  <MolWeight> (1,582)
585.69656

>  <Cat> (1,582)
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>  <Name> (1,582)
Mobocertinib

>  <Synonyms> (1,582)
AP3

>  <Target> (1,582)
EGFR

>  <Form> (1,582)
Free Base

>  <CAS> (1,582)
1847461-43-1

>  <URL> (1,582)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,583)
1583

>  <Formula> (1,583)
C43H46F3N7O7S

>  <MolWeight> (1,583)
861.9282496

>  <Cat> (1,583)
S8888

>  <Name> (1,583)
GMB-475

>  <Synonyms> (1,583)
N/A

>  <Target> (1,583)
PROTAC

>  <Form> (1,583)
Free Base

>  <CAS> (1,583)
no cas

>  <URL> (1,583)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,584)
1584

>  <Formula> (1,584)
C26H27N3O2

>  <MolWeight> (1,584)
413.51148

>  <Cat> (1,584)
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>  <Name> (1,584)
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>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
PCSK9

>  <Form> (1,584)
Free Base

>  <CAS> (1,584)
1629166-02-4

>  <URL> (1,584)
htt

$$$$

csChFnd80/05202110422D

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N/A

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EGFR

>  <Form> (1,585)
Free Base

>  <CAS> (1,585)
879127-07-8

>  <URL> (1,585)
htt

$$$$

csChFnd80/05202110422D

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1586

>  <Formula> (1,586)
C26H34N6O3S

>  <MolWeight> (1,586)
510.65156

>  <Cat> (1,586)
S0391

>  <Name> (1,586)
TG-89

>  <Synonyms> (1,586)
N/A

>  <Target> (1,586)
JAK

>  <Form> (1,586)
Free Base

>  <CAS> (1,586)
936091-56-4

>  <URL> (1,586)
htt

$$$$

csChFnd80/05202110422D

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1587

>  <Formula> (1,587)
C24H28N6O3S

>  <MolWeight> (1,587)
480.58252

>  <Cat> (1,587)
S0487

>  <Name> (1,587)
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>  <Synonyms> (1,587)
HMP

>  <Target> (1,587)
CSF-1R

>  <Form> (1,587)
Free Base

>  <CAS> (1,587)
1308672-74-3

>  <URL> (1,587)
htt

$$$$

csChFnd80/05202110422D

 30 32  0  0  0  0  0  0  0  0999 V2000
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1588

>  <Formula> (1,588)
C20H25ClN6O3

>  <MolWeight> (1,588)
432.9039

>  <Cat> (1,588)
S0500

>  <Name> (1,588)
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>  <Synonyms> (1,588)
NG 

>  <Target> (1,588)
CDK

>  <Form> (1,588)
Free Base

>  <CAS> (1,588)
212844-54-7

>  <URL> (1,588)
htt

$$$$

csChFnd80/05202110422D

 18 20  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/05202110422D

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SC 

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Pim

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Free Base

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491871-58-0

>  <URL> (1,590)
htt

$$$$

csChFnd80/05202110422D

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Tyr

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EGFR

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133550-49-9

>  <URL> (1,591)
htt

$$$$

csChFnd80/05202110422D

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TH-257

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N/A

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LIM kinase

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Free Base

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2244678-29-1

>  <URL> (1,592)
htt

$$$$

csChFnd80/05202110422D

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>  <Formula> (1,593)
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S6837

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R-10015

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
LIM kinase

>  <Form> (1,593)
Free Base

>  <CAS> (1,593)
2097938-51-5

>  <URL> (1,593)
htt

$$$$

csChFnd80/05202110422D

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htt

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htt

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htt

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ALK

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free base

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2229036-62-6

>  <URL> (1,606)
htt

$$$$

csChFnd80/05202110422D

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FGFR

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free base

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1513857-77-6

>  <URL> (1,607)
htt

$$$$

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LIM kinase

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free base

>  <CAS> (1,608)
1338247-35-0

>  <URL> (1,608)
htt

$$$$

csChFnd80/05202110422D

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csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,613)
1613

>  <Formula> (1,613)
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>  <MolWeight> (1,613)
457.52428

>  <Cat> (1,613)
S0425

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TBK1/IKK¦Å-I

>  <Target> (1,613)
I¦ÊB/IKK

>  <Form> (1,613)
free base

>  <CAS> (1,613)
1292310-49-6

>  <URL> (1,613)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,614)
1614

>  <Formula> (1,614)
C21H13ClF3N3O2

>  <MolWeight> (1,614)
431.7950296

>  <Cat> (1,614)
S0445

>  <Name> (1,614)
SC-43

>  <Target> (1,614)
phosphatase

>  <Form> (1,614)
free base

>  <CAS> (1,614)
1400989-25-4

>  <URL> (1,614)
htt

$$$$

csChFnd80/05202110422D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,615)
1615

>  <Formula> (1,615)
C14H10N4O3S

>  <MolWeight> (1,615)
314.3192

>  <Cat> (1,615)
S0458

>  <Name> (1,615)
KY1220

>  <Target> (1,615)
Wnt/beta-catenin

>  <Form> (1,615)
free base

>  <CAS> (1,615)
292168-79-7

>  <URL> (1,615)
htt

$$$$

csChFnd80/05202110422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,616)
1616

>  <Formula> (1,616)
C19H11ClN3NaO2

>  <MolWeight> (1,616)
371.75231

>  <Cat> (1,616)
S0707

>  <Name> (1,616)
Silmitaserti

>  <Target> (1,616)
Casein Kinase

>  <Form> (1,616)
sodium

>  <CAS> (1,616)
1309357-15-0

>  <URL> (1,616)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,617)
1617

>  <Formula> (1,617)
C23H40N2O3

>  <MolWeight> (1,617)
392.5753

>  <Cat> (1,617)
S0752

>  <Name> (1,617)
AUDA

>  <Target> (1,617)
Epoxide Hydrolase

>  <Form> (1,617)
free base

>  <CAS> (1,617)
479413-70-2

>  <URL> (1,617)
htt

$$$$

csChFnd80/05202110422D

 41 42  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/05202110422D

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htt

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htt

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htt

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htt

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csChFnd80/05202110422D

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free base

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465-39-4

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htt

$$$$

csChFnd80/05202110422D

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Akt

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free base

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119425-89-7

>  <URL> (1,629)
htt

$$$$

csChFnd80/05202110422D

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free base

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119425-90-0

>  <URL> (1,630)
htt

$$$$

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htt

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free base

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548-04-9

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htt

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94596-28-8

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htt

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csChFnd80/05202110422D

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>  <CAS> (1,634)
32602-81-6

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htt

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htt

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htt

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htt

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htt

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htt

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csChFnd80/05202110422D

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No

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htt

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BTK

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>  <URL> (1,673)
htt

$$$$

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>  <Mol_ID> (1,674)
1674

>  <Formula> (1,674)
C28H40N6O

>  <MolWeight> (1,674)
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>  <Cat> (1,674)
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>  <Name> (1,674)
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>  <Target> (1,674)
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>  <Form> (1,674)
free base

>  <CAS> (1,674)
1429881-91-3

>  <URL> (1,674)
htt

$$$$

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htt

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csChFnd80/05202110422D

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c-Met

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1033767-86-0

>  <URL> (1,679)
htt

$$$$

csChFnd80/05202110422D

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1680

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VEGFR. Akt. GSK-3. Rho. apoptosis related

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Free Base

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163655-37-6

>  <URL> (1,680)
htt

$$$$

csChFnd80/05202110422D

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others

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494753-69-4

>  <URL> (1,681)
htt

$$$$

csChFnd80/05202110422D

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>  <URL> (1,682)
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Free Base

>  <CAS> (1,683)
5928-25-6

>  <URL> (1,683)
htt

$$$$

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Free Base

>  <CAS> (1,684)
58479-68-8

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htt

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Corynoxeine

>  <Synonyms> (1,685)
N/A

>  <Target> (1,685)
ERK

>  <Form> (1,685)
Free Base

>  <CAS> (1,685)
630-94-4

>  <URL> (1,685)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,686)
1686

>  <Formula> (1,686)
C50H83NO21

>  <MolWeight> (1,686)
1034.18812

>  <Cat> (1,686)
S9444

>  <Name> (1,686)
Tomatine

>  <Synonyms> (1,686)
lyc

>  <Target> (1,686)
Anti-infection

>  <Form> (1,686)
Free Base

>  <CAS> (1,686)
17406-45-0

>  <URL> (1,686)
htt

$$$$

csChFnd80/05202110422D

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Free Base

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2123489-30-3

>  <URL> (1,687)
htt

$$$$

csChFnd80/05202110422D

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SIK

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2172617-15-9

>  <URL> (1,688)
htt

$$$$

csChFnd80/05202110422D

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ASK

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1262041-49-5

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htt

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csChFnd80/05202110422D

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138736-73-9

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htt

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>  <Synonyms> (1,691)
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>  <Target> (1,691)
EGFR

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Free Base

>  <CAS> (1,691)
189290-58-2

>  <URL> (1,691)
htt

$$$$

csChFnd80/05202110422D

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M  END
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1692

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>  <MolWeight> (1,692)
318.2997032

>  <Cat> (1,692)
S0153

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>  <Synonyms> (1,692)
N/A

>  <Target> (1,692)
TGF-beta/Smad

>  <Form> (1,692)
Free Base

>  <CAS> (1,692)
425613-09-8

>  <URL> (1,692)
htt

$$$$

csChFnd80/05202110422D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
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1693

>  <Formula> (1,693)
C18H15N5O

>  <MolWeight> (1,693)
317.3446

>  <Cat> (1,693)
S0256

>  <Name> (1,693)
Ehp-inhibito

>  <Synonyms> (1,693)
Ehp

>  <Target> (1,693)
Ephrin receptor

>  <Form> (1,693)
Free Base

>  <CAS> (1,693)
861249-59-4

>  <URL> (1,693)
htt

$$$$

csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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1694

>  <Formula> (1,694)
C17H15NO2

>  <MolWeight> (1,694)
265.3065

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S0290

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SU5204

>  <Synonyms> (1,694)
N/A

>  <Target> (1,694)
VEGFR. HER2

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Free Base

>  <CAS> (1,694)
186611-11-0

>  <URL> (1,694)
htt

$$$$

csChFnd80/05202110422D

 18 19  0  0  0  0  0  0  0  0999 V2000
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1695

>  <Formula> (1,695)
C13H14N2O3

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246.26186

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S0323

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Antineoplast

>  <Synonyms> (1,695)
N/A

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Ras

>  <Form> (1,695)
Free Base

>  <CAS> (1,695)
91531-30-5

>  <URL> (1,695)
htt

$$$$

csChFnd80/05202110422D

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1696

>  <Formula> (1,696)
C16H11N3O3

>  <MolWeight> (1,696)
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>  <Cat> (1,696)
S0354

>  <Name> (1,696)
Alsterpaullo

>  <Synonyms> (1,696)
Alp

>  <Target> (1,696)
CDK. GSK-3. apoptosis related. Caspase

>  <Form> (1,696)
Free Base

>  <CAS> (1,696)
237430-03-4

>  <URL> (1,696)
htt

$$$$

csChFnd80/05202110422D

 41 45  0  0  0  0  0  0  0  0999 V2000
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csChFnd80/05202110422D

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916603-07-1

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htt

$$$$

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htt

$$$$

csChFnd80/05202110422D

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1265789-88-5

>  <URL> (1,700)
htt

$$$$

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M  END
>  <Mol_ID> (1,701)
1701

>  <Formula> (1,701)
C16H10F2N6O

>  <MolWeight> (1,701)
340.2870064

>  <Cat> (1,701)
S0411

>  <Name> (1,701)
BAM 15

>  <Synonyms> (1,701)
N/A

>  <Target> (1,701)
AMPK. apoptosis related

>  <Form> (1,701)
Free Base

>  <CAS> (1,701)
210302-17-3

>  <URL> (1,701)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,702)
1702

>  <Formula> (1,702)
C22H19N3O2S

>  <MolWeight> (1,702)
389.47016

>  <Cat> (1,702)
S0431

>  <Name> (1,702)
ML281

>  <Synonyms> (1,702)
N/A

>  <Target> (1,702)
Serine/threonin kinase

>  <Form> (1,702)
Free Base

>  <CAS> (1,702)
1404437-62-2

>  <URL> (1,702)
htt

$$$$

csChFnd80/05202110422D

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M  END
>  <Mol_ID> (1,703)
1703

>  <Formula> (1,703)
C15H12Cl2N4O

>  <MolWeight> (1,703)
335.18798

>  <Cat> (1,703)
S0454

>  <Name> (1,703)
Adjudin

>  <Synonyms> (1,703)
AF-

>  <Target> (1,703)
Chloride Channel. NF-¦ÊB. ERK

>  <Form> (1,703)
Free Base

>  <CAS> (1,703)
252025-52-8

>  <URL> (1,703)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,704)
1704

>  <Formula> (1,704)
C16H16N4

>  <MolWeight> (1,704)
264.32504

>  <Cat> (1,704)
S0771

>  <Name> (1,704)
BRD6989

>  <Synonyms> (1,704)
N/A

>  <Target> (1,704)
CDK. Interleukins.

>  <Form> (1,704)
Free Base

>  <CAS> (1,704)
642008-81-9

>  <URL> (1,704)
htt

$$$$

csChFnd80/05202110422D

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>  <Mol_ID> (1,705)
1705

>  <Formula> (1,705)
C22H16N2O2

>  <MolWeight> (1,705)
340.37464

>  <Cat> (1,705)
S0775

>  <Name> (1,705)
IRAK4-IN-4

>  <Synonyms> (1,705)
N/A

>  <Target> (1,705)
IRAK, cGAS

>  <Form> (1,705)
Free Base

>  <CAS> (1,705)
1850276-58-2

>  <URL> (1,705)
htt

$$$$

csChFnd80/05202110422D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
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  3 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,706)
1706

>  <Formula> (1,706)
C16H12ClNO

>  <MolWeight> (1,706)
269.72558

>  <Cat> (1,706)
S0780

>  <Name> (1,706)
Oncrasin-1

>  <Synonyms> (1,706)
N/A

>  <Target> (1,706)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (1,706)
Free Base

>  <CAS> (1,706)
75629-57-1

>  <URL> (1,706)
htt

$$$$

csChFnd80/05202110422D

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  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 22  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,707)
1707

>  <Formula> (1,707)
C20H11N3O3

>  <MolWeight> (1,707)
341.31964

>  <Cat> (1,707)
S0781

>  <Name> (1,707)
IQ 3

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
JNK. NF-¦ÊB. TNF-¦Á. IL-6

>  <Form> (1,707)
Free Base

>  <CAS> (1,707)
312538-03-7

>  <URL> (1,707)
htt

$$$$

csChFnd80/05202110422D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
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  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
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 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
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 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (1,708)
1708

>  <Formula> (1,708)
C16H11Cl2N3O2S

>  <MolWeight> (1,708)
380.24844

>  <Cat> (1,708)
S0795

>  <Name> (1,708)
O-304

>  <Synonyms> (1,708)
O-3

>  <Target> (1,708)
AMPK

>  <Form> (1,708)
Free Base

>  <CAS> (1,708)
1261289-04-6

>  <URL> (1,708)
htt

$$$$

csChFnd80/05202110422D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,709)
1709

>  <Formula> (1,709)
C20H23N5O

>  <MolWeight> (1,709)
349.42952

>  <Cat> (1,709)
S0798

>  <Name> (1,709)
PZ-2891

>  <Synonyms> (1,709)
N/A

>  <Target> (1,709)
others

>  <Form> (1,709)
Free Base

>  <CAS> (1,709)
2170608-82-7

>  <URL> (1,709)
htt

$$$$

csChFnd80/05202110422D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,710)
1710

>  <Formula> (1,710)
C15H21N3O6

>  <MolWeight> (1,710)
339.34374

>  <Cat> (1,710)
S0827

>  <Name> (1,710)
LM22A-4

>  <Synonyms> (1,710)
LM 

>  <Target> (1,710)
Trk receptor

>  <Form> (1,710)
Free Base

>  <CAS> (1,710)
37988-18-4

>  <URL> (1,710)
htt

$$$$

csChFnd80/05202110422D

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Rho

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Free Base

>  <CAS> (1,712)
16616-39-0

>  <URL> (1,712)
htt

$$$$

csChFnd80/05202110422D

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303.35778

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>  <Synonyms> (1,713)
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>  <Target> (1,713)
TRP Channel

>  <Form> (1,713)
Free Base

>  <CAS> (1,713)
831234-13-0

>  <URL> (1,713)
htt

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729-46-4

>  <URL> (1,714)
htt

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csChFnd80/05202110422D

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1715

>  <Formula> (1,715)
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>  <CAS> (1,715)
898280-07-4

>  <URL> (1,715)
htt

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   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (1,716)
1716

>  <Formula> (1,716)
C29H30O13

>  <MolWeight> (1,716)
586.5407

>  <Cat> (1,716)
S1273

>  <Name> (1,716)
Amarogentin

>  <Synonyms> (1,716)
AG

>  <Target> (1,716)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (1,716)
Free Base

>  <CAS> (1,716)
21018-84-8

>  <URL> (1,716)
htt

$$$$

csChFnd80/05202110422D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (1,717)
1717

>  <Formula> (1,717)
C13H8O3

>  <MolWeight> (1,717)
212.20082

>  <Cat> (1,717)
S1321

>  <Name> (1,717)
Urolithin B

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (1,717)
Free Base

>  <CAS> (1,717)
1139-83-9

>  <URL> (1,717)
htt

$$$$

csChFnd80/05202110422D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
1718

>  <Formula> (1,718)
C16H12O3

>  <MolWeight> (1,718)
252.26468

>  <Cat> (1,718)
S1323

>  <Name> (1,718)
7-Methoxyiso

>  <Synonyms> (1,718)
MIF

>  <Target> (1,718)
AMPK

>  <Form> (1,718)
Free Base

>  <CAS> (1,718)
1621-56-3

>  <URL> (1,718)
htt

$$$$

csChFnd80/05202110422D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,719)
1719

>  <Formula> (1,719)
C5H6Na2O5

>  <MolWeight> (1,719)
192.07768

>  <Cat> (1,719)
S1325

>  <Name> (1,719)
L-2-Hydroxyg

>  <Synonyms> (1,719)
(S)

>  <Target> (1,719)
Histone Demethylase

>  <Form> (1,719)
Disodium

>  <CAS> (1,719)
63512-50-5

>  <URL> (1,719)
htt

$$$$

csChFnd80/05202110422D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,720)
1720

>  <Formula> (1,720)
C30H36Br2N4O2

>  <MolWeight> (1,720)
644.44044

>  <Cat> (1,720)
S2942

>  <Name> (1,720)
EB-3D

>  <Synonyms> (1,720)
N/A

>  <Target> (1,720)
Choline kinase. AMPK. Apoptosis related

>  <Form> (1,720)
Free Base

>  <CAS> (1,720)
1839150-63-8

>  <URL> (1,720)
htt

$$$$

csChFnd80/05202110422D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (1,721)
1721

>  <Formula> (1,721)
C13H17Cl2N3O2S

>  <MolWeight> (1,721)
350.26398

>  <Cat> (1,721)
S2964

>  <Name> (1,721)
HA-100 dihyd

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
PKG, PKA, PKC, MLCK

>  <Form> (1,721)
Dihydroch

>  <CAS> (1,721)
210297-47-5

>  <URL> (1,721)
htt

$$$$

csChFnd80/05202110422D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,722)
1722

>  <Formula> (1,722)
C12H14N2O2

>  <MolWeight> (1,722)
218.25176

>  <Cat> (1,722)
S2985

>  <Name> (1,722)
N-Acetyl-5-h

>  <Synonyms> (1,722)
NAS

>  <Target> (1,722)
Trk receptor

>  <Form> (1,722)
Free Base

>  <CAS> (1,722)
1210-83-9

>  <URL> (1,722)
htt

$$$$

csChFnd80/05202110422D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   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
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,723)
1723

>  <Formula> (1,723)
C3H4O3

>  <MolWeight> (1,723)
88.06206

>  <Cat> (1,723)
S3143

>  <Name> (1,723)
Pyruvic acid

>  <Synonyms> (1,723)
Ace

>  <Target> (1,723)
LDH. Casein Kinase. ATPase.

>  <Form> (1,723)
Free Base

>  <CAS> (1,723)
127-17-3

>  <URL> (1,723)
htt

$$$$

csChFnd80/05202110422D

 18 17  0  0  0  0  0  0  0  0999 V2000
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   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,724)
1724

>  <Formula> (1,724)
C16H30O2

>  <MolWeight> (1,724)
254.4082

>  <Cat> (1,724)
S3341

>  <Name> (1,724)
Palmitoleic 

>  <Synonyms> (1,724)
POA

>  <Target> (1,724)
AMPK

>  <Form> (1,724)
Free Base

>  <CAS> (1,724)
373-49-9

>  <URL> (1,724)
htt

$$$$

csChFnd80/05202110422D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,725)
1725

>  <Formula> (1,725)
C7H7NO3

>  <MolWeight> (1,725)
153.13538

>  <Cat> (1,725)
S3355

>  <Name> (1,725)
3-Hydroxyant

>  <Synonyms> (1,725)
3-H

>  <Target> (1,725)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (1,725)
Free Base

>  <CAS> (1,725)
548-93-6

>  <URL> (1,725)
htt

$$$$

csChFnd80/05202110422D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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 18 22  1  0  0  0  0
 23 24  3  0  0  0  0
 18 23  1  0  0  0  0
 15 18  1  0  0  0  0
  9 12  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,726)
1726

>  <Formula> (1,726)
C24H23N5O

>  <MolWeight> (1,726)
397.47232

>  <Cat> (1,726)
S5248

>  <Name> (1,726)
Apatinib

>  <Synonyms> (1,726)
YN9

>  <Target> (1,726)
VEGFR/c-RET

>  <Form> (1,726)
Free Base

>  <CAS> (1,726)
811803-05-1

>  <URL> (1,726)
htt

$$$$

csChFnd80/05202110422D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
  5 14  1  0  0  0  0
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 10 19  1  0  0  0  0
 20 21  1  0  0  0  0
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 20 26  1  0  0  0  0
  1 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,727)
1727

>  <Formula> (1,727)
C17H20N6O2S

>  <MolWeight> (1,727)
372.4447

>  <Cat> (1,727)
S6517

>  <Name> (1,727)
GNE-493

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
PI3K. mTOR.

>  <Form> (1,727)
Free Base

>  <CAS> (1,727)
1033735-94-2

>  <URL> (1,727)
htt

$$$$

csChFnd80/05202110422D

 35 39  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 15  1  0  0  0  0
 11 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,728)
1728

>  <Formula> (1,728)
C26H24IN7O

>  <MolWeight> (1,728)
577.41953

>  <Cat> (1,728)
S6912

>  <Name> (1,728)
Vacuolin-1

>  <Synonyms> (1,728)
N/A

>  <Target> (1,728)
PIKfyve. Autophagy

>  <Form> (1,728)
Free Base

>  <CAS> (1,728)
351986-85-1

>  <URL> (1,728)
htt

$$$$

csChFnd80/05202110422D

 27 29  0  0  0  0  0  0  0  0999 V2000
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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
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
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M  END
>  <Mol_ID> (1,729)
1729

>  <Formula> (1,729)
C21H19F2NO3

>  <MolWeight> (1,729)
371.3772664

>  <Cat> (1,729)
S6920

>  <Name> (1,729)
SEA0400

>  <Synonyms> (1,729)
N/A

>  <Target> (1,729)
Calcium Channel. Sodium Channel. ERK. p38 MA

>  <Form> (1,729)
Free Base

>  <CAS> (1,729)
223104-29-8

>  <URL> (1,729)
htt

$$$$

csChFnd80/05202110422D

 32 34  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,730)
1730

>  <Formula> (1,730)
C22H27ClN4O5

>  <MolWeight> (1,730)
462.92658

>  <Cat> (1,730)
S6921

>  <Name> (1,730)
Dorzagliatin

>  <Synonyms> (1,730)
HMS

>  <Target> (1,730)
Carbohydrate Metabolism

>  <Form> (1,730)
Free Base

>  <CAS> (1,730)
1191995-00-2

>  <URL> (1,730)
htt

$$$$

csChFnd80/05202110422D

  1  0  0  0  0  0  0  0  0  0999 V2000
  244.4750 -169.8500    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
A    1
No Structure
M  END
>  <Mol_ID> (1,731)
1731

>  <Formula> (1,731)
R

>  <Cat> (1,731)
S6955

>  <Name> (1,731)
Insulin (hum

>  <Synonyms> (1,731)
Ins

>  <Target> (1,731)
IGF-1R

>  <Form> (1,731)
Free Base

>  <CAS> (1,731)
11061-68-0

>  <URL> (1,731)
htt

$$$$

csChFnd80/05202110422D

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CDK. PROTAC. E3 Ligase

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>  <CAS> (1,732)
2139287-33-3

>  <URL> (1,732)
htt

$$$$

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>  <Synonyms> (1,733)
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>  <Target> (1,733)
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>  <Form> (1,733)
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>  <CAS> (1,733)
unknown

>  <URL> (1,733)
htt

$$$$

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1734

>  <Formula> (1,734)
C29H36F3N3O8S

>  <MolWeight> (1,734)
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>  <Cat> (1,734)
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>  <Synonyms> (1,734)
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>  <Target> (1,734)
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>  <Form> (1,734)
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>  <CAS> (1,734)
168682-53-9

>  <URL> (1,734)
htt

$$$$

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htt

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2103-64-2

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htt

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htt

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M  END
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>  <Form> (1,739)
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>  <CAS> (1,739)
222716-34-9

>  <URL> (1,739)
htt

$$$$

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Syk

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>  <CAS> (1,740)
2254693-15-5

>  <URL> (1,740)
htt

$$$$

csChFnd80/05202110422D

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>  <Formula> (1,741)
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>  <Synonyms> (1,741)
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EGFR

>  <Form> (1,741)
Free Base

>  <CAS> (1,741)
2414572-47-5

>  <URL> (1,741)
htt

$$$$

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>  <MolWeight> (1,742)
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>  <Name> (1,742)
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>  <Synonyms> (1,742)
CI-

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EGFR

>  <Form> (1,742)
Dihydroch

>  <CAS> (1,742)
289499-45-2

>  <URL> (1,742)
htt

$$$$

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htt

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htt

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M  END
>  <Mol_ID> (1,752)
1752

>  <Formula> (1,752)
C19H18FN3O2

>  <MolWeight> (1,752)
339.3635232

>  <Cat> (1,752)
S0995

>  <Name> (1,752)
BioE-1115

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
Serine/threonin kinase

>  <Form> (1,752)
Free Base

>  <CAS> (1,752)
1268863-35-9

>  <URL> (1,752)
htt

$$$$

csChFnd80/05202110422D

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 12  4  1  6  0  0  0
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M  END
>  <Mol_ID> (1,753)
1753

>  <Formula> (1,753)
C20H19ClN6O

>  <MolWeight> (1,753)
394.85746

>  <Cat> (1,753)
S8988

>  <Name> (1,753)
Rhosin hydro

>  <Synonyms> (1,753)
G04

>  <Target> (1,753)
Rho

>  <Form> (1,753)
Hydrochlo

>  <CAS> (1,753)
1281870-42-5

>  <URL> (1,753)
htt

$$$$

csChFnd80/05202110422D

 40 43  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,754)
1754

>  <Formula> (1,754)
C27H36N8O5

>  <MolWeight> (1,754)
552.62534

>  <Cat> (1,754)
S5188

>  <Name> (1,754)
Ribociclib s

>  <Synonyms> (1,754)
LEE

>  <Target> (1,754)
CDK

>  <Form> (1,754)
Succinate

>  <CAS> (1,754)
1374639-75-4

>  <URL> (1,754)
htt

$$$$

csChFnd80/05202110422D

 40 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,755)
1755

>  <Formula> (1,755)
C28H38Cl3N5O3S

>  <MolWeight> (1,755)
631.05702

>  <Cat> (1,755)
S4967

>  <Name> (1,755)
Ceritinib di

>  <Synonyms> (1,755)
Zyk

>  <Target> (1,755)
ALK

>  <Form> (1,755)
Dihydroch

>  <CAS> (1,755)
1380575-43-8

>  <URL> (1,755)
htt

$$$$

csChFnd80/05202110422D

 31 33  0  0  0  0  0  0  0  0999 V2000
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htt

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SIK

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>  <CAS> (1,757)
1456858-58-4

>  <URL> (1,757)
htt

$$$$

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1595129-71-7

>  <URL> (1,758)
htt

$$$$

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htt

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csChFnd80/05202110422D

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835621-07-3

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htt

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csChFnd80/05202110422D

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892686-59-8

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htt

$$$$

csChFnd80/05202110422D

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914295-16-2

>  <URL> (1,766)
htt

$$$$
