WAY-312666
csChFnd80/05212110122D

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SIRT3

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free base

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472980-46-4

>  <URL> (1)
N/A

$$$$
WAY-311318
csChFnd80/05212110122D

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>  <Mol_ID> (2)
2

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412.48036

>  <Cat> (2)
P3591

>  <Name> (2)
WAY-311318

>  <Synonyms> (2)
N/A

>  <Target> (2)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (2)
free base

>  <CAS> (2)
333314-79-7

>  <URL> (2)
N/A

$$$$
WAY-312461
csChFnd80/05212110122D

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>  <Mol_ID> (3)
3

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C25H22N2O4

>  <MolWeight> (3)
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WAY-312461

>  <Synonyms> (3)
N/A

>  <Target> (3)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (3)
free base

>  <CAS> (3)
420827-50-5

>  <URL> (3)
N/A

$$$$
WAY-311581
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
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>  <MolWeight> (4)
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>  <Name> (4)
WAY-311581

>  <Synonyms> (4)
N/A

>  <Target> (4)
SIRT3

>  <Form> (4)
free base

>  <CAS> (4)
332125-86-7

>  <URL> (4)
N/A

$$$$
WAY-310766
csChFnd80/05212110122D

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$$$$
WAY-118959-A
csChFnd80/05212110122D

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6

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others

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free base

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315703-81-2

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N/A

$$$$
WAY-249486
csChFnd80/05212110122D

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free base

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N/A

$$$$
WAY-296712
csChFnd80/05212110122D

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M  END
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88530-99-8

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N/A

$$$$
WAY-297285
csChFnd80/05212110122D

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>  <Synonyms> (9)
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N/A

$$$$
WAY-297357
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C22H19N3O5

>  <MolWeight> (10)
405.40336

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P3562

>  <Name> (10)
WAY-297357

>  <Synonyms> (10)
N/A

>  <Target> (10)
SIRT1

>  <Form> (10)
free base

>  <CAS> (10)
312943-99-0

>  <URL> (10)
N/A

$$$$
CL-406156
csChFnd80/05212110122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C19H22N2O2

>  <MolWeight> (11)
310.39018

>  <Cat> (11)
P3540

>  <Name> (11)
CL-406156

>  <Synonyms> (11)
N/A

>  <Target> (11)
DNA Methyltransferase 1

>  <Form> (11)
free base

>  <CAS> (11)
91324-16-2

>  <URL> (11)
N/A

$$$$
WAY-234636
csChFnd80/05212110122D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 17 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
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 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C16H12N4O2

>  <MolWeight> (12)
292.29208

>  <Cat> (12)
P3547

>  <Name> (12)
WAY-234636

>  <Synonyms> (12)
N/A

>  <Target> (12)
Androgen Receptor

>  <Form> (12)
free base

>  <CAS> (12)
55589-09-8

>  <URL> (12)
N/A

$$$$
WAY-298378
csChFnd80/05212110122D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C12H12N2O3S

>  <MolWeight> (13)
264.30028

>  <Cat> (13)
P3563

>  <Name> (13)
WAY-298378

>  <Synonyms> (13)
N/A

>  <Target> (13)
AMPK

>  <Form> (13)
free base

>  <CAS> (13)
335398-80-6

>  <URL> (13)
N/A

$$$$
WAY-298477
csChFnd80/05212110122D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.1414    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
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 22  5  1  0  0  0  0
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 26 23  2  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C23H22N4O5

>  <MolWeight> (14)
434.44458

>  <Cat> (14)
P3564

>  <Name> (14)
WAY-298477

>  <Synonyms> (14)
N/A

>  <Target> (14)
PKC-b II and PKB dual 

>  <Form> (14)
free base

>  <CAS> (14)
1353673-63-8

>  <URL> (14)
N/A

$$$$
WAY-298851
csChFnd80/05212110122D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    2.2303   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0131   -4.3456    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
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  5 10  2  0  0  0  0
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  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C15H9ClO3

>  <MolWeight> (15)
272.68316

>  <Cat> (15)
P3565

>  <Name> (15)
WAY-298851

>  <Synonyms> (15)
N/A

>  <Target> (15)
Pim-1,Anti-infection

>  <Form> (15)
free base

>  <CAS> (15)
53391-72-3

>  <URL> (15)
N/A

$$$$
WAY-299178
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.5172    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2379    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0172   -1.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.0448    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
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 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C18H19N3O

>  <MolWeight> (16)
293.36296

>  <Cat> (16)
P3566

>  <Name> (16)
WAY-299178

>  <Synonyms> (16)
N/A

>  <Target> (16)
HDAC

>  <Form> (16)
free base

>  <CAS> (16)
1031349-21-9

>  <URL> (16)
N/A

$$$$
WAY-299510
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9862   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2138   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  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
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  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
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 20 23  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C16H17N5O2

>  <MolWeight> (17)
311.33848

>  <Cat> (17)
P3567

>  <Name> (17)
WAY-299510

>  <Synonyms> (17)
N/A

>  <Target> (17)
Anti-infection,STAT3

>  <Form> (17)
free base

>  <CAS> (17)
1007998-55-1

>  <URL> (17)
N/A

$$$$
WAY-325090
csChFnd80/05212110122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
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 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C19H15N3O2S2

>  <MolWeight> (18)
381.4713

>  <Cat> (18)
P3617

>  <Name> (18)
WAY-325090

>  <Synonyms> (18)
N/A

>  <Target> (18)
microRNA

>  <Form> (18)
free base

>  <CAS> (18)
1008280-11-2

>  <URL> (18)
N/A

$$$$
CL-414715
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7960    0.4386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  4 10  2  0  0  0  0
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  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C15H15N3O4

>  <MolWeight> (19)
301.2973

>  <Cat> (19)
P3541

>  <Name> (19)
CL-414715

>  <Synonyms> (19)
N/A

>  <Target> (19)
EZH2

>  <Form> (19)
free base

>  <CAS> (19)
107392-68-7

>  <URL> (19)
N/A

$$$$
CL-418030
csChFnd80/05212110122D

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

>  <Formula> (20)
C19H20N4OS

>  <MolWeight> (20)
352.4533

>  <Cat> (20)
P3542

>  <Name> (20)
CL-418030

>  <Synonyms> (20)
N/A

>  <Target> (20)
MLL protein and menin interaction,P2Y12 re

>  <Form> (20)
free base

>  <CAS> (20)
1093748-54-9

>  <URL> (20)
N/A

$$$$
GI-558744
csChFnd80/05212110122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C14H9NO3

>  <MolWeight> (21)
239.22616

>  <Cat> (21)
P3543

>  <Name> (21)
GI-558744

>  <Synonyms> (21)
N/A

>  <Target> (21)
HIF PHD,Anti-infection

>  <Form> (21)
free base

>  <CAS> (21)
1164452-80-5

>  <URL> (21)
N/A

$$$$
WAY-223539
csChFnd80/05212110122D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5686    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4141    1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    2.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.0641    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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  4  7  1  0  0  0  0
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  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C14H15NO4

>  <MolWeight> (22)
261.2732

>  <Cat> (22)
P3546

>  <Name> (22)
WAY-223539

>  <Synonyms> (22)
N/A

>  <Target> (22)
BRD4

>  <Form> (22)
free base

>  <CAS> (22)
13729-79-8

>  <URL> (22)
N/A

$$$$
WAY-299582
csChFnd80/05212110122D

 15 16  0  0  0  0  0  0  0  0999 V2000
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    0.4795    0.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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 13 15  1  0  0  0  0
  8 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C8H12FN5O

>  <MolWeight> (23)
213.2121832

>  <Cat> (23)
P3568

>  <Name> (23)
WAY-299582

>  <Synonyms> (23)
N/A

>  <Target> (23)
KDM5A

>  <Form> (23)
free base

>  <CAS> (23)
118121-89-4

>  <URL> (23)
N/A

$$$$
WAY-299727
csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 18  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
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 17  2  1  0  0  0  0
 18 20  2  0  0  0  0
 19 15  2  0  0  0  0
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 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
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 25 22  2  0  0  0  0
  5  6  2  0  0  0  0
 24 25  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C18H15N3O3S

>  <MolWeight> (24)
353.395

>  <Cat> (24)
P3569

>  <Name> (24)
WAY-299727

>  <Synonyms> (24)
N/A

>  <Target> (24)
histone deacetylase

>  <Form> (24)
free base

>  <CAS> (24)
332169-78-5

>  <URL> (24)
N/A

$$$$
WAY-299788
csChFnd80/05212110122D

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

>  <Formula> (25)
C12H18N6O2

>  <MolWeight> (25)
278.31032

>  <Cat> (25)
P3570

>  <Name> (25)
WAY-299788

>  <Synonyms> (25)
N/A

>  <Target> (25)
PARP

>  <Form> (25)
free base

>  <CAS> (25)
50693-74-8

>  <URL> (25)
N/A

$$$$
WAY-299838
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C18H19IN2O2

>  <MolWeight> (26)
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>  <Cat> (26)
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>  <Name> (26)
WAY-299838

>  <Synonyms> (26)
N/A

>  <Target> (26)
HIF-1 

>  <Form> (26)
free base

>  <CAS> (26)
333357-56-5

>  <URL> (26)
N/A

$$$$
WAY-300386
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C18H19N3O

>  <MolWeight> (27)
293.36296

>  <Cat> (27)
P3572

>  <Name> (27)
WAY-300386

>  <Synonyms> (27)
N/A

>  <Target> (27)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (27)
free base

>  <CAS> (27)
125009-81-6

>  <URL> (27)
N/A

$$$$
WAY-300488
csChFnd80/05212110122D

 14 15  0  0  0  0  0  0  0  0999 V2000
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 12  9  2  0  0  0  0
 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C11H12N2S

>  <MolWeight> (28)
204.29138

>  <Cat> (28)
P3573

>  <Name> (28)
WAY-300488

>  <Synonyms> (28)
N/A

>  <Target> (28)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (28)
free base

>  <CAS> (28)
299953-94-9

>  <URL> (28)
N/A

$$$$
WAY-300662
csChFnd80/05212110122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11 14  2  0  0  0  0
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M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C20H12Cl2N2O2S

>  <MolWeight> (29)
415.29248

>  <Cat> (29)
P3574

>  <Name> (29)
WAY-300662

>  <Synonyms> (29)
N/A

>  <Target> (29)
Aurora Kinase

>  <Form> (29)
free base

>  <CAS> (29)
327051-69-4

>  <URL> (29)
N/A

$$$$
WAY-300856
csChFnd80/05212110122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C22H19N3OS

>  <MolWeight> (30)
373.47076

>  <Cat> (30)
P3575

>  <Name> (30)
WAY-300856

>  <Synonyms> (30)
N/A

>  <Target> (30)
Sirtuin,NRF2,p97

>  <Form> (30)
free base

>  <CAS> (30)
129544-85-0

>  <URL> (30)
N/A

$$$$
WAY-389228
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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others

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300860-39-3

>  <URL> (31)
N/A

$$$$
WAY-389891
csChFnd80/05212110122D

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32

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>  <Synonyms> (32)
N/A

>  <Target> (32)
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free base

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327091-55-4

>  <URL> (32)
N/A

$$$$
WAY-302914
csChFnd80/05212110122D

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>  <Mol_ID> (33)
33

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>  <MolWeight> (33)
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>  <Synonyms> (33)
N/A

>  <Target> (33)
others

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free base

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313378-68-6

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N/A

$$$$
WAY-303376
csChFnd80/05212110122D

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N/A

$$$$
WAY-303382
csChFnd80/05212110122D

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STAT

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>  <URL> (35)
N/A

$$$$
WAY-303388
csChFnd80/05212110122D

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  8  7  1  0  0  0  0
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C14H12N4O4

>  <MolWeight> (36)
300.26948

>  <Cat> (36)
P3579

>  <Name> (36)
WAY-303388

>  <Synonyms> (36)
N/A

>  <Target> (36)
EZH2

>  <Form> (36)
free base

>  <CAS> (36)
499210-92-3

>  <URL> (36)
N/A

$$$$
WAY-304388
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
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  5  1  2  0  0  0  0
  2  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
 25  7  1  0  0  0  0
  5 24  1  0  0  0  0
 25 12  1  0  0  0  0
  8  9  2  0  0  0  0
 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 10 12  2  0  0  0  0
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 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
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 21 17  2  0  0  0  0
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 13 22  1  0  0  0  0
 22 14  1  0  0  0  0
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 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C21H17N3O

>  <MolWeight> (37)
327.37918

>  <Cat> (37)
P3580

>  <Name> (37)
WAY-304388

>  <Synonyms> (37)
N/A

>  <Target> (37)
sirtuin,histone acetyl transferase

>  <Form> (37)
free base

>  <CAS> (37)
305357-89-5

>  <URL> (37)
N/A

$$$$
WAY-304405
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2103    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 14  1  0  0  0  0
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 16 19  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C19H19NO2

>  <MolWeight> (38)
293.35966

>  <Cat> (38)
P3581

>  <Name> (38)
WAY-304405

>  <Synonyms> (38)
N/A

>  <Target> (38)
STAT,Plasmodium falciparum Equilibrative N

>  <Form> (38)
free base

>  <CAS> (38)
1351505-59-3

>  <URL> (38)
N/A

$$$$
WAY-304544
csChFnd80/05212110122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C15H16N2O3

>  <MolWeight> (39)
272.29914

>  <Cat> (39)
P3582

>  <Name> (39)
WAY-304544

>  <Synonyms> (39)
N/A

>  <Target> (39)
sirtuin

>  <Form> (39)
free base

>  <CAS> (39)
347362-65-6

>  <URL> (39)
N/A

$$$$
WAY-304671
csChFnd80/05212110122D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C16H9ClN2OS2

>  <MolWeight> (40)
344.83846

>  <Cat> (40)
P3583

>  <Name> (40)
WAY-304671

>  <Synonyms> (40)
N/A

>  <Target> (40)
SMYD3

>  <Form> (40)
free base

>  <CAS> (40)
330837-95-1

>  <URL> (40)
N/A

$$$$
WAY-305238
csChFnd80/05212110122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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442648-52-4

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N/A

$$$$
WAY-305341
csChFnd80/05212110122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (42)
42

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C15H15N3O3S

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317.3629

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>  <Synonyms> (42)
N/A

>  <Target> (42)
HDAC

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free base

>  <CAS> (42)
353781-42-7

>  <URL> (42)
N/A

$$$$
WAY-383515
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C17H18N2O3S

>  <MolWeight> (43)
330.40142

>  <Cat> (43)
P3636

>  <Name> (43)
WAY-383515

>  <Synonyms> (43)
N/A

>  <Target> (43)
BRD4

>  <Form> (43)
free base

>  <CAS> (43)
304685-40-3

>  <URL> (43)
N/A

$$$$
WAY-305857
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C15H24N6O2

>  <MolWeight> (44)
320.39006

>  <Cat> (44)
P3586

>  <Name> (44)
WAY-305857

>  <Synonyms> (44)
N/A

>  <Target> (44)
PKC¦Â, PARP-1 

>  <Form> (44)
free base

>  <CAS> (44)
313471-52-2

>  <URL> (44)
N/A

$$$$
WAY-324197
csChFnd80/05212110122D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C21H22N2O

>  <MolWeight> (45)
318.41218

>  <Cat> (45)
P3613

>  <Name> (45)
WAY-324197

>  <Synonyms> (45)
N/A

>  <Target> (45)
SIRT2

>  <Form> (45)
free base

>  <CAS> (45)
1005095-06-6

>  <URL> (45)
N/A

$$$$
WAY-385602
csChFnd80/05212110122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
46

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C20H19ClFN3O3

>  <MolWeight> (46)
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P3637

>  <Name> (46)
WAY-385602

>  <Synonyms> (46)
N/A

>  <Target> (46)
fungal histone acetyltransferase Rtt109

>  <Form> (46)
free base

>  <CAS> (46)
722478-59-3

>  <URL> (46)
N/A

$$$$
WL-164379
csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C19H21N3OS2

>  <MolWeight> (47)
371.51954

>  <Cat> (47)
P3676

>  <Name> (47)
WL-164379

>  <Synonyms> (47)
N/A

>  <Target> (47)
STAT3

>  <Form> (47)
free base

>  <CAS> (47)
311762-65-9

>  <URL> (47)
N/A

$$$$
WAY-308264
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C14H14N4O2S

>  <MolWeight> (48)
302.35156

>  <Cat> (48)
P3587

>  <Name> (48)
WAY-308264

>  <Synonyms> (48)
N/A

>  <Target> (48)
histone acetyltransferase

>  <Form> (48)
free base

>  <CAS> (48)
364624-08-8

>  <URL> (48)
N/A

$$$$
WAY-309060
csChFnd80/05212110122D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C13H14N2O4

>  <MolWeight> (49)
262.26126

>  <Cat> (49)
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>  <Name> (49)
WAY-309060

>  <Synonyms> (49)
N/A

>  <Target> (49)
BRD4

>  <Form> (49)
free base

>  <CAS> (49)
309951-18-6

>  <URL> (49)
N/A

$$$$
WAY-309229-A
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C14H13N3OS

>  <MolWeight> (50)
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>  <Cat> (50)
P3589

>  <Name> (50)
WAY-309229-A

>  <Synonyms> (50)
N/A

>  <Target> (50)
EGFR

>  <Form> (50)
free base

>  <CAS> (50)
799800-65-0

>  <URL> (50)
N/A

$$$$
WAY-352571
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C19H17N3O4S2

>  <MolWeight> (51)
415.48598

>  <Cat> (51)
P3628

>  <Name> (51)
WAY-352571

>  <Synonyms> (51)
N/A

>  <Target> (51)
DNA methyltransferase 3A,hsp90

>  <Form> (51)
free base

>  <CAS> (51)
505054-90-0

>  <URL> (51)
N/A

$$$$
WAY-353519
csChFnd80/05212110122D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C20H21N3O3S2

>  <MolWeight> (52)
415.52904

>  <Cat> (52)
P3629

>  <Name> (52)
WAY-353519

>  <Synonyms> (52)
N/A

>  <Target> (52)
sirtuin

>  <Form> (52)
free base

>  <CAS> (52)
690247-68-8

>  <URL> (52)
N/A

$$$$
WAY-354574
csChFnd80/05212110122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
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 16  2  1  0  0  0  0
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M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C20H23ClN2O3S

>  <MolWeight> (53)
406.92622

>  <Cat> (53)
P3630

>  <Name> (53)
WAY-354574

>  <Synonyms> (53)
N/A

>  <Target> (53)
SIRT2

>  <Form> (53)
free base

>  <CAS> (53)
851873-40-0

>  <URL> (53)
N/A

$$$$
WAY-354875
csChFnd80/05212110122D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
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 12  3  1  0  0  0  0
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M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C17H9FN4O2S

>  <MolWeight> (54)
352.3423632

>  <Cat> (54)
P3631

>  <Name> (54)
WAY-354875

>  <Synonyms> (54)
N/A

>  <Target> (54)
SIRT1

>  <Form> (54)
free base

>  <CAS> (54)
720672-18-4

>  <URL> (54)
N/A

$$$$
WAY-358008
csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C17H15N3O3S

>  <MolWeight> (55)
341.3843

>  <Cat> (55)
P3632

>  <Name> (55)
WAY-358008

>  <Synonyms> (55)
N/A

>  <Target> (55)
microRNA

>  <Form> (55)
free base

>  <CAS> (55)
303018-40-8

>  <URL> (55)
N/A

$$$$
WAY-359061
csChFnd80/05212110122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-380064-A
csChFnd80/05212110122D

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N/A

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PRMT5

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free base

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380192-76-7

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N/A

$$$$
WAY-382052
csChFnd80/05212110122D

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microRNA

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free base

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536713-36-7

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N/A

$$$$
WAY-616361
csChFnd80/05212110122D

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59

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ARTD3,PARP-1

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free base

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730949-09-4

>  <URL> (59)
N/A

$$$$
WL-231219
csChFnd80/05212110122D

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842955-63-9

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N/A

$$$$
WAY-623944
csChFnd80/05212110122D

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>  <URL> (61)
N/A

$$$$
WAY-643116
csChFnd80/05212110122D

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850020-01-8

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N/A

$$$$
WAY-334681-A
csChFnd80/05212110122D

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63

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STAT3

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free base

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736950-05-3

>  <URL> (63)
N/A

$$$$
WAY-334725
csChFnd80/05212110122D

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microRNA

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free base

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742116-35-4

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N/A

$$$$
WAY-625138
csChFnd80/05212110122D

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microRNA

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free base

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756865-61-9

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N/A

$$$$
WAY-273429
csChFnd80/05212110122D

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free base

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N/A

$$$$
WAY-273431
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (67)
67

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C11H8FN5

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229.2131232

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P3558

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WAY-273431

>  <Synonyms> (67)
N/A

>  <Target> (67)
AMPK

>  <Form> (67)
free base

>  <CAS> (67)
525608-36-0

>  <URL> (67)
N/A

$$$$
WAY-277306
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (68)
68

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C19H15N5

>  <MolWeight> (68)
313.3559

>  <Cat> (68)
P3559

>  <Name> (68)
WAY-277306

>  <Synonyms> (68)
N/A

>  <Target> (68)
EZH2

>  <Form> (68)
free base

>  <CAS> (68)
763096-21-5

>  <URL> (68)
N/A

$$$$
WAY-335492
csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C20H27FN2O2

>  <MolWeight> (69)
346.4389832

>  <Cat> (69)
P3622

>  <Name> (69)
WAY-335492

>  <Synonyms> (69)
N/A

>  <Target> (69)
microRNA

>  <Form> (69)
free base

>  <CAS> (69)
786725-13-1

>  <URL> (69)
N/A

$$$$
WAY-629450-A
csChFnd80/05212110122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C16H17NO

>  <MolWeight> (70)
239.31228

>  <Cat> (70)
P3659

>  <Name> (70)
WAY-629450-A

>  <Synonyms> (70)
N/A

>  <Target> (70)
HDAC

>  <Form> (70)
free base

>  <CAS> (70)
851901-67-2

>  <URL> (70)
N/A

$$$$
CL-224747
csChFnd80/05212110122D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C9H8N2O

>  <MolWeight> (71)
160.17262

>  <Cat> (71)
P3539

>  <Name> (71)
CL-224747

>  <Synonyms> (71)
N/A

>  <Target> (71)
PARP

>  <Form> (71)
free base

>  <CAS> (71)
802981-45-9

>  <URL> (71)
N/A

$$$$
WAY-339491
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C21H17N3O3S

>  <MolWeight> (72)
391.44298

>  <Cat> (72)
P3624

>  <Name> (72)
WAY-339491

>  <Synonyms> (72)
N/A

>  <Target> (72)
histone acetyl transferase,sirtuin

>  <Form> (72)
free base

>  <CAS> (72)
863589-21-3

>  <URL> (72)
N/A

$$$$
WAY-339495
csChFnd80/05212110122D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  2  0  0  0  0
 22 19  2  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
  6  8  1  0  0  0  0
 13 25  2  0  0  0  0
 28 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C21H17N3O3S

>  <MolWeight> (73)
391.44298

>  <Cat> (73)
P3625

>  <Name> (73)
WAY-339495

>  <Synonyms> (73)
N/A

>  <Target> (73)
histone acetyl transferase,sirtuin

>  <Form> (73)
free base

>  <CAS> (73)
863589-28-0

>  <URL> (73)
N/A

$$$$
WAY-339500
csChFnd80/05212110122D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2214    6.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6650    7.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3968    6.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    5.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2757    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026    9.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2343    8.6648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    6.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    6.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    8.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069    6.6858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    7.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    8.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7274    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7848    7.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9554    7.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    8.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 16 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 11  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C21H17N3O3S

>  <MolWeight> (74)
391.44298

>  <Cat> (74)
P3626

>  <Name> (74)
WAY-339500

>  <Synonyms> (74)
N/A

>  <Target> (74)
histone acetyl transferase,sirtuin

>  <Form> (74)
free base

>  <CAS> (74)
863589-44-0

>  <URL> (74)
N/A

$$$$
WAY-339503
csChFnd80/05212110122D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
  4  6  1  0  0  0  0
 11 23  2  0  0  0  0
 26 22  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C20H15N3O2S

>  <MolWeight> (75)
361.417

>  <Cat> (75)
P3627

>  <Name> (75)
WAY-339503

>  <Synonyms> (75)
N/A

>  <Target> (75)
histone acetyl transferase,sirtuin

>  <Form> (75)
free base

>  <CAS> (75)
863589-52-0

>  <URL> (75)
N/A

$$$$
WAY-613308
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5083    0.3000    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  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  7  3  2  0  0  0  0
  9 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C18H14O4

>  <MolWeight> (76)
294.30136

>  <Cat> (76)
P3651

>  <Name> (76)
WAY-613308

>  <Synonyms> (76)
N/A

>  <Target> (76)
HDAC

>  <Form> (76)
free base

>  <CAS> (76)
503040-22-0

>  <URL> (76)
N/A

$$$$
WAY-613419
csChFnd80/05212110122D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -1.1048   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    2.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C9H8N2OS

>  <MolWeight> (77)
192.23762

>  <Cat> (77)
P3652

>  <Name> (77)
WAY-613419

>  <Synonyms> (77)
N/A

>  <Target> (77)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (77)
free base

>  <CAS> (77)
14346-25-9

>  <URL> (77)
N/A

$$$$
WAY-630921
csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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N/A

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WAY-631668
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N/A

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WAY-631878
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N/A

$$$$
WAY-650876
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N/A

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WAY-270360
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M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C22H19N3O3

>  <MolWeight> (82)
373.40456

>  <Cat> (82)
P3549

>  <Name> (82)
WAY-270360

>  <Synonyms> (82)
N/A

>  <Target> (82)
histone acetyl transferase,sirtuin

>  <Form> (82)
free base

>  <CAS> (82)
476633-98-4

>  <URL> (82)
N/A

$$$$
WAY-270374
csChFnd80/05212110122D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
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 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
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 23 22  1  0  0  0  0
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 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C15H14F2N2O3S

>  <MolWeight> (83)
340.3450664

>  <Cat> (83)
P3550

>  <Name> (83)
WAY-270374

>  <Synonyms> (83)
N/A

>  <Target> (83)
microRNA

>  <Form> (83)
free base

>  <CAS> (83)
476643-66-0

>  <URL> (83)
N/A

$$$$
WAY-270603
csChFnd80/05212110122D

 30 33  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 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
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 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 10  9  2  0  0  0  0
 22 18  2  0  0  0  0
 29 30  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C23H21N3O4

>  <MolWeight> (84)
403.43054

>  <Cat> (84)
P3552

>  <Name> (84)
WAY-270603

>  <Synonyms> (84)
N/A

>  <Target> (84)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (84)
free base

>  <CAS> (84)
303141-65-3

>  <URL> (84)
N/A

$$$$
WAY-601310
csChFnd80/05212110122D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 15 12  1  0  0  0  0
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 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
  6 12  2  0  0  0  0
 11  5  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  3  8  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C11H9N3O

>  <MolWeight> (85)
199.20866

>  <Cat> (85)
P3643

>  <Name> (85)
WAY-601310

>  <Synonyms> (85)
N/A

>  <Target> (85)
PARP

>  <Form> (85)
free base

>  <CAS> (85)
25468-50-2

>  <URL> (85)
N/A

$$$$
WAY-601411
csChFnd80/05212110122D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 13  7  2  0  0  0  0
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 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 19  1  0  0  0  0
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 29 18  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
  5  4  2  0  0  0  0
 25 16  1  0  0  0  0
 31 30  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C23H26N4O4

>  <MolWeight> (86)
422.47694

>  <Cat> (86)
P3644

>  <Name> (86)
WAY-601411

>  <Synonyms> (86)
N/A

>  <Target> (86)
HAT,sirtuin

>  <Form> (86)
free base

>  <CAS> (86)
717120-17-7

>  <URL> (86)
N/A

$$$$
WAY-601037-A
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C22H26N2O

>  <MolWeight> (87)
334.45464

>  <Cat> (87)
P3641

>  <Name> (87)
WAY-601037

>  <Synonyms> (87)
N/A

>  <Target> (87)
DNA Methyltransferase 1

>  <Form> (87)
free base

>  <CAS> (87)
300590-63-0

>  <URL> (87)
N/A

$$$$
WAY-601116
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C23H18N2O4

>  <MolWeight> (88)
386.40002

>  <Cat> (88)
P3642

>  <Name> (88)
WAY-601116

>  <Synonyms> (88)
N/A

>  <Target> (88)
microRNA

>  <Form> (88)
free base

>  <CAS> (88)
353763-50-5

>  <URL> (88)
N/A

$$$$
WAY-601673
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C20H26ClN3O

>  <MolWeight> (89)
359.89294

>  <Cat> (89)
P3645

>  <Name> (89)
WAY-601673

>  <Synonyms> (89)
N/A

>  <Target> (89)
HIF PHD,Prolylhydroxylase

>  <Form> (89)
free base

>  <CAS> (89)
380192-95-0

>  <URL> (89)
N/A

$$$$
WAY-615693
csChFnd80/05212110122D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
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 21 19  1  0  0  0  0
 11  7  1  0  0  0  0
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 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C21H24N4S

>  <MolWeight> (90)
364.50706

>  <Cat> (90)
P3653

>  <Name> (90)
WAY-615693

>  <Synonyms> (90)
N/A

>  <Target> (90)
MLL protein and menin interaction

>  <Form> (90)
free base

>  <CAS> (90)
568575-51-9

>  <URL> (90)
N/A

$$$$
WAY-632889
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C18H11BrN2O4

>  <MolWeight> (91)
399.19494

>  <Cat> (91)
P3663

>  <Name> (91)
WAY-632889

>  <Synonyms> (91)
N/A

>  <Target> (91)
microRNA

>  <Form> (91)
free base

>  <CAS> (91)
784169-89-7

>  <URL> (91)
N/A

$$$$
WAY-633558
csChFnd80/05212110122D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C15H15N5S

>  <MolWeight> (92)
297.3781

>  <Cat> (92)
P3664

>  <Name> (92)
WAY-633558

>  <Synonyms> (92)
N/A

>  <Target> (92)
MLL protein and menin interaction

>  <Form> (92)
free base

>  <CAS> (92)
786715-29-5

>  <URL> (92)
N/A

$$$$
WAY-652291
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 15  5  2  0  0  0  0
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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C18H17N3O4

>  <MolWeight> (93)
339.34528

>  <Cat> (93)
P3671

>  <Name> (93)
WAY-652291

>  <Synonyms> (93)
N/A

>  <Target> (93)
BET Bromodomain

>  <Form> (93)
free base

>  <CAS> (93)
854137-39-6

>  <URL> (93)
N/A

$$$$
WAY-652941
csChFnd80/05212110122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  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 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
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 22  9  1  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C19H20N4O4S

>  <MolWeight> (94)
400.4515

>  <Cat> (94)
P3672

>  <Name> (94)
WAY-652941

>  <Synonyms> (94)
N/A

>  <Target> (94)
PARP,Rac1

>  <Form> (94)
free base

>  <CAS> (94)
854022-49-4

>  <URL> (94)
N/A

$$$$
WAY-271933
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
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 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C15H15N5O2S

>  <MolWeight> (95)
329.3769

>  <Cat> (95)
P3553

>  <Name> (95)
WAY-271933

>  <Synonyms> (95)
N/A

>  <Target> (95)
DOT1L

>  <Form> (95)
free base

>  <CAS> (95)
612525-79-8

>  <URL> (95)
N/A

$$$$
WAY-272124
csChFnd80/05212110122D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
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 13  4  1  0  0  0  0
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 15  7  1  0  0  0  0
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 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
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 25  9  1  0  0  0  0
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 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C24H23N3O4

>  <MolWeight> (96)
417.45712

>  <Cat> (96)
P3554

>  <Name> (96)
WAY-272124

>  <Synonyms> (96)
N/A

>  <Target> (96)
histone acetyl transferase,sirtuin

>  <Form> (96)
free base

>  <CAS> (96)
694469-31-3

>  <URL> (96)
N/A

$$$$
WAY-272172
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   10.4875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4750    6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    6.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   11.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6417    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  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  4  5  1  0  0  0  0
 17 14  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C17H18N2O3S

>  <MolWeight> (97)
330.40142

>  <Cat> (97)
P3555

>  <Name> (97)
WAY-272172

>  <Synonyms> (97)
N/A

>  <Target> (97)
microRNA

>  <Form> (97)
free base

>  <CAS> (97)
702650-31-5

>  <URL> (97)
N/A

$$$$
WAY-272277
csChFnd80/05212110122D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.5358    6.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    6.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    5.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    7.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2761    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5912    7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7996    7.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4684    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2343    7.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    8.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    9.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   11.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   10.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   11.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   11.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   10.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4123   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   11.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   10.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8930   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   11.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 16 31  1  0  0  0  0
 27 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C24H23N3O4

>  <MolWeight> (98)
417.45712

>  <Cat> (98)
P3556

>  <Name> (98)
WAY-272277

>  <Synonyms> (98)
N/A

>  <Target> (98)
histone acetyl transferase,sirtuin

>  <Form> (98)
free base

>  <CAS> (98)
708995-11-3

>  <URL> (98)
N/A

$$$$
WAY-320144
csChFnd80/05212110122D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3962    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    0.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5659   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6142   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038   -2.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6038   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -3.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 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
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (99)
99

>  <Formula> (99)
C23H21N3O4

>  <MolWeight> (99)
403.43054

>  <Cat> (99)
P3595

>  <Name> (99)
WAY-320144

>  <Synonyms> (99)
N/A

>  <Target> (99)
histone acetyl transferase,sirtuin

>  <Form> (99)
free base

>  <CAS> (99)
313275-18-2

>  <URL> (99)
N/A

$$$$
WAY-320391
csChFnd80/05212110122D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.2500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -4.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.2542    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  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
  8  7  1  0  0  0  0
 16 15  1  0  0  0  0
  9  4  1  0  0  0  0
 14 12  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C20H18ClN3O2S

>  <MolWeight> (100)
399.89382

>  <Cat> (100)
P3596

>  <Name> (100)
WAY-320391

>  <Synonyms> (100)
N/A

>  <Target> (100)
DNA Methyltransferase 1

>  <Form> (100)
free base

>  <CAS> (100)
488825-25-8

>  <URL> (100)
N/A

$$$$
WAY-601986
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6375    1.1625    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  5  1  0  0  0  0
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M  END
>  <Mol_ID> (101)
101

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C19H14N4OS

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346.40566

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P3646

>  <Name> (101)
WAY-601986

>  <Synonyms> (101)
N/A

>  <Target> (101)
PARP

>  <Form> (101)
free base

>  <CAS> (101)
375394-80-2

>  <URL> (101)
N/A

$$$$
WAY-603231
csChFnd80/05212110122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
102

>  <Formula> (102)
C18H10N2O2S

>  <MolWeight> (102)
318.3492

>  <Cat> (102)
P3647

>  <Name> (102)
WAY-603231

>  <Synonyms> (102)
N/A

>  <Target> (102)
sirtuin,HAT

>  <Form> (102)
free base

>  <CAS> (102)
327104-77-8

>  <URL> (102)
N/A

$$$$
SD-57881
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
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 19  7  1  0  0  0  0
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M  END
>  <Mol_ID> (103)
103

>  <Formula> (103)
C15H13N3O3S2

>  <MolWeight> (103)
347.41202

>  <Cat> (103)
P3544

>  <Name> (103)
SD-57881

>  <Synonyms> (103)
N/A

>  <Target> (103)
zinc metalloenzyme

>  <Form> (103)
free base

>  <CAS> (103)
349415-77-6

>  <URL> (103)
N/A

$$$$
WAY-320884
csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 18  3  1  0  0  0  0
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M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C16H19N3O4S

>  <MolWeight> (104)
349.40476

>  <Cat> (104)
P3597

>  <Name> (104)
WAY-320884

>  <Synonyms> (104)
N/A

>  <Target> (104)
sirtuin 5

>  <Form> (104)
free base

>  <CAS> (104)
450356-20-4

>  <URL> (104)
N/A

$$$$
WAY-321539
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
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 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C15H15N5O2

>  <MolWeight> (105)
297.3119

>  <Cat> (105)
P3598

>  <Name> (105)
WAY-321539

>  <Synonyms> (105)
N/A

>  <Target> (105)
STAT3

>  <Form> (105)
free base

>  <CAS> (105)
332074-13-2

>  <URL> (105)
N/A

$$$$
WAY-321927
csChFnd80/05212110122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
 19 16  1  0  0  0  0
 20 24  2  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  5 10  1  0  0  0  0
  7  4  2  0  0  0  0
 31 27  2  0  0  0  0
 13 18  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C25H25N5O

>  <MolWeight> (106)
411.4989

>  <Cat> (106)
P3599

>  <Name> (106)
WAY-321927

>  <Synonyms> (106)
N/A

>  <Target> (106)
EZH2

>  <Form> (106)
free base

>  <CAS> (106)
342780-77-2

>  <URL> (106)
N/A

$$$$
WAY-321944
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6143   -0.7624    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
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C17H16N2O3

>  <MolWeight> (107)
296.32054

>  <Cat> (107)
P3600

>  <Name> (107)
WAY-321944

>  <Synonyms> (107)
N/A

>  <Target> (107)
BRD4,Anti-infection

>  <Form> (107)
free base

>  <CAS> (107)
10001-31-7

>  <URL> (107)
N/A

$$$$
WAY-322593
csChFnd80/05212110122D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8681    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8681    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0115    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8471    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
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  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 10  4  1  0  0  0  0
  3  5  2  0  0  0  0
 17 20  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C19H17ClN2O

>  <MolWeight> (108)
324.80408

>  <Cat> (108)
P3601

>  <Name> (108)
WAY-322593

>  <Synonyms> (108)
N/A

>  <Target> (108)
HIF PHD,apoptosis

>  <Form> (108)
free base

>  <CAS> (108)
501017-82-9

>  <URL> (108)
N/A

$$$$
WAY-322757
csChFnd80/05212110122D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.0792   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3667   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
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  5  6  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  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 26  1  0  0  0  0
 18  9  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
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 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
 14 23  2  0  0  0  0
 33 32  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C25H21N5O3

>  <MolWeight> (109)
439.46594

>  <Cat> (109)
P3602

>  <Name> (109)
WAY-322757

>  <Synonyms> (109)
N/A

>  <Target> (109)
MLL-menin interaction

>  <Form> (109)
free base

>  <CAS> (109)
683806-57-7

>  <URL> (109)
N/A

$$$$
WAY-323061
csChFnd80/05212110122D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.9292    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 12  1  0  0  0  0
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 20  6  1  0  0  0  0
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 27 19  2  0  0  0  0
 28 20  2  0  0  0  0
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  6  5  2  0  0  0  0
  9  7  2  0  0  0  0
 28 27  1  0  0  0  0
 32 33  2  0  0  0  0
 30 23  2  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C25H21N5O2S

>  <MolWeight> (110)
455.53154

>  <Cat> (110)
P3603

>  <Name> (110)
WAY-323061

>  <Synonyms> (110)
N/A

>  <Target> (110)
SIRT2

>  <Form> (110)
free base

>  <CAS> (110)
550301-63-8

>  <URL> (110)
N/A

$$$$
WAY-323062
csChFnd80/05212110122D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.9875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (111)
111

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>  <Synonyms> (111)
N/A

>  <Target> (111)
SIRT2

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free base

>  <CAS> (111)
. 522650-91-5

>  <URL> (111)
N/A

$$$$
WAY-323091
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C22H15Cl2N3O2

>  <MolWeight> (112)
424.2794

>  <Cat> (112)
P3605

>  <Name> (112)
WAY-323091

>  <Synonyms> (112)
N/A

>  <Target> (112)
PARP

>  <Form> (112)
free base

>  <CAS> (112)
684234-55-7

>  <URL> (112)
N/A

$$$$
WAY-323092
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
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>  <MolWeight> (113)
424.2794

>  <Cat> (113)
P3606

>  <Name> (113)
WAY-323092

>  <Synonyms> (113)
N/A

>  <Target> (113)
PARP

>  <Form> (113)
free base

>  <CAS> (113)
684234-56-8

>  <URL> (113)
N/A

$$$$
WAY-323093
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
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>  <MolWeight> (114)
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>  <Cat> (114)
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>  <Name> (114)
WAY-323093

>  <Synonyms> (114)
N/A

>  <Target> (114)
PARP

>  <Form> (114)
free base

>  <CAS> (114)
684234-57-9

>  <URL> (114)
N/A

$$$$
WAY-323096
csChFnd80/05212110122D

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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
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 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
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 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  6  4  1  0  0  0  0
 29 25  1  0  0  0  0
 16 19  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C22H15ClFN3O2

>  <MolWeight> (115)
407.8248032

>  <Cat> (115)
P3608

>  <Name> (115)
WAY-323096

>  <Synonyms> (115)
N/A

>  <Target> (115)
PARP

>  <Form> (115)
free base

>  <CAS> (115)
684234-60-4

>  <URL> (115)
N/A

$$$$
WAY-394670
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 20  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 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
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C19H14N4OS

>  <MolWeight> (116)
346.40566

>  <Cat> (116)
P3640

>  <Name> (116)
WAY-394670

>  <Synonyms> (116)
N/A

>  <Target> (116)
PARP

>  <Form> (116)
free base

>  <CAS> (116)
378786-16-4

>  <URL> (116)
N/A

$$$$
WAY-603656
csChFnd80/05212110122D

 16 18  0  0  0  0  0  0  0  0999 V2000
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   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
  5  8  2  0  0  0  0
 10  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C11H8N2OS2

>  <MolWeight> (117)
248.32402

>  <Cat> (117)
P3648

>  <Name> (117)
WAY-603656

>  <Synonyms> (117)
N/A

>  <Target> (117)
histone acetyltransferases,Nox enzyme

>  <Form> (117)
free base

>  <CAS> (117)
717118-15-5

>  <URL> (117)
N/A

$$$$
WAY-603657
csChFnd80/05212110122D

 19 22  0  0  0  0  0  0  0  0999 V2000
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   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
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  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  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
  6  8  2  0  0  0  0
 10  9  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C14H8N2OS2

>  <MolWeight> (118)
284.35612

>  <Cat> (118)
P3649

>  <Name> (118)
WAY-603657

>  <Synonyms> (118)
N/A

>  <Target> (118)
histone acetyltransferases

>  <Form> (118)
free base

>  <CAS> (118)
100527-13-7

>  <URL> (118)
N/A

$$$$
WAY-638078
csChFnd80/05212110122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 14  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  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  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
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 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  2  0  0  0  0
 23 17  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C20H22N4O2

>  <MolWeight> (119)
350.41428

>  <Cat> (119)
P3665

>  <Name> (119)
WAY-638078

>  <Synonyms> (119)
N/A

>  <Target> (119)
PARP

>  <Form> (119)
free base

>  <CAS> (119)
794562-86-0

>  <URL> (119)
N/A

$$$$
WAY-655845
csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
120

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C17H21N3O3S2

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379.49694

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N/A

>  <Target> (120)
SIRT2

>  <Form> (120)
free base

>  <CAS> (120)
865267-78-3

>  <URL> (120)
N/A

$$$$
WAY-657361
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (121)
121

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C17H15N3O4

>  <MolWeight> (121)
325.3187

>  <Cat> (121)
P3674

>  <Name> (121)
WAY-657361

>  <Synonyms> (121)
N/A

>  <Target> (121)
BET Bromodomain

>  <Form> (121)
free base

>  <CAS> (121)
852957-78-9

>  <URL> (121)
N/A

$$$$
WAY-323744
csChFnd80/05212110122D

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 10 20  1  0  0  0  0
 11  4  2  0  0  0  0
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M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C20H15N3O5S

>  <MolWeight> (122)
409.4152

>  <Cat> (122)
P3609

>  <Name> (122)
WAY-323744

>  <Synonyms> (122)
N/A

>  <Target> (122)
EZH2

>  <Form> (122)
free base

>  <CAS> (122)
854134-90-0

>  <URL> (122)
N/A

$$$$
WAY-324030
csChFnd80/05212110122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C15H16N2O

>  <MolWeight> (123)
240.30034

>  <Cat> (123)
P3610

>  <Name> (123)
WAY-324030

>  <Synonyms> (123)
N/A

>  <Target> (123)
CBP/EP300 

>  <Form> (123)
free base

>  <CAS> (123)
92579-34-5

>  <URL> (123)
N/A

$$$$
WAY-324142
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C19H15N3O2S

>  <MolWeight> (124)
349.4063

>  <Cat> (124)
P3611

>  <Name> (124)
WAY-324142

>  <Synonyms> (124)
N/A

>  <Target> (124)
HAT,sirtuin

>  <Form> (124)
free base

>  <CAS> (124)
667910-69-2

>  <URL> (124)
N/A

$$$$
WAY-324168
csChFnd80/05212110122D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
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N/A

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microtubule

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free base

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663214-48-0

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N/A

$$$$
WAY-324205
csChFnd80/05212110122D

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M  END
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126

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WAY-324205

>  <Synonyms> (126)
N/A

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SIRT2

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free base

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1005095-05-5

>  <URL> (126)
N/A

$$$$
WAY-324359
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (127)
127

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WAY-324359

>  <Synonyms> (127)
N/A

>  <Target> (127)
PARP

>  <Form> (127)
free base

>  <CAS> (127)
836640-15-4

>  <URL> (127)
N/A

$$$$
WAY-324979
csChFnd80/05212110122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
128

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C14H13ClN4S

>  <MolWeight> (128)
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>  <Name> (128)
WAY-324979

>  <Synonyms> (128)
N/A

>  <Target> (128)
MicroRNA

>  <Form> (128)
free base

>  <CAS> (128)
221120-57-6

>  <URL> (128)
N/A

$$$$
WAY-620473
csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
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>  <MolWeight> (129)
328.3657

>  <Cat> (129)
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>  <Name> (129)
WAY-620473

>  <Synonyms> (129)
N/A

>  <Target> (129)
PARP-1

>  <Form> (129)
free base

>  <CAS> (129)
743451-55-0

>  <URL> (129)
N/A

$$$$
WAY-639320
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (130)
130

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C17H16N8S

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364.42754

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>  <Synonyms> (130)
N/A

>  <Target> (130)
MicroRNA

>  <Form> (130)
free base

>  <CAS> (130)
796060-12-3

>  <URL> (130)
N/A

$$$$
WAY-639432
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C21H19NO2

>  <MolWeight> (131)
317.38106

>  <Cat> (131)
P3667

>  <Name> (131)
WAY-639432

>  <Synonyms> (131)
N/A

>  <Target> (131)
EZH2

>  <Form> (131)
free base

>  <CAS> (131)
796050-78-7

>  <URL> (131)
N/A

$$$$
WAY-659224
csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
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 15  6  1  0  0  0  0
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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C16H18N2O4

>  <MolWeight> (132)
302.32512

>  <Cat> (132)
P3675

>  <Name> (132)
WAY-659224

>  <Synonyms> (132)
N/A

>  <Target> (132)
HDAC

>  <Form> (132)
free base

>  <CAS> (132)
864853-56-5

>  <URL> (132)
N/A

$$$$
WAY-326107
csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C17H16F2N4O2

>  <MolWeight> (133)
346.3313464

>  <Cat> (133)
P3618

>  <Name> (133)
WAY-326107

>  <Synonyms> (133)
N/A

>  <Target> (133)
MicroRNA

>  <Form> (133)
free base

>  <CAS> (133)
869714-54-5

>  <URL> (133)
N/A

$$$$
WAY-327520
csChFnd80/05212110122D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C17H18N4O

>  <MolWeight> (134)
294.35102

>  <Cat> (134)
P3619

>  <Name> (134)
WAY-327520

>  <Synonyms> (134)
N/A

>  <Target> (134)
BRD4-TAF1

>  <Form> (134)
free base

>  <CAS> (134)
876710-97-3

>  <URL> (134)
N/A

$$$$
WAY-608116
csChFnd80/05212110122D

 19 22  0  0  0  0  0  0  0  0999 V2000
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N/A

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WAY-641015
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851175-95-6

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N/A

$$$$
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htt

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htt

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htt

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htt

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827318-97-8

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htt

$$$$
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htt

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726169-73-9

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htt

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htt

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htt

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htt

$$$$
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>  <URL> (161)
htt

$$$$
untitled.cdx
csChFnd80/05212110122D

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Aurora Kinase

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Free Base

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722544-51-6

>  <URL> (162)
htt

$$$$
cyc116.cdx
csChFnd80/05212110122D

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163

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N/A

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Aurora Kinase, VEGFR

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Free Base

>  <CAS> (163)
693228-63-6

>  <URL> (163)
htt

$$$$
XAV-939.cdx
csChFnd80/05212110122D

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164

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S1180

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XAV-939

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N/A

>  <Target> (164)
Wnt/beta-catenin

>  <Form> (164)
Free Base

>  <CAS> (164)
284028-89-3

>  <URL> (164)
htt

$$$$
ENMD-2076.cdx
csChFnd80/05212110122D

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165

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>  <Synonyms> (165)
N/A

>  <Target> (165)
Flt, Aurora Kinase, VEGFR

>  <Form> (165)
Tartaric 

>  <CAS> (165)
934353-76-1

>  <URL> (165)
htt

$$$$
S119401 CUDC-101.cdx
csChFnd80/05212110122D

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    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  3  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C24H26N4O4

>  <MolWeight> (166)
434.48764

>  <Cat> (166)
S1194

>  <Name> (166)
CUDC-101

>  <Synonyms> (166)
N/A

>  <Target> (166)
HDAC, EGFR, HER2

>  <Form> (166)
Free Base

>  <CAS> (166)
1012054-59-9

>  <URL> (166)
htt

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/05212110122D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9786    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2856    1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2966    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    4.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1656    6.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    6.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    6.7655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  1  9  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C8H12N4O4

>  <MolWeight> (167)
228.20528

>  <Cat> (167)
S1200

>  <Name> (167)
Decitabine

>  <Synonyms> (167)
Dac

>  <Target> (167)
DNA/RNA Synthesis

>  <Form> (167)
Free Base

>  <CAS> (167)
2353-33-5

>  <URL> (167)
htt

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/05212110122D

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    7.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    8.6421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.0421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077   10.7421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953   10.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.6321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   12.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   10.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    7.9445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2775    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 26 32  1  1  0  0  0
 30 33  1  1  0  0  0
 29 34  1  1  0  0  0
 28 35  1  1  0  0  0
 22 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 36 39  2  0  0  0  0
 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C27H30ClNO11

>  <MolWeight> (168)
579.9802

>  <Cat> (168)
S1208

>  <Name> (168)
Doxorubicin 

>  <Synonyms> (168)
N/A

>  <Target> (168)
Topoisomerase

>  <Form> (168)
Hydrochlo

>  <CAS> (168)
25316-40-9

>  <URL> (168)
htt

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/05212110122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 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  2  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
  3  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C4H3FN2O2

>  <MolWeight> (169)
130.0772232

>  <Cat> (169)
S1209

>  <Name> (169)
Adrucil (Flu

>  <Synonyms> (169)
5-F

>  <Target> (169)
DNA/RNA Synthesis

>  <Form> (169)
Free Base

>  <CAS> (169)
51-21-8

>  <URL> (169)
htt

$$$$
Etoposide.cdx
csChFnd80/05212110122D

 47 53  0  0  0  0  0  0  0  0999 V2000
    6.0538    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C29H32O13

>  <MolWeight> (170)
588.55658

>  <Cat> (170)
S1225

>  <Name> (170)
Etoposide (V

>  <Synonyms> (170)
Vep

>  <Target> (170)
Topoisomerase

>  <Form> (170)
Free Base

>  <CAS> (170)
33419-42-0

>  <URL> (170)
htt

$$$$
2-Methoxyestradiol.cdx
csChFnd80/05212110122D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C19H26O3

>  <MolWeight> (171)
302.40794

>  <Cat> (171)
S1233

>  <Name> (171)
2-Methoxyest

>  <Synonyms> (171)
2-M

>  <Target> (171)
HIF

>  <Form> (171)
Free Base

>  <CAS> (171)
362-07-2

>  <URL> (171)
htt

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/05212110122D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
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  1 10  1  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C6H6N6O2

>  <MolWeight> (172)
194.15084

>  <Cat> (172)
S1237

>  <Name> (172)
Temozolomide

>  <Synonyms> (172)
Met

>  <Target> (172)
DNA/RNA Synthesis

>  <Form> (172)
Free Base

>  <CAS> (172)
85622-93-1

>  <URL> (172)
htt

$$$$
JNJ-7706621.cdx
csChFnd80/05212110122D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C15H12F2N6O3S

>  <MolWeight> (173)
394.3559864

>  <Cat> (173)
S1249

>  <Name> (173)
JNJ-7706621

>  <Synonyms> (173)
N/A

>  <Target> (173)
CDK, Aurora Kinase

>  <Form> (173)
Free Base

>  <CAS> (173)
443797-96-4

>  <URL> (173)
htt

$$$$
Nicotinamide.cdx
csChFnd80/05212110122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C6H6N2O

>  <MolWeight> (174)
122.12464

>  <Cat> (174)
S1899

>  <Name> (174)
Nicotinamide

>  <Synonyms> (174)
Nia

>  <Target> (174)
Sirtuin

>  <Form> (174)
Free Base

>  <CAS> (174)
98-92-0

>  <URL> (174)
htt

$$$$
resveratrol.cdx
csChFnd80/05212110122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C14H12O3

>  <MolWeight> (175)
228.24328

>  <Cat> (175)
S1396

>  <Name> (175)
Resveratrol

>  <Synonyms> (175)
N/A

>  <Target> (175)
Sirtuin

>  <Form> (175)
Free Base

>  <CAS> (175)
501-36-0

>  <URL> (175)
htt

$$$$
Droxinostat.cdx
csChFnd80/05212110122D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C11H14ClNO3

>  <MolWeight> (176)
243.68676

>  <Cat> (176)
S1422

>  <Name> (176)
Droxinostat

>  <Synonyms> (176)
N/A

>  <Target> (176)
HDAC 

>  <Form> (176)
Free Base

>  <CAS> (176)
99873-43-5

>  <URL> (176)
htt

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/05212110122D

 42 46  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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   13.3158    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    4.1976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 11  2  0  0  0  0
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 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
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 21 22  1  0  0  0  0
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 25 19  2  0  0  0  0
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 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C25H19ClF2N4O4

>  <MolWeight> (186)
512.8925664

>  <Cat> (186)
S1561

>  <Name> (186)
BMS 777607

>  <Synonyms> (186)
N/A

>  <Target> (186)
c-Met

>  <Form> (186)
Free Base

>  <CAS> (186)
1025720-94-8

>  <URL> (186)
htt

$$$$
Fasudil HCl.cdx
csChFnd80/05212110122D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    1.2490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C14H18ClN3O2S

>  <MolWeight> (187)
327.82962

>  <Cat> (187)
S1573

>  <Name> (187)
Fasudil HCl 

>  <Synonyms> (187)
AT-

>  <Target> (187)
ROCK

>  <Form> (187)
Hydrochlo

>  <CAS> (187)
105628-07-7

>  <URL> (187)
htt

$$$$

csChFnd80/05212110122D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C27H30Cl2F2N6O

>  <MolWeight> (188)
563.4695064

>  <Cat> (188)
S2686

>  <Name> (188)
NVP-BSK805 2

>  <Synonyms> (188)
N/A

>  <Target> (188)
JAK

>  <Form> (188)
HCl

>  <CAS> (188)
1092499-93-8 

>  <URL> (188)
htt

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/05212110122D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C16H31NaO4

>  <MolWeight> (189)
310.40471

>  <Cat> (189)
S1703

>  <Name> (189)
Divalproex s

>  <Synonyms> (189)
Dep

>  <Target> (189)
HDAC

>  <Form> (189)
Sodium Sa

>  <CAS> (189)
76584-70-8

>  <URL> (189)
htt

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/05212110122D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   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
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C5H5N5S

>  <MolWeight> (190)
167.1917

>  <Cat> (190)
S1774

>  <Name> (190)
Thioguanine

>  <Synonyms> (190)
6-T

>  <Target> (190)
Others

>  <Form> (190)
Free Base

>  <CAS> (190)
154-42-7

>  <URL> (190)
htt

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/05212110122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (191)
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Azacitidine 

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5-a

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DNA/RNA Synthesis

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Free Base

>  <CAS> (191)
320-67-2

>  <URL> (191)
htt

$$$$
VUMON (teniposide).cdx
csChFnd80/05212110122D

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>  <Mol_ID> (192)
192

>  <Formula> (192)
C32H32O13S

>  <MolWeight> (192)
656.65368

>  <Cat> (192)
S1787

>  <Name> (192)
Teniposide (

>  <Synonyms> (192)
Vum

>  <Target> (192)
Topoisomerase

>  <Form> (192)
Free Base

>  <CAS> (192)
29767-20-2

>  <URL> (192)
htt

$$$$
Baricitinib.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (193)
193

>  <Formula> (193)
C16H17N7O2S

>  <MolWeight> (193)
371.41688

>  <Cat> (193)
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>  <Name> (193)
Baricitinib 

>  <Synonyms> (193)
INC

>  <Target> (193)
JAK

>  <Form> (193)
Free Base

>  <CAS> (193)
1187594-09-7

>  <URL> (193)
htt

$$$$
Metformin hydrochloride.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (194)
194

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>  <MolWeight> (194)
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Glu

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Others

>  <Form> (194)
Hydrochlo

>  <CAS> (194)
1115-70-4

>  <URL> (194)
htt

$$$$
PCI-34051.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (195)
195

>  <Formula> (195)
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>  <MolWeight> (195)
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>  <Name> (195)
PCI-34051

>  <Synonyms> (195)
N/A

>  <Target> (195)
HDAC 

>  <Form> (195)
Free Base

>  <CAS> (195)
950762-95-5

>  <URL> (195)
htt

$$$$
RG108.cdx
csChFnd80/05212110122D

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htt

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htt

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htt

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>  <URL> (199)
htt

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htt

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htt

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732302-99-7

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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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905586-69-8

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htt

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htt

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 28 23  1  0  0  0  0
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 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C22H18O11

>  <MolWeight> (218)
458.37172

>  <Cat> (218)
S2250

>  <Name> (218)
(-)-Epigallo

>  <Synonyms> (218)
EGC

>  <Target> (218)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (218)
Free Base

>  <CAS> (218)
989-51-5

>  <URL> (218)
htt

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/05212110122D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  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
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C20H18ClNO4

>  <MolWeight> (219)
371.81422

>  <Cat> (219)
S2271

>  <Name> (219)
Berberine ch

>  <Synonyms> (219)
N/A

>  <Target> (219)
Antifection

>  <Form> (219)
chloride

>  <CAS> (219)
633-65-8

>  <URL> (219)
htt

$$$$
Chlorogenic acid.cdx
csChFnd80/05212110122D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C16H18O9

>  <MolWeight> (220)
354.30872

>  <Cat> (220)
S2280

>  <Name> (220)
Chlorogenic 

>  <Synonyms> (220)
N/A

>  <Target> (220)
Others

>  <Form> (220)
Free Base

>  <CAS> (220)
327-97-9

>  <URL> (220)
htt

$$$$
Fisetin.cdx
csChFnd80/05212110122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C15H10O6

>  <MolWeight> (221)
286.2363

>  <Cat> (221)
S2298

>  <Name> (221)
Fisetin (Fus

>  <Synonyms> (221)
Fus

>  <Target> (221)
Sirtuin

>  <Form> (221)
Free Base

>  <CAS> (221)
528-48-3

>  <URL> (221)
htt

$$$$
Myricitrin.cdx
csChFnd80/05212110122D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 29 24  1  0  0  0  0
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M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C21H20O12

>  <MolWeight> (222)
464.3763

>  <Cat> (222)
S2327

>  <Name> (222)
Myricitrin (

>  <Synonyms> (222)
Myr

>  <Target> (222)
PKC

>  <Form> (222)
Free Base

>  <CAS> (222)
17912-87-7

>  <URL> (222)
htt

$$$$
Parthenolide.cdx
csChFnd80/05212110122D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C15H20O3

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248.3175

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S2341

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Parthenolide

>  <Synonyms> (223)
N/A

>  <Target> (223)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (223)
Free Base

>  <CAS> (223)
20554-84-1

>  <URL> (223)
htt

$$$$
Quercetin dihydrate.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (224)
224

>  <Formula> (224)
C15H14O9

>  <MolWeight> (224)
338.26626

>  <Cat> (224)
S2347

>  <Name> (224)
Quercetin di

>  <Synonyms> (224)
Sop

>  <Target> (224)
Others

>  <Form> (224)
Dihydrate

>  <CAS> (224)
6151-25-3

>  <URL> (224)
htt

$$$$
Curcumol.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (225)
225

>  <Formula> (225)
C15H24O2

>  <MolWeight> (225)
236.34986

>  <Cat> (225)
S2407

>  <Name> (225)
Curcumol

>  <Synonyms> (225)
N/A

>  <Target> (225)
JAK

>  <Form> (225)
Free Base

>  <CAS> (225)
4871-97-0

>  <URL> (225)
htt

$$$$
Fenbendazole.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C15H13N3O2S

>  <MolWeight> (226)
299.34762

>  <Cat> (226)
S2468

>  <Name> (226)
Fenbendazole

>  <Synonyms> (226)
 Pa

>  <Target> (226)
Antifection

>  <Form> (226)
Free Base

>  <CAS> (226)
43210-67-9

>  <URL> (226)
htt

$$$$
PCI-32765.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (227)
227

>  <Formula> (227)
C25H24N6O2

>  <MolWeight> (227)
440.49706

>  <Cat> (227)
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>  <Name> (227)
PCI-32765 (I

>  <Synonyms> (227)
N/A

>  <Target> (227)
Src

>  <Form> (227)
Free Base

>  <CAS> (227)
936563-96-1

>  <URL> (227)
htt

$$$$
TAK-901.cdx
csChFnd80/05212110122D

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htt

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Flt, JAK, c-RET

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936091-14-4

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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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Akt

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Free Base

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937174-76-0

>  <URL> (236)
htt

$$$$
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csChFnd80/05212110122D

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Curcumin

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Dif

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NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (237)
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458-37-7

>  <URL> (237)
htt

$$$$
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Wnt/beta-catenin

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Free Base

>  <CAS> (238)
780757-88-2

>  <URL> (238)
htt

$$$$
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AMPK

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844499-71-4

>  <URL> (239)
htt

$$$$
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htt

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JAK 

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htt

$$$$
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>  <URL> (242)
htt

$$$$
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1010085-13-8

>  <URL> (243)
htt

$$$$
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csChFnd80/05212110122D

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csChFnd80/05212110122D

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 30 25  1  0  0  0  0
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 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C32H37NO12

>  <MolWeight> (258)
627.63568

>  <Cat> (258)
S1393

>  <Name> (258)
Pirarubicin

>  <Synonyms> (258)
N/A

>  <Target> (258)
Topoisomerase

>  <Form> (258)
Free Base

>  <CAS> (258)
72496-41-4

>  <URL> (258)
htt

$$$$
sodium phenylbutyrate.cdx
csChFnd80/05212110122D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C10H11NaO2

>  <MolWeight> (259)
186.18291

>  <Cat> (259)
S4125

>  <Name> (259)
Sodium Pheny

>  <Synonyms> (259)
N/A

>  <Target> (259)
HDAC

>  <Form> (259)
Sodium Sa

>  <CAS> (259)
1716-12-7

>  <URL> (259)
htt

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/05212110122D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  2 11  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C16H19N3O4S

>  <MolWeight> (260)
349.40476

>  <Cat> (260)
S2693

>  <Name> (260)
Resminostat 

>  <Synonyms> (260)
4SC

>  <Target> (260)
HDAC

>  <Form> (260)
Free Base

>  <CAS> (260)
864814-88-0

>  <URL> (260)
htt

$$$$
S4246.cdx
csChFnd80/05212110122D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2853    4.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   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
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C9H12ClNR

>  <MolWeight> (261)
169.65128

>  <Cat> (261)
S4246

>  <Name> (261)
Tranylcyprom

>  <Synonyms> (261)
N/A

>  <Target> (261)
MAO

>  <Form> (261)
Hydrochlo

>  <CAS> (261)
4548-34-9

>  <URL> (261)
htt

$$$$
Flufenamic acid.cdx
csChFnd80/05212110122D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  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
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 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C14H10F3NO2

>  <MolWeight> (262)
281.2299096

>  <Cat> (262)
S4268

>  <Name> (262)
Flufenamic a

>  <Synonyms> (262)
N/A

>  <Target> (262)
COX

>  <Form> (262)
Free Base

>  <CAS> (262)
530-78-9

>  <URL> (262)
htt

$$$$
Tenovin-6 HCl.cdx
csChFnd80/05212110122D

 33 33  0  0  0  0  0  0  0  0999 V2000
    6.0706    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8407    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    7.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8528    1.3085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
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  5 29  1  0  0  0  0
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 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C25H35ClN4O2S

>  <MolWeight> (263)
491.089

>  <Cat> (263)
S4900

>  <Name> (263)
Tenovin-6

>  <Synonyms> (263)
N/A

>  <Target> (263)
p53,Sirtuin

>  <Form> (263)
Free Base

>  <CAS> (263)
1011557-82-6

>  <URL> (263)
htt

$$$$
Procainamide hydrochloride.cdx
csChFnd80/05212110122D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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> (264)
264

>  <Formula> (264)
C13H22ClN3O

>  <MolWeight> (264)
271.78628

>  <Cat> (264)
S4294

>  <Name> (264)
Procainamide

>  <Synonyms> (264)
N/A

>  <Target> (264)
Sodium Channel

>  <Form> (264)
Hydrochlo

>  <CAS> (264)
614-39-1

>  <URL> (264)
htt

$$$$
Meclofenamate sodium.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C14H10Cl2NNaO2

>  <MolWeight> (265)
318.13047

>  <Cat> (265)
S4295

>  <Name> (265)
Meclofenamat

>  <Synonyms> (265)
N/A

>  <Target> (265)
COX

>  <Form> (265)
Sodium Sa

>  <CAS> (265)
6385-02-0

>  <URL> (265)
htt

$$$$
Daptomycin.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (266)
266

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LY1

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Others

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Free Base

>  <CAS> (266)
103060-53-3

>  <URL> (266)
htt

$$$$
R-Ruxolitinib.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (267)
267

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C17H18N6

>  <MolWeight> (267)
306.36502

>  <Cat> (267)
S1378

>  <Name> (267)
Ruxolitinib 

>  <Synonyms> (267)
N/A

>  <Target> (267)
JAK

>  <Form> (267)
Free Base

>  <CAS> (267)
941678-49-5

>  <URL> (267)
htt

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C25H31N7O6

>  <MolWeight> (268)
525.55694

>  <Cat> (268)
S2018

>  <Name> (268)
ENMD-2076 L-

>  <Synonyms> (268)
N/A

>  <Target> (268)
FLT3

>  <Form> (268)
Free Base

>  <CAS> (268)
1291074-87-7

>  <URL> (268)
htt

$$$$
S1096-JNJ26481585.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (269)
269

>  <Formula> (269)
C21H28Cl2N6O2

>  <MolWeight> (269)
467.39202

>  <Cat> (269)
S1096

>  <Name> (269)
Quisinostat 

>  <Synonyms> (269)
N/A

>  <Target> (269)
HDAC

>  <Form> (269)
Dihydroch

>  <CAS> (269)
875320-31-3

>  <URL> (269)
htt

$$$$
Danthron.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (270)
270

>  <Formula> (270)
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>  <MolWeight> (270)
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>  <Cat> (270)
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>  <Name> (270)
Danthron

>  <Synonyms> (270)
chr

>  <Target> (270)
Others

>  <Form> (270)
Free Base

>  <CAS> (270)
117-10-2

>  <URL> (270)
htt

$$$$
Pantoprazole sodium.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (271)
271

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S4538

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Pantoprazole

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SKF

>  <Target> (271)
Proton Pump

>  <Form> (271)
Free Base

>  <CAS> (271)
138786-67-1

>  <URL> (271)
htt

$$$$

csChFnd80/05212110122D

 29 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C20H28Cl3N3O3

>  <MolWeight> (272)
464.81362

>  <Cat> (272)
S4589

>  <Name> (272)
Amodiaquin (

>  <Synonyms> (272)
N/A

>  <Target> (272)
Transferase,Histone

>  <Form> (272)
dihydroch

>  <CAS> (272)
6398-98-7

>  <URL> (272)
htt

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/05212110122D

 24 25  0  0  0  0  0  0  0  0999 V2000
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C21H22ClNR

>  <MolWeight> (273)
323.85908

>  <Cat> (273)
S4635

>  <Name> (273)
Cyproheptadi

>  <Synonyms> (273)
Per

>  <Target> (273)
5-HT Receptor

>  <Form> (273)
Hydrochlo

>  <CAS> (273)
41354-29-4

>  <URL> (273)
htt

$$$$
S4609 Diflunisal.cdx
csChFnd80/05212110122D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C13H8F2O3

>  <MolWeight> (274)
250.1976264

>  <Cat> (274)
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Diflunisal

>  <Synonyms> (274)
Dol

>  <Target> (274)
COX

>  <Form> (274)
Free Base

>  <CAS> (274)
22494-42-4

>  <URL> (274)
htt

$$$$
S4668 Procaine.cdx
csChFnd80/05212110122D

 17 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (275)
275

>  <Formula> (275)
C13H20N2O2

>  <MolWeight> (275)
236.3101

>  <Cat> (275)
S4668

>  <Name> (275)
Procaine

>  <Synonyms> (275)
Pro

>  <Target> (275)
Sodium Channel

>  <Form> (275)
Free Base

>  <CAS> (275)
59-46-1

>  <URL> (275)
htt

$$$$
S4715 Benzamide.cdx
csChFnd80/05212110122D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C7H7NO

>  <MolWeight> (276)
121.13658

>  <Cat> (276)
S4715

>  <Name> (276)
Benzamide

>  <Synonyms> (276)
Sul

>  <Target> (276)
Others

>  <Form> (276)
Free Base

>  <CAS> (276)
55-21-0

>  <URL> (276)
htt

$$$$
S4710 Picolinamide.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (277)
277

>  <Formula> (277)
C6H6N2O

>  <MolWeight> (277)
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>  <Cat> (277)
S4710

>  <Name> (277)
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2-P

>  <Target> (277)
PARP

>  <Form> (277)
Free Base

>  <CAS> (277)
1452-77-3

>  <URL> (277)
htt

$$$$
MK4827.cdx
csChFnd80/05212110122D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   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
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    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  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  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
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C19H20N4O

>  <MolWeight> (278)
320.3883

>  <Cat> (278)
S2741

>  <Name> (278)
MK-4827(Nira

>  <Synonyms> (278)
N/A

>  <Target> (278)
PARP

>  <Form> (278)
Free Base

>  <CAS> (278)
1038915-60-4

>  <URL> (278)
htt

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/05212110122D

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.9455    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    3.9469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7306    5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015    5.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2033    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2082    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5410    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5096    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5927    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9119    7.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2894    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3514    8.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9134    9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    7.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7092    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860    9.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   10.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8594   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2586   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5667   10.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7261   12.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  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  1  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 32 25  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  1  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  2  0  0  0  0
 40 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C36H30O16

>  <MolWeight> (279)
718.6138

>  <Cat> (279)
S4735

>  <Name> (279)
Salvianolic 

>  <Synonyms> (279)
Lit

>  <Target> (279)
Others

>  <Form> (279)
Free Base

>  <CAS> (279)
121521-90-2

>  <URL> (279)
htt

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/05212110122D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C11H8O3

>  <MolWeight> (280)
188.17942

>  <Cat> (280)
S3661

>  <Name> (280)
2-Methoxy-1,

>  <Synonyms> (280)
N/A

>  <Target> (280)
PKC

>  <Form> (280)
free base

>  <CAS> (280)
2348-82-5

>  <URL> (280)
htt

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/05212110122D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1910    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    3.4870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    2.0754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6127    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392    4.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0358    1.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7747    2.2587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  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 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C6H14ClNO5

>  <MolWeight> (281)
215.63206

>  <Cat> (281)
S3694

>  <Name> (281)
Glucosamine 

>  <Synonyms> (281)
2-A

>  <Target> (281)
Others

>  <Form> (281)
hydrochlo

>  <CAS> (281)
66-84-2

>  <URL> (281)
htt

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/05212110122D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    2.4488    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    0.9175    0.0000 R   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  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
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
A   16
?xHCl?
A   17
?xH2O?
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C13H14N2R2

>  <MolWeight> (282)
198.26366

>  <Cat> (282)
S3639

>  <Name> (282)
Tacrine hydr

>  <Synonyms> (282)
Tac

>  <Target> (282)
cholinesterase

>  <Form> (282)
hydrochlo

>  <CAS> (282)
206658-92-6

>  <URL> (282)
htt

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/05212110122D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2131    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (283)
283

>  <Formula> (283)
C11H12O5

>  <MolWeight> (283)
224.20998

>  <Cat> (283)
S3981

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Sinapinic Ac

>  <Synonyms> (283)
Sin

>  <Target> (283)
Others

>  <Form> (283)
free base

>  <CAS> (283)
530-59-6

>  <URL> (283)
htt

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/05212110122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (284)
284

>  <Formula> (284)
C18H22O4

>  <MolWeight> (284)
302.36488

>  <Cat> (284)
S3984

>  <Name> (284)
Nordihydrogu

>  <Synonyms> (284)
N/A

>  <Target> (284)
lipoxygenase

>  <Form> (284)
free base

>  <CAS> (284)
500-38-9

>  <URL> (284)
htt

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (285)
285

>  <Formula> (285)
C19H20O5

>  <MolWeight> (285)
328.3591

>  <Cat> (285)
S3819

>  <Name> (285)
Decursinol a

>  <Synonyms> (285)
N/A

>  <Target> (285)
PKC

>  <Form> (285)
free base

>  <CAS> (285)
130848-06-5

>  <URL> (285)
htt

$$$$
S3836 6-Gingerol.cdx
csChFnd80/05212110122D

 21 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (286)
286

>  <Formula> (286)
C17H26O4

>  <MolWeight> (286)
294.38594

>  <Cat> (286)
S3836

>  <Name> (286)
6-Gingerol

>  <Synonyms> (286)
CI-

>  <Target> (286)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (286)
free base

>  <CAS> (286)
23513-14-6

>  <URL> (286)
htt

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/05212110122D

 47 52  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (287)
287

>  <Formula> (287)
C40H58O4

>  <MolWeight> (287)
602.88612

>  <Cat> (287)
S3957

>  <Name> (287)
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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C28H41N7O4

>  <MolWeight> (292)
539.66964

>  <Cat> (292)
S7353

>  <Name> (292)
EPZ004777

>  <Synonyms> (292)
N/A

>  <Target> (292)
Histone Methyltransferase

>  <Form> (292)
Free Base

>  <CAS> (292)
1338466-77-5

>  <URL> (292)
htt

$$$$
AGI5198.cdx
csChFnd80/05212110122D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C27H31FN4O2

>  <MolWeight> (293)
462.5590432

>  <Cat> (293)
S7185

>  <Name> (293)
AGI-5198

>  <Synonyms> (293)
IDH

>  <Target> (293)
Dehydrogenase

>  <Form> (293)
Free Base

>  <CAS> (293)
1355326-35-0

>  <URL> (293)
htt

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/05212110122D

 27 31  0  0  0  0  0  0  0  0999 V2000
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   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
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 16 18  1  0  0  0  0
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M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C20H16N2O5

>  <MolWeight> (294)
364.35144

>  <Cat> (294)
S3898

>  <Name> (294)
Hydroxy Camp

>  <Synonyms> (294)
10-

>  <Target> (294)
DNA topoisomerase I

>  <Form> (294)
free base

>  <CAS> (294)
64439-81-2

>  <URL> (294)
htt

$$$$
S4800 Daminozide.cdx
csChFnd80/05212110122D

 11 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C6H12N2O3

>  <MolWeight> (295)
160.17108

>  <Cat> (295)
S4800

>  <Name> (295)
Daminozide

>  <Synonyms> (295)
Ami

>  <Target> (295)
PHF8,KDM2A 

>  <Form> (295)
free base

>  <CAS> (295)
1596-84-5

>  <URL> (295)
htt

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/05212110122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5490    2.1017    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
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C10H12O2

>  <MolWeight> (296)
164.20108

>  <Cat> (296)
S4771

>  <Name> (296)
¦Â-thujaplic

>  <Synonyms> (296)
Hin

>  <Target> (296)
Others

>  <Form> (296)
free base

>  <CAS> (296)
499-44-5

>  <URL> (296)
htt

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/05212110122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C9H10N4O4

>  <MolWeight> (297)
238.2001

>  <Cat> (297)
S3988

>  <Name> (297)
Theophylline

>  <Synonyms> (297)
Ace

>  <Target> (297)
adenosine receptor

>  <Form> (297)
free base

>  <CAS> (297)
652-37-9

>  <URL> (297)
htt

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/05212110122D

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 21  6  1  0  0  0  0
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M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C32H40O8

>  <MolWeight> (298)
552.6552

>  <Cat> (298)
S3832

>  <Name> (298)
Euphorbiaste

>  <Synonyms> (298)
Eup

>  <Target> (298)
Others

>  <Form> (298)
free base

>  <CAS> (298)
28649-59-4

>  <URL> (298)
htt

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/05212110122D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C25H36Cl2N2O3

>  <MolWeight> (299)
483.47094

>  <Cat> (299)
S5020

>  <Name> (299)
Tilorone dih

>  <Synonyms> (299)
N/A

>  <Target> (299)
Anti-infection

>  <Form> (299)
dihydroch

>  <CAS> (299)
27591-69-1

>  <URL> (299)
htt

$$$$
Sodium valproate.cdx
csChFnd80/05212110122D

 11 10  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C8H15NaO2

>  <MolWeight> (300)
166.19327

>  <Cat> (300)
S1168

>  <Name> (300)
Valproic aci

>  <Synonyms> (300)
N/A

>  <Target> (300)
GABA Receptor, HDAC

>  <CAS> (300)
1069-66-5, 99

>  <URL> (300)
htt

$$$$
Methyl-Hesperidin.cdx
csChFnd80/05212110122D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C29H36O15

>  <MolWeight> (301)
624.58714

>  <Cat> (301)
S2323

>  <Name> (301)
Methyl-Hespe

>  <Form> (301)
free base

>  <CAS> (301)
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$$$$
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1146618-41-8

>  <URL> (302)
htt

$$$$
pim inhibitor I(SMI-4a).cdx
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Pim

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438190-29-5

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htt

$$$$
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1316214-52-4

>  <URL> (304)
htt

$$$$
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htt

$$$$
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PARP

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Free Base

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1048371-03-4

>  <URL> (306)
htt

$$$$
(+)-JQ1.cdx
csChFnd80/05212110122D

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307

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C23H25ClN4O2S

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(+)-JQ1

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N/A

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BET

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Free Base

>  <CAS> (307)
1268524-70-4

>  <URL> (307)
htt

$$$$
GSK J4 HCL.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (308)
308

>  <Formula> (308)
C24H28ClN5O2

>  <MolWeight> (308)
453.96442

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S7070

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GSK J4 HCl

>  <Synonyms> (308)
N/A

>  <Target> (308)
Histone Demethylase

>  <Form> (308)
Hydrochlo

>  <CAS> (308)
1373423-53-0(

>  <URL> (308)
htt

$$$$
Zebularine.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C9H12N2O5

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228.20198

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S7113

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Zebularine

>  <Synonyms> (309)
N/A

>  <Target> (309)
DNA Methyltransferase

>  <Form> (309)
Free Base

>  <CAS> (309)
654065

>  <URL> (309)
htt

$$$$
AZD 2461.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (310)
310

>  <Formula> (310)
C22H22FN3O3

>  <MolWeight> (310)
395.4267832

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S7029

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AZD2461

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N/A

>  <Target> (310)
PARP

>  <Form> (310)
Free Base

>  <CAS> (310)
1174043-16-3

>  <URL> (310)
htt

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/05212110122D

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 11 15  1  6  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C9H12ClF2N3O4

>  <MolWeight> (311)
299.6590864

>  <Cat> (311)
S1149

>  <Name> (311)
Gemcitabine 

>  <Synonyms> (311)
Gem

>  <Target> (311)
DNA/RNA Synthesis

>  <Form> (311)
Hydrochlo

>  <CAS> (311)
122111-03-9

>  <URL> (311)
htt

$$$$
Carboplatin.cdx
csChFnd80/05212110122D

 13 10  0  0  0  0  0  0  0  0999 V2000
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    3.3617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C6H12N2O4Pt

>  <MolWeight> (312)
371.24848

>  <Cat> (312)
S1215

>  <Name> (312)
Carboplatin

>  <Synonyms> (312)
Par

>  <Target> (312)
DNA/RNA Synthesis

>  <Form> (312)
Free Base

>  <CAS> (312)
41575-94-4

>  <URL> (312)
htt

$$$$
Camptothecine.cdx
csChFnd80/05212110122D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
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 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
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 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C20H16N2O4

>  <MolWeight> (313)
348.35204

>  <Cat> (313)
S1288

>  <Name> (313)
Camptothecin

>  <Synonyms> (313)
N/A

>  <Target> (313)
Topoisomerase

>  <Form> (313)
Free Base

>  <CAS> (313)
2114454

>  <URL> (313)
htt

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C16H18FN3O3

>  <MolWeight> (314)
319.3308232

>  <Cat> (314)
S1509

>  <Name> (314)
Norfloxacin 

>  <Synonyms> (314)
Chi

>  <Target> (314)
Others

>  <Form> (314)
Free Base

>  <CAS> (314)
70458-96-7

>  <URL> (314)
htt

$$$$
CCT129202.cdx
csChFnd80/05212110122D

 34 38  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 N   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
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    3.6289   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    8.5184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    9.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C23H25ClN8OS

>  <MolWeight> (315)
497.0156

>  <Cat> (315)
S1519

>  <Name> (315)
CCT129202

>  <Synonyms> (315)
N/A

>  <Target> (315)
Aurora Kinase

>  <Form> (315)
Free Base

>  <CAS> (315)
942947-93-5

>  <URL> (315)
htt

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/05212110122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C9H13N3O5

>  <MolWeight> (316)
243.21662

>  <Cat> (316)
S1648

>  <Name> (316)
Cytarabine

>  <Synonyms> (316)
N/A

>  <Target> (316)
Others

>  <Form> (316)
Free Base

>  <CAS> (316)
147-94-4

>  <URL> (316)
htt

$$$$
Sodium butyrate.cdx
csChFnd80/05212110122D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C4H7NaO2

>  <MolWeight> (317)
110.08695

>  <Cat> (317)
S1999

>  <Name> (317)
Sodium butyr

>  <Synonyms> (317)
But

>  <Target> (317)
HDAC

>  <Form> (317)
Sodium Sa

>  <CAS> (317)
156-54-7

>  <URL> (317)
htt

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/05212110122D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C8H9ClN4

>  <MolWeight> (318)
196.63686

>  <Cat> (318)
S2562

>  <Name> (318)
Hydralazine 

>  <Synonyms> (318)
Apr

>  <Target> (318)
Others

>  <Form> (318)
Hydrochlo

>  <CAS> (318)
304-20-1

>  <URL> (318)
htt

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/05212110122D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C12H20ClN3O

>  <MolWeight> (319)
257.7597

>  <Cat> (319)
S1995

>  <Name> (319)
Procarbazine

>  <Synonyms> (319)
N/A

>  <Target> (319)
DNA/RNA

>  <Form> (319)
Hydrochlo

>  <CAS> (319)
366-70-1

>  <URL> (319)
htt

$$$$
CCT137690.cdx
csChFnd80/05212110122D

 36 41  0  0  0  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
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M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C26H31BrN8O

>  <MolWeight> (320)
551.48134

>  <Cat> (320)
S2744

>  <Name> (320)
CCT137690

>  <Synonyms> (320)
N/A

>  <Target> (320)
Aurora Kinase

>  <Form> (320)
Free Base

>  <CAS> (320)
1095382-05-0

>  <URL> (320)
htt

$$$$
CPI-169.cdx
csChFnd80/05212110122D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C27H36N4O5S

>  <MolWeight> (321)
528.66354

>  <Cat> (321)
S7616

>  <Name> (321)
CPI-169

>  <Synonyms> (321)
N/A

>  <Target> (321)
Histone Methyltransferase

>  <Form> (321)
Free Base

>  <CAS> (321)
1450655-76-1

>  <URL> (321)
htt

$$$$
BI-847325.cdx
csChFnd80/05212110122D

 35 38  0  0  0  0  0  0  0  0999 V2000
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htt

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Histone Methyltransferase

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disodium 

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20324-87-2

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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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free base

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htt

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csChFnd80/05212110122D

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Epigenetic Reader Domain

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Free Base

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htt

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csChFnd80/05212110122D

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DNA Methyltransferase

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192441-08-0

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htt

$$$$
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csChFnd80/05212110122D

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Histone Methyltransferase

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Free Base

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1396772-26-1

>  <URL> (336)
htt

$$$$
GSK525762 (I-BET-762).cdx
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>  <URL> (337)
htt

$$$$
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 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C16H10BrN3O2

>  <MolWeight> (338)
356.1735

>  <Cat> (338)
S7198

>  <Name> (338)
BIO

>  <Synonyms> (338)
GSK

>  <Target> (338)
GSK-3

>  <Form> (338)
Free Base

>  <CAS> (338)
667463-62-9

>  <URL> (338)
htt

$$$$
RGFP966.cdx
csChFnd80/05212110122D

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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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 12 15  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C21H19FN4O

>  <MolWeight> (339)
362.4001632

>  <Cat> (339)
S7229

>  <Name> (339)
RGFP966

>  <Synonyms> (339)
N/A

>  <Target> (339)
HDAC

>  <Form> (339)
Free Base

>  <CAS> (339)
1396841-57-8

>  <URL> (339)
htt

$$$$
ZM39923 HCl.cdx
csChFnd80/05212110122D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    5.7377    0.0634    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
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M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C23H26ClNO

>  <MolWeight> (340)
367.91164

>  <Cat> (340)
S8004

>  <Name> (340)
ZM 39923 HCl

>  <Synonyms> (340)
N/A

>  <Target> (340)
JAK

>  <Form> (340)
HCl

>  <CAS> (340)
1021868-92-7

>  <URL> (340)
htt

$$$$
SGC 0946.cdx
csChFnd80/05212110122D

 40 43  0  0  0  0  0  0  0  0999 V2000
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 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C28H40BrN7O4

>  <MolWeight> (341)
618.5657

>  <Cat> (341)
S7079

>  <Name> (341)
SGC 0946

>  <Synonyms> (341)
N/A

>  <Target> (341)
Histone Methyltransferase

>  <Form> (341)
Free Base

>  <URL> (341)
htt

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (342)
342

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C26H27N5O5S2

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553.65308

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S7207

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Ro 31-8220 M

>  <Synonyms> (342)
Bis

>  <Target> (342)
PKC

>  <Form> (342)
Mesylate

>  <CAS> (342)
138489-18-6

>  <URL> (342)
htt

$$$$
SGI-1027.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (343)
343

>  <Formula> (343)
C27H23N7O

>  <MolWeight> (343)
461.51782

>  <Cat> (343)
S7276

>  <Name> (343)
SGI-1027

>  <Synonyms> (343)
DNA

>  <Target> (343)
DNA Methyltransferase

>  <Form> (343)
Free Base

>  <CAS> (343)
1020149-73-8

>  <URL> (343)
htt

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (344)
344

>  <Formula> (344)
C24H27Cl2N5O

>  <MolWeight> (344)
472.41008

>  <Cat> (344)
S7306

>  <Name> (344)
Dorsomorphin

>  <Synonyms> (344)
BML

>  <Target> (344)
AMPK

>  <Form> (344)
Dihydroch

>  <CAS> (344)
1219168-18-9

>  <URL> (344)
htt

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/05212110122D

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>  <Mol_ID> (345)
345

>  <Formula> (345)
C34H44N4O4

>  <MolWeight> (345)
572.73756

>  <Cat> (345)
S7128

>  <Name> (345)
Tazemetostat

>  <Synonyms> (345)
E74

>  <Target> (345)
Histone Methyltransferase

>  <Form> (345)
Free Base

>  <CAS> (345)
1403254-99-8

>  <URL> (345)
htt

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/05212110122D

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>  <Target> (349)
Histone Methyltransferase

>  <Form> (349)
Free Base

>  <CAS> (349)
1431612-23-5

>  <URL> (349)
htt

$$$$
JIB04 (NSC693627).cdx
csChFnd80/05212110122D

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350

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C17H13ClN4

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308.76492

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JIB04 (NSC69

>  <Synonyms> (350)
NSC

>  <Target> (350)
Histone demethylases

>  <Form> (350)
Free Base

>  <CAS> (350)
199596-05-9

>  <URL> (350)
htt

$$$$
MM-102.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (351)
351

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>  <Name> (351)
MM-102

>  <Synonyms> (351)
HMT

>  <Target> (351)
Histone Methyltransferase

>  <Form> (351)
Free Base

>  <CAS> (351)
1417329-24-8

>  <URL> (351)
htt

$$$$
Pacritinib (SB1518).cdx
csChFnd80/05212110122D

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>  <Mol_ID> (352)
352

>  <Formula> (352)
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>  <MolWeight> (352)
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>  <Cat> (352)
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>  <Name> (352)
Pacritinib (

>  <Synonyms> (352)
N/A

>  <Target> (352)
JAK

>  <Form> (352)
Free Base

>  <CAS> (352)
937272-79-2

>  <URL> (352)
htt

$$$$
RG2833 (RGFP109).cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C21H18F3N3O3S2

>  <MolWeight> (362)
481.5111296

>  <Cat> (362)
S7241

>  <Name> (362)
AGI-6780

>  <Synonyms> (362)
N/A

>  <Target> (362)
Dehydrogenase

>  <Form> (362)
Free Base

>  <CAS> (362)
1432660-47-3

>  <URL> (362)
htt

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C6H9NO5

>  <MolWeight> (363)
175.13936

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S7483

>  <Name> (363)
DMOG

>  <Synonyms> (363)
Dim

>  <Target> (363)
Hydroxylase

>  <Form> (363)
Free Base

>  <CAS> (363)
89464-63-1

>  <URL> (363)
htt

$$$$
OG-L002.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C15H15NO

>  <MolWeight> (364)
225.2857

>  <Cat> (364)
S7237

>  <Name> (364)
OG-L002

>  <Synonyms> (364)
N/A

>  <Target> (364)
Histone demethylases

>  <Form> (364)
Free Base

>  <CAS> (364)
1357302-64-7

>  <URL> (364)
htt

$$$$
C646.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C24H19N3O6

>  <MolWeight> (365)
445.42416

>  <Cat> (365)
S7152

>  <Name> (365)
C646

>  <Synonyms> (365)
N/A

>  <Target> (365)
Histone Acetyltransferase

>  <Form> (365)
Free Base

>  <CAS> (365)
328968-36-1

>  <URL> (365)
htt

$$$$
UNC1215.cdx
csChFnd80/05212110122D

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htt

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Wnt/beta-catenin

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838818-26-1

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htt

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IOX1.cdx
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htt

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AZD1208.cdx
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Pim

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1204144-28-4

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htt

$$$$
CX-6258 HCl .cdx
csChFnd80/05212110122D

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370

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Pim

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Hydrochlo

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1353859-00-3

>  <URL> (370)
htt

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M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C19H19N3O2

>  <MolWeight> (380)
321.37306

>  <Cat> (380)
S7315

>  <Name> (380)
PFI-3

>  <Synonyms> (380)
N/A

>  <Target> (380)
Epigenetic Reader Domain

>  <Form> (380)
Free Base

>  <URL> (380)
htt

$$$$
Tasquinimod .cdx
csChFnd80/05212110122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C20H17F3N2O4

>  <MolWeight> (381)
406.3551896

>  <Cat> (381)
S7617

>  <Name> (381)
Tasquinimod

>  <Synonyms> (381)
ABR

>  <Target> (381)
HDAC

>  <Form> (381)
Free Base

>  <CAS> (381)
254964-60-8

>  <URL> (381)
htt

$$$$
AGK 2.cdx
csChFnd80/05212110122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C23H13Cl2N3O2

>  <MolWeight> (382)
434.27422

>  <Cat> (382)
S7577

>  <Name> (382)
AGK2

>  <Synonyms> (382)
N/A

>  <Target> (382)
Sirtuin

>  <Form> (382)
Free Base

>  <CAS> (382)
304896-28-4

>  <URL> (382)
htt

$$$$
Anacardic Acid.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C22H36O3

>  <MolWeight> (383)
348.51944

>  <Cat> (383)
S7582

>  <Name> (383)
Anacardic Ac

>  <Synonyms> (383)
6-p

>  <Target> (383)
Histone Acetyltransferase

>  <Form> (383)
Free Base

>  <CAS> (383)
16611-84-0

>  <URL> (383)
htt

$$$$
Splitomicin.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C13H10O2

>  <MolWeight> (384)
198.2173

>  <Cat> (384)
S7593

>  <Name> (384)
Splitomicin

>  <Synonyms> (384)
N/A

>  <Target> (384)
Sirtuin

>  <Form> (384)
Free Base

>  <CAS> (384)
1384339

>  <URL> (384)
htt

$$$$
URMC-099.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (385)
385

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C27H27N5

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421.53678

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URMC-099

>  <Synonyms> (385)
N/A

>  <Target> (385)
Others

>  <Form> (385)
Free Base

>  <CAS> (385)
1229582-33-5

>  <URL> (385)
htt

$$$$
PFI-2.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (386)
386

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C23H25F4N3O3S

>  <MolWeight> (386)
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>  <Cat> (386)
S7294

>  <Name> (386)
PFI-2 HCl

>  <Synonyms> (386)
N/A

>  <Target> (386)
Histone Methyltransferase

>  <Form> (386)
Hydrochlo

>  <CAS> (386)
1627676-59-8

>  <URL> (386)
htt

$$$$
MI-3.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C18H25N5S2

>  <MolWeight> (387)
375.5546

>  <Cat> (387)
S7619

>  <Name> (387)
MI-3 (Menin-

>  <Synonyms> (387)
N/A

>  <Target> (387)
Histone Methyltransferase

>  <Form> (387)
Free Base

>  <CAS> (387)
1271738-59-0

>  <URL> (387)
htt

$$$$
Remodelin.cdx
csChFnd80/05212110122D

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M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C15H15BrN4S

>  <MolWeight> (388)
363.2754

>  <Cat> (388)
S7641

>  <Name> (388)
Remodelin

>  <Synonyms> (388)
N/A

>  <Target> (388)
Histone Acetyltransferase

>  <Form> (388)
hydrochlo

>  <CAS> (388)
1622921-15-6

>  <URL> (388)
htt

$$$$
G-749.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C25H25BrN6O2

>  <MolWeight> (389)
521.409

>  <Cat> (389)
S7545

>  <Name> (389)
G-749

>  <Synonyms> (389)
N/A

>  <Target> (389)
FLT3

>  <Form> (389)
Free Base

>  <CAS> (389)
1457983-28-6

>  <URL> (389)
htt

$$$$
Nedaplatin.cdx
csChFnd80/05212110122D
CFW_RXN
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A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (390)
269.11348

>  <Cat> (390)
S1826

>  <Name> (390)
Nedaplatin

>  <Synonyms> (390)
N/A

>  <Target> (390)
DNA/RNA Synthesis

>  <Form> (390)
Free Base

>  <CAS> (390)
95734-82-0

>  <URL> (390)
htt

$$$$
GF 109203X(G 6850).cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C25H24N4O2

>  <MolWeight> (391)
412.48366

>  <Cat> (391)
S7208

>  <Name> (391)
Bisindolylma

>  <Synonyms> (391)
GO 

>  <Target> (391)
PKC

>  <Form> (391)
Free Base

>  <CAS> (391)
133052-90-1

>  <URL> (391)
htt

$$$$
PJ34.cdx
csChFnd80/05212110122D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C17H18ClN3O2

>  <MolWeight> (392)
331.79672

>  <Cat> (392)
S7300

>  <Name> (392)
PJ34 hcl

>  <Synonyms> (392)
N/A

>  <Target> (392)
PARP

>  <Form> (392)
Hydrochlo

>  <CAS> (392)
344458-15-7

>  <URL> (392)
htt

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/05212110122D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C20H28ClN7O3S

>  <MolWeight> (393)
481.99942

>  <Cat> (393)
S7634

>  <Name> (393)
Cerdulatinib

>  <Synonyms> (393)
N/A

>  <Target> (393)
JAK

>  <Form> (393)
Hydrochlo

>  <CAS> (393)
1369761-01-2

>  <URL> (393)
htt

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/05212110122D

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1271738-62-5

>  <URL> (394)
htt

$$$$
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Histone Demethylase

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1423715-09-6

>  <URL> (395)
htt

$$$$
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1300031-52-0

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htt

$$$$
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>  <URL> (397)
htt

$$$$
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Histone Methyltransferase

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Free Base

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1374601-40-7

>  <URL> (398)
htt

$$$$
PX-478 2HCl.cdx
csChFnd80/05212110122D

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399

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PX-478 2HCl

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N/A

>  <Target> (399)
HIF

>  <Form> (399)
Dihydroch

>  <CAS> (399)
685898-44-6

>  <URL> (399)
htt

$$$$
Reversine.cdx
csChFnd80/05212110122D

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400

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C21H27N7O

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393.48538

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Reversine

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N/A

>  <Target> (400)
Adenosine Receptor

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Free Base

>  <CAS> (400)
656820-32-5

>  <URL> (400)
htt

$$$$
CAY10603.cdx
csChFnd80/05212110122D

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HDAC

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Free Base

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1045792-66-2

>  <URL> (401)
htt

$$$$
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csChFnd80/05212110122D

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HDAC

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1418033-25-6

>  <URL> (402)
htt

$$$$
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Rho

>  <Form> (408)
Free Base

>  <CAS> (408)
162520-00-5

>  <URL> (408)
htt

$$$$
LFM-A13.cdx
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BTK

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244240-24-2

>  <URL> (409)
htt

$$$$
UNC0379.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (410)
410

>  <Formula> (410)
C23H35N5O2

>  <MolWeight> (410)
413.5563

>  <Cat> (410)
S7570

>  <Name> (410)
UNC0379

>  <Synonyms> (410)
N/A

>  <Target> (410)
Histone Methyltransferase

>  <Form> (410)
Free Base

>  <CAS> (410)
1620401-82-2

>  <URL> (410)
htt

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (411)
411

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GSK-LSD1 2HC

>  <Synonyms> (411)
N/A

>  <Target> (411)
Histone Demethylase

>  <Form> (411)
Dihydroch

>  <CAS> (411)
1431368-48-7

>  <URL> (411)
htt

$$$$
GSK126.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (412)
412

>  <Formula> (412)
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>  <MolWeight> (412)
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>  <Cat> (412)
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>  <Name> (412)
GSK126

>  <Synonyms> (412)
N/A

>  <Target> (412)
Histone Methyltransferase

>  <Form> (412)
Free Base

>  <CAS> (412)
1346574-57-9

>  <URL> (412)
htt

$$$$
EPZ015666.cdx
csChFnd80/05212110122D

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htt

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AMPK

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Free Base

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1346607-05-3

>  <URL> (426)
htt

$$$$
ORY-1001.cdx
csChFnd80/05212110122D

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Histone Demethylase

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Dihydroch

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1431326-61-2

>  <URL> (427)
htt

$$$$
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428

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JAK

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>  <CAS> (428)
944842-54-0

>  <URL> (428)
htt

$$$$
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csChFnd80/05212110122D

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VTX

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ERK

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>  <CAS> (429)
896720-20-0

>  <URL> (429)
htt

$$$$
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430

>  <Formula> (430)
C15H18N4O5

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S8146

>  <Name> (430)
Mitomycin C

>  <Synonyms> (430)
N/A

>  <Target> (430)
DNA/RNA Synthesis

>  <Form> (430)
Free Base

>  <CAS> (430)
18451

>  <URL> (430)
htt

$$$$
NVP-TNKS656.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C27H34N4O5

>  <MolWeight> (431)
494.58266

>  <Cat> (431)
S7238

>  <Name> (431)
NVP-TNKS656

>  <Synonyms> (431)
N/A

>  <Target> (431)
PARP

>  <Form> (431)
Free Base

>  <CAS> (431)
1419949-20-4

>  <URL> (431)
htt

$$$$
FG-2216.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C12H9ClN2O4

>  <MolWeight> (432)
280.66386

>  <Cat> (432)
S7979

>  <Name> (432)
FG-2216

>  <Synonyms> (432)
N/A

>  <Target> (432)
HIF

>  <Form> (432)
Free Base

>  <CAS> (432)
223387-75-5

>  <URL> (432)
htt

$$$$
SGC707.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C16H18N4O2

>  <MolWeight> (433)
298.33972

>  <Cat> (433)
S7832

>  <Name> (433)
SGC707

>  <Synonyms> (433)
N/A

>  <Target> (433)
Histone Methyltransferase

>  <Form> (433)
Free Base

>  <CAS> (433)
1687736-54-4

>  <URL> (433)
htt

$$$$
Cucurbitacin B.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C32H46O8

>  <MolWeight> (434)
558.70284

>  <Cat> (434)
S8165

>  <Name> (434)
Cucurbitacin

>  <Synonyms> (434)
N/A

>  <Target> (434)
Microtubule Associated

>  <Form> (434)
Free Base

>  <CAS> (434)
6199-67-3

>  <URL> (434)
htt

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/05212110122D

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htt

$$$$
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htt

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GSK2879552.cdx
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Histone Demethylase

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Dihydroch

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1401966-69-5

>  <URL> (437)
htt

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/05212110122D

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>  <URL> (438)
htt

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MS023.cdx
csChFnd80/05212110122D

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439

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>  <Target> (439)
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>  <Form> (439)
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>  <CAS> (439)
1831110-54-3

>  <URL> (439)
htt

$$$$
Chaetocin.cdx
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440

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Chaetocin

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N/A

>  <Target> (440)
Histone Methyltransferase

>  <Form> (440)
Free Base

>  <CAS> (440)
28097-03-2

>  <URL> (440)
htt

$$$$
ON123300.cdx
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>  <Mol_ID> (441)
441

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ON123300

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N/A

>  <Target> (441)
CDK

>  <Form> (441)
Free Base

>  <CAS> (441)
1357470-29-1

>  <URL> (441)
htt

$$$$
AZ6102.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (442)
442

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AZ6102

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AZ-

>  <Target> (442)
PPAR

>  <Form> (442)
Free Base

>  <CAS> (442)
1645286-75-4

>  <URL> (442)
htt

$$$$
Oclacitinib maleate.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (443)
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Oclacitinib 

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PF-

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JAK

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Free Base

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1640292-55-2

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htt

$$$$
PF-CBP1.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (444)
444

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C29H37ClN4O3

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S8180

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PF-CBP1 HCL

>  <Synonyms> (444)
N/A

>  <Target> (444)
Epigenetic Reader Domain

>  <Form> (444)
Hydrochlo

>  <URL> (444)
htt

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/05212110122D

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>  <Mol_ID> (445)
445

>  <Formula> (445)
C22H28N4O2

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380.48332

>  <Cat> (445)
S8111

>  <Name> (445)
GSK591 (EPZ0

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EPZ

>  <Target> (445)
Histone Methyltransferase

>  <Form> (445)
Free Base

>  <CAS> (445)
1616391-87-7

>  <URL> (445)
htt

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/05212110122D

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>  <Mol_ID> (446)
446

>  <Formula> (446)
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N/A

>  <Target> (446)
Dehydrogenase

>  <Form> (446)
Free Base

>  <CAS> (446)
1448347-49-6

>  <URL> (446)
htt

$$$$
HLCL-61.cdx
csChFnd80/05212110122D

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Histone Methyltransferase

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Hydrochlo

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1158279-20-9

>  <URL> (447)
htt

$$$$
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GSK

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Epigenetic Reader Domain

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Free Base

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1714146-59-4

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htt

$$$$
ETC-1002.cdx
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Bem

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AMPK

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Free Base

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738606-46-7

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htt

$$$$
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csChFnd80/05212110122D

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Dehydrogenase

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>  <URL> (450)
htt

$$$$

csChFnd80/05212110122D

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451

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Histone Demethylase

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Free Base

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2098902-68-0

>  <URL> (451)
htt

$$$$
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csChFnd80/05212110122D

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htt

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htt

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htt

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N/A

>  <Target> (461)
Histone Methyltransferase

>  <Form> (461)
Free Base

>  <CAS> (461)
1793053-37-8

>  <URL> (461)
htt

$$$$
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csChFnd80/05212110122D

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Latanoprost

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Xal

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GPR

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Free Base

>  <CAS> (462)
130209-82-4

>  <URL> (462)
htt

$$$$
CPI-637.cdx
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Epigenetic Reader Domain

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Free Base

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1884712-47-3

>  <URL> (463)
htt

$$$$
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OICR-9429

>  <Synonyms> (464)
N/A

>  <Target> (464)
Histone Methyltransferase

>  <Form> (464)
Free Base

>  <CAS> (464)
1801787-56-3

>  <URL> (464)
htt

$$$$
CPI-1205.cdx
csChFnd80/05212110122D

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465

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>  <Name> (465)
CPI-1205

>  <Synonyms> (465)
CPI

>  <Target> (465)
Histone Methyltransferase

>  <Form> (465)
Free Base

>  <CAS> (465)
1621862-70-1

>  <URL> (465)
htt

$$$$

csChFnd80/05212110122D

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466

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BML210/CAY10

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N/A

>  <Target> (466)
HDAC

>  <Form> (466)
Free Base

>  <CAS> (466)
537034-17-6

>  <URL> (466)
htt

$$$$
BGP-15.cdx
csChFnd80/05212110122D

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467

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BGP-15 2HCl

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PARP

>  <Form> (467)
dihydroch

>  <CAS> (467)
66611-37-8

>  <URL> (467)
htt

$$$$
CPI-455.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (468)
468

>  <Formula> (468)
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>  <Name> (468)
CPI-455 HCl

>  <Synonyms> (468)
N/A

>  <Target> (468)
Histone Demethylase

>  <Form> (468)
hydrochlo

>  <CAS> (468)
1628208-23-0(

>  <URL> (468)
htt

$$$$
ML-7.cdx
csChFnd80/05212110122D

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Others

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hydrochlo

>  <CAS> (469)
110448-33-4

>  <URL> (469)
htt

$$$$
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UNC3866

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Fre

>  <Target> (470)
Histone Methyltransferase

>  <Form> (470)
Free Base

>  <CAS> (470)
1872382-47-2

>  <URL> (470)
htt

$$$$
MS049.cdx
csChFnd80/05212110122D

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Histone Methyltransferase

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dihydroch

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1502816-23-0(

>  <URL> (471)
htt

$$$$
STO-609.cdx
csChFnd80/05212110122D

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CaMK

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>  <URL> (472)
htt

$$$$
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Sirtuin

>  <Form> (473)
Free Base

>  <CAS> (473)
1001908-89-9

>  <URL> (473)
htt

$$$$
UNC0638.cdx
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UNC0638

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N/A

>  <Target> (474)
Histone Methyltransferase

>  <Form> (474)
Free Base

>  <CAS> (474)
1255580-76-7

>  <URL> (474)
htt

$$$$
EPZ020411.cdx
csChFnd80/05212110122D

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EPZ020411 2H

>  <Synonyms> (475)
N/A

>  <Target> (475)
Histone Methyltransferase

>  <Form> (475)
dihydroch

>  <CAS> (475)
1700663-41-7(

>  <URL> (475)
htt

$$$$
MI-463.cdx
csChFnd80/05212110122D

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>  <Formula> (476)
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S7816

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MI-463

>  <Synonyms> (476)
N/A

>  <Target> (476)
Histone Methyltransferase

>  <Form> (476)
Free Base

>  <CAS> (476)
1628317-18-9

>  <URL> (476)
htt

$$$$
RRx-001.cdx
csChFnd80/05212110122D

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RRx-001

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Dehydrogenase

>  <Form> (477)
Free Base

>  <CAS> (477)
925206-65-1

>  <URL> (477)
htt

$$$$
Thiomyristoyl.cdx
csChFnd80/05212110122D

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htt

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htt

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htt

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htt

$$$$
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HDAC

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htt

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879127-16-9

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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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hydrochlo

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htt

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Epigenetic Reader Domain

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Free Base

>  <CAS> (490)
2083627-02-3

>  <URL> (490)
htt

$$$$
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BIX 01294

>  <Synonyms> (491)
N/A

>  <Target> (491)
Histone Methyltransferase

>  <Form> (491)
trihydroc

>  <CAS> (491)
1392399-03-9

>  <URL> (491)
htt

$$$$
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csChFnd80/05212110122D

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>  <Mol_ID> (492)
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C33H34N4O3

>  <MolWeight> (492)
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>  <Cat> (492)
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>  <Name> (492)
CFI-400945

>  <Synonyms> (492)
N/A

>  <Target> (492)
PLK

>  <Form> (492)
Free Base

>  <CAS> (492)
1338806-73-7

>  <URL> (492)
htt

$$$$
Cl-amidine.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (493)
493

>  <Formula> (493)
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>  <MolWeight> (493)
424.8026096

>  <Cat> (493)
S8141

>  <Name> (493)
Cl-amidine

>  <Synonyms> (493)
N/A

>  <Target> (493)
Immunology & Inflammation related

>  <Form> (493)
trifluoro

>  <CAS> (493)
1043444-18-3

>  <URL> (493)
htt

$$$$
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csChFnd80/05212110122D

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htt

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free base

>  <CAS> (495)
1821908-48-8

>  <URL> (495)
htt

$$$$
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csChFnd80/05212110122D

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1314891-22-9

>  <URL> (496)
htt

$$$$
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>  <URL> (497)
htt

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>  <CAS> (498)
1952251-28-3

>  <URL> (498)
htt

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499

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LW 6

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N/A

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HIF-1¦Á

>  <Form> (499)
free base

>  <CAS> (499)
934593-90-5

>  <URL> (499)
htt

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/05212110122D

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>  <Mol_ID> (500)
500

>  <Formula> (500)
C22H19FN4O2

>  <MolWeight> (500)
390.4102632

>  <Cat> (500)
S8567

>  <Name> (500)
Tucidinostat

>  <Synonyms> (500)
HBI

>  <Target> (500)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (500)
free base

>  <CAS> (500)
743420-02-2

>  <URL> (500)
htt

$$$$
3-TYP.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C7H6N4

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146.14934

>  <Cat> (501)
S8628

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3-TYP

>  <Synonyms> (501)
3-(

>  <Target> (501)
SIRT3,SIRT1,SIRT2

>  <Form> (501)
free base

>  <CAS> (501)
120241-79-4

>  <URL> (501)
htt

$$$$
PF-06726304.cdx
csChFnd80/05212110122D

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>  <Mol_ID> (502)
502

>  <Formula> (502)
C22H21Cl2N3O3

>  <MolWeight> (502)
446.32644

>  <Cat> (502)
S8494

>  <Name> (502)
PF-06726304

>  <Synonyms> (502)
PF-

>  <Target> (502)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (502)
free base

>  <CAS> (502)
1616287-82-1

>  <URL> (502)
htt

$$$$
ACSS2 inhibitor.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C20H18N4O2S2

>  <MolWeight> (503)
410.51252

>  <Cat> (503)
S8588

>  <Name> (503)
ACSS2 inhibi

>  <Synonyms> (503)
N/A

>  <Target> (503)
ACSS2

>  <Form> (503)
free base

>  <CAS> (503)
508186-14-9

>  <URL> (503)
htt

$$$$
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887686-02-4

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htt

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htt

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M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C30H38N8O2

>  <MolWeight> (513)
542.67512

>  <Cat> (513)
S8607

>  <Name> (513)
JQ-EZ-05 (JQ

>  <Synonyms> (513)
N/A

>  <Target> (513)
EZH1,EZH2

>  <Form> (513)
free base

>  <CAS> (513)
1913252-04-6

>  <URL> (513)
htt

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/05212110122D

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A   23
?1.5H2O?
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C15H17FN4O3R

>  <MolWeight> (514)
320.3188832

>  <Cat> (514)
S5209

>  <Name> (514)
Enoxacin Ses

>  <Synonyms> (514)
Eno

>  <Target> (514)
Anti-infection

>  <Form> (514)
sesquihyd

>  <CAS> (514)
84294-96-2

>  <URL> (514)
htt

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C26H23F4N9O

>  <MolWeight> (515)
553.5141328

>  <Cat> (515)
S7812

>  <Name> (515)
Itacitinib (

>  <Synonyms> (515)
N/A

>  <Target> (515)
JAK

>  <Form> (515)
free base

>  <CAS> (515)
1334298-90-6

>  <URL> (515)
htt

$$$$
SNS-314.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C18H15ClN6OS2

>  <MolWeight> (516)
430.9343

>  <Cat> (516)
S8699

>  <Name> (516)
SNS-314 Mesy

>  <Synonyms> (516)
N/A

>  <Target> (516)
Aurora Kinase

>  <CAS> (516)
1057249-41-8

>  <URL> (516)
htt

$$$$
S5269 J147.cdx
csChFnd80/05212110122D

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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    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
   10.3995    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    6.1124    0.0000 F   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
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  1  0  0  0  0
  9 13  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
  4 15  1  0  0  0  0
  1  4  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C18H17F3N2O2

>  <MolWeight> (517)
350.3349896

>  <Cat> (517)
S5269

>  <Name> (517)
J147

>  <Synonyms> (517)
N/A

>  <Target> (517)
Others

>  <Form> (517)
free base

>  <CAS> (517)
1146963-51-0

>  <URL> (517)
htt

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/05212110122D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C10H16N5O8P

>  <MolWeight> (518)
365.236501

>  <Cat> (518)
S5284

>  <Name> (518)
Adenosine 5'

>  <Synonyms> (518)
5'-

>  <Target> (518)
AMPK

>  <Form> (518)
hydrate 

>  <CAS> (518)
18422-05-4

>  <URL> (518)
htt

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/05212110122D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  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
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C17H21N6O4P

>  <MolWeight> (519)
404.360201

>  <Cat> (519)
S5243

>  <Name> (519)
Ruxolitinib 

>  <Synonyms> (519)
INC

>  <Target> (519)
JAK

>  <Form> (519)
phosphate

>  <CAS> (519)
1092939-17-7

>  <URL> (519)
htt

$$$$
S5262 UNC-926.cdx
csChFnd80/05212110122D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1067    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    5.5067    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
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  2  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C16H21BrN2O

>  <MolWeight> (520)
337.25474

>  <Cat> (520)
S5262

>  <Name> (520)
UNC-926

>  <Synonyms> (520)
N/A

>  <Target> (520)
Others

>  <Form> (520)
free base

>  <CAS> (520)
1184136-10-4

>  <URL> (520)
htt

$$$$
S5449 3-Methoxybenzamide.cdx
csChFnd80/05212110122D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2184    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C8H9NO2

>  <MolWeight> (521)
151.16256

>  <Cat> (521)
S5449

>  <Name> (521)
3-Methoxyben

>  <Synonyms> (521)
3-M

>  <Target> (521)
Transferase

>  <Form> (521)
free base

>  <CAS> (521)
5813-86-5

>  <URL> (521)
htt

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/05212110122D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    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
    8.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C12H9ClO2S

>  <MolWeight> (522)
252.71666

>  <Cat> (522)
S5438

>  <Name> (522)
Biphenyl-4-s

>  <Synonyms> (522)
p-P

>  <Target> (522)
HDAC

>  <Form> (522)
free base

>  <CAS> (522)
1623-93-4

>  <URL> (522)
htt

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/05212110122D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C21H16N2O9S2

>  <MolWeight> (523)
504.48974

>  <Cat> (523)
S5445

>  <Name> (523)
AMI-1, free 

>  <Synonyms> (523)
N/A

>  <Target> (523)
Histone Methyltransferase

>  <Form> (523)
free base

>  <CAS> (523)
134-47-4

>  <URL> (523)
htt

$$$$
S5457 Curculigoside.cdx
csChFnd80/05212110122D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  2  0  0  0  0
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  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
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 26 29  1  0  0  0  0
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 29 32  1  6  0  0  0
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M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C22H26O11

>  <MolWeight> (524)
466.43524

>  <Cat> (524)
S5457

>  <Name> (524)
Curculigosid

>  <Synonyms> (524)
Cur

>  <Target> (524)
Immunology & Inflammation related

>  <Form> (524)
free base

>  <CAS> (524)
85643-19-2

>  <URL> (524)
htt

$$$$
S5458 Verbascoside.cdx
csChFnd80/05212110122D

 44 47  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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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C29H36O15

>  <MolWeight> (525)
624.58714

>  <Cat> (525)
S5458

>  <Name> (525)
Verbascoside

>  <Synonyms> (525)
Act

>  <Target> (525)
Immunology & Inflammation related

>  <Form> (525)
free base

>  <CAS> (525)
61276-17-3

>  <URL> (525)
htt

$$$$
S5554 Lanatoside C.cdx
csChFnd80/05212110122D

 72 80  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C49H76O20

>  <MolWeight> (526)
985.11574

>  <Cat> (526)
S5554

>  <Name> (526)
Lanatoside C

>  <Synonyms> (526)
N/A

>  <Target> (526)
ATPase

>  <Form> (526)
free base

>  <CAS> (526)
17575-22-3

>  <URL> (526)
htt

$$$$
S5588 Creatine.cdx
csChFnd80/05212110122D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C4H9N3O2

>  <MolWeight> (527)
131.13316

>  <Cat> (527)
S5588

>  <Name> (527)
Creatine

>  <Synonyms> (527)
Met

>  <Target> (527)
Others

>  <Form> (527)
free base

>  <CAS> (527)
57-00-1

>  <URL> (527)
htt

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/05212110122D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C20H18O6

>  <MolWeight> (528)
354.35332

>  <Cat> (528)
S3934

>  <Name> (528)
Acetyl Resve

>  <Synonyms> (528)
N/A

>  <Target> (528)
Sirt12

>  <Form> (528)
free base

>  <CAS> (528)
42206-94-0

>  <URL> (528)
htt

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/05212110122D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0  0  0  0
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 16  3  1  0  0  0  0
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 12  5  1  0  0  0  0
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 17  7  2  0  0  0  0
 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C20H24Cl3N3O

>  <MolWeight> (529)
428.78306

>  <Cat> (529)
S5500

>  <Name> (529)
Amodiaquine 

>  <Synonyms> (529)
N/A

>  <Target> (529)
HnMT

>  <Form> (529)
dihydroch

>  <CAS> (529)
69-44-3

>  <URL> (529)
htt

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/05212110122D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  2  0  0  0  0
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M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C8H6N2O

>  <MolWeight> (530)
146.14604

>  <Cat> (530)
S9360

>  <Name> (530)
4-Hydroxyqui

>  <Form> (530)
free base

>  <CAS> (530)
491-36-1

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/05212110122D

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C34H42O19

>  <MolWeight> (531)
754.68588

>  <Cat> (531)
S9401

>  <Name> (531)
 3,6'-Disina

>  <Form> (531)
free base

>  <CAS> (531)
139891-98-8

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C22H24NO4+

>  <MolWeight> (532)
366.43026

>  <Cat> (532)
S9431

>  <Name> (532)
Dehydrocoryd

>  <Form> (532)
free base

>  <CAS> (532)
30045-16-0

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C22H34O3

>  <MolWeight> (533)
346.50356

>  <Cat> (533)
S9432

>  <Name> (533)
Ginkgolic Ac

>  <Form> (533)
free base

>  <CAS> (533)
22910-60-7

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C20H32O3

>  <MolWeight> (534)
320.46628

>  <Cat> (534)
S9445

>  <Name> (534)
Ginkgolic Ac

>  <Form> (534)
free base

>  <CAS> (534)
20261-38-5

$$$$

csChFnd80/05212110122D

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htt

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htt

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csChFnd80/05212110122D

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htt

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14513-15-6

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htt

$$$$

csChFnd80/05212110122D

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542

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S5914

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AK 7

>  <Synonyms> (542)
N/A

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Sirtuin

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Free Base

>  <CAS> (542)
420831-40-9

>  <URL> (542)
htt

$$$$

csChFnd80/05212110122D

 29 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (543)
543

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394.46684

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N/A

>  <Target> (543)
Epigenetic Reader Do

>  <Form> (543)
Free Base

>  <CAS> (543)
901245-65-6

>  <URL> (543)
htt

$$$$

csChFnd80/05212110122D

 29 33  0  0  0  0  0  0  0  0999 V2000
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GLP

>  <Target> (544)
JAK

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>  <CAS> (544)
1206163-45-2

>  <URL> (544)
htt

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csChFnd80/05212110122D

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>  <URL> (545)
htt

$$$$

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546

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383.3416896

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S8352

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1672665-49-4

>  <URL> (546)
htt

$$$$

csChFnd80/05212110122D

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 10  5  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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>  <Mol_ID> (547)
547

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C17H13ClNO5P

>  <MolWeight> (547)
377.715581

>  <Cat> (547)
S8409

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KG-501 (2-na

>  <Synonyms> (547)
N/A

>  <Target> (547)
Epigenetic Reader Do

>  <Form> (547)
Free Base

>  <CAS> (547)
18228-17-6

>  <URL> (547)
htt

$$$$

csChFnd80/05212110122D

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 12  6  1  0  0  0  0
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 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C16H15FN4O

>  <MolWeight> (548)
298.3149032

>  <Cat> (548)
S8592

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>  <Synonyms> (548)
N/A

>  <Target> (548)
PARP

>  <Form> (548)
Free Base

>  <CAS> (548)
1446261-44-4

>  <URL> (548)
htt

$$$$

csChFnd80/05212110122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (549)
549

>  <Formula> (549)
C24H18ClN3O3

>  <MolWeight> (549)
431.87102

>  <Cat> (549)
S8654

>  <Name> (549)
ex229 (compo

>  <Synonyms> (549)
N/A

>  <Target> (549)
AMPK

>  <Form> (549)
Free Base

>  <CAS> (549)
1219739-36-2

>  <URL> (549)
htt

$$$$

csChFnd80/05212110122D

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htt

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csChFnd80/05212110122D

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551

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Free Base

>  <CAS> (551)
1820889-23-3

>  <URL> (551)
htt

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csChFnd80/05212110122D

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552

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C28H30FN3O4

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N/A

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Free Base

>  <CAS> (552)
2138861-99-9

>  <URL> (552)
htt

$$$$

csChFnd80/05212110122D

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553

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>  <Target> (553)
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>  <Form> (553)
Free Base

>  <CAS> (553)
1414943-88-6

>  <URL> (553)
htt

$$$$

csChFnd80/05212110122D

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M  END
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554

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Avitinib (AC

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N/A

>  <Target> (554)
EGFR

>  <Form> (554)
Free Base

>  <CAS> (554)
1557267-42-1

>  <URL> (554)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (555)
555

>  <Formula> (555)
C22H18N4

>  <MolWeight> (555)
338.40512

>  <Cat> (555)
S8749

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MBQ-167

>  <Synonyms> (555)
N/A

>  <Target> (555)
Rho

>  <Form> (555)
Free Base

>  <CAS> (555)
2097938-73-1

>  <URL> (555)
htt

$$$$

csChFnd80/05212110122D

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M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C16H16N4O2

>  <MolWeight> (556)
296.32384

>  <Cat> (556)
S8763

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ZL0420

>  <Synonyms> (556)
N/A

>  <Target> (556)
Epigenetic Reader Do

>  <Form> (556)
Free Base

>  <CAS> (556)
2229039-45-4

>  <URL> (556)
htt

$$$$

csChFnd80/05212110122D

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557

>  <Formula> (557)
C23H32N2O2

>  <MolWeight> (557)
368.51238

>  <Cat> (557)
S8771

>  <Name> (557)
IDF-11774

>  <Synonyms> (557)
N/A

>  <Target> (557)
HIF

>  <Form> (557)
Free Base

>  <CAS> (557)
1429054-28-3

>  <URL> (557)
htt

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/05212110122D

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558

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>  <Name> (558)
Gambogenic a

>  <Form> (558)
free base

>  <CAS> (558)
173932-75-7

$$$$
S9067 Pseudoprotodioscin.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C51H82O21

>  <MolWeight> (559)
1031.18418

>  <Cat> (559)
S9067

>  <Name> (559)
Pseudoprotod

>  <Form> (559)
free base

>  <CAS> (559)
102115-79-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/05212110122D

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M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C21H20O6

>  <MolWeight> (560)
368.3799

>  <Cat> (560)
S9080

>  <Name> (560)
Anhydroicari

>  <Form> (560)
free base

>  <CAS> (560)
118525-40-9

$$$$
S9100 Fraxinellone.cdx
csChFnd80/05212110122D

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561

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C14H16O3

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232.27504

>  <Cat> (561)
S9100

>  <Name> (561)
Fraxinellone

>  <Form> (561)
free base

>  <CAS> (561)
28808-62-0

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (562)
562

>  <Formula> (562)
C20H28O5

>  <MolWeight> (562)
348.43332

>  <Cat> (562)
S9101

>  <Name> (562)
Ingenol

>  <Form> (562)
free base

>  <CAS> (562)
30220-46-3

$$$$
S9162 Rubimaillin.cdx
csChFnd80/05212110122D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C17H16O4

>  <MolWeight> (563)
284.30654

>  <Cat> (563)
S9162

>  <Name> (563)
Rubimaillin

>  <CAS> (563)
55481-88-4

$$$$
S9189 Oroxin A.cdx
csChFnd80/05212110122D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C21H20O10

>  <MolWeight> (564)
432.3775

>  <Cat> (564)
S9189

>  <Name> (564)
Oroxin A

>  <Form> (564)
free base

>  <CAS> (564)
57396-78-8

$$$$
S9192 Vitexin.cdx
csChFnd80/05212110122D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (565)
565

>  <Formula> (565)
C21H20O10

>  <MolWeight> (565)
432.3775

>  <Cat> (565)
S9192

>  <Name> (565)
Vitexin

>  <Form> (565)
free base

>  <CAS> (565)
3681-93-4

$$$$
S9204 Oroxylin A.cdx
csChFnd80/05212110122D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (566)
566

>  <Formula> (566)
C16H12O5

>  <MolWeight> (566)
284.26348

>  <Cat> (566)
S9204

>  <Name> (566)
Oroxylin A

>  <Form> (566)
free base

>  <CAS> (566)
480-11-5

$$$$
S9230 Vaccarin.cdx
csChFnd80/05212110122D

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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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 10  5  1  0  0  0  0
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 31 30  1  1  0  0  0
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M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C32H38O19

>  <MolWeight> (567)
726.63272

>  <Cat> (567)
S9230

>  <Name> (567)
Vaccarin

>  <Form> (567)
free base

>  <CAS> (567)
53452-16-7

$$$$
S9275 Isoguanosine.cdx
csChFnd80/05212110122D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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 10 15  1  0  0  0  0
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 15 18  1  1  0  0  0
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 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C10H13N5O5

>  <MolWeight> (568)
283.24072

>  <Cat> (568)
S9275

>  <Name> (568)
Isoguanosine

>  <Form> (568)
free base

>  <CAS> (568)
1818-71-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/05212110122D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
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 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
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 26 27  1  6  0  0  0
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 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C17H26O11

>  <MolWeight> (569)
406.38174

>  <Cat> (569)
S9307

>  <Name> (569)
Shanzhiside 

>  <Form> (569)
free base

>  <CAS> (569)
64421-28-9

$$$$
S9024 AKBA.cdx
csChFnd80/05212110122D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C32H48O5

>  <MolWeight> (570)
512.72052

>  <Cat> (570)
S9024

>  <Name> (570)
AKBA

>  <CAS> (570)
67416-61-9

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/05212110122D

 11 12  0  0  0  0  0  0  0  0999 V2000
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    4.8468    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  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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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C9H8O2

>  <MolWeight> (571)
148.15862

>  <Cat> (571)
S9379

>  <Name> (571)
Dihydrocouma

>  <Form> (571)
free base

>  <CAS> (571)
119-84-6

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3904    6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6966    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640    8.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 20 16  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C20H21N3O2

>  <MolWeight> (572)
335.39964

>  <Cat> (572)
S8049

>  <Name> (572)
Tubastatin A

>  <Target> (572)
others

>  <CAS> (572)
1252003-15-8

>  <URL> (572)
htt

$$$$

csChFnd80/05212110122D

 44 42  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    8.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 13  1  0  0  0  0
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 40 41  1  0  0  0  0
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 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C26H52N6O11S

>  <MolWeight> (573)
656.78968

>  <Cat> (573)
S5742

>  <Name> (573)
Deferoxamine

>  <Synonyms> (573)
des

>  <Target> (573)
Others

>  <Form> (573)
mesylate

>  <CAS> (573)
138-14-7

>  <URL> (573)
htt

$$$$

csChFnd80/05212110122D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 11 17  1  0  0  0  0
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 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C16H20N7O6PS

>  <MolWeight> (574)
469.412061

>  <Cat> (574)
S5754

>  <Name> (574)
Baricitinib 

>  <Synonyms> (574)
INC

>  <Target> (574)
JAK

>  <Form> (574)
phosphate

>  <CAS> (574)
1187595-84-1

>  <URL> (574)
htt

$$$$

csChFnd80/05212110122D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C6H11NOS2

>  <MolWeight> (575)
177.28764

>  <Cat> (575)
S5771

>  <Name> (575)
sulforaphane

>  <Synonyms> (575)
N/A

>  <Target> (575)
Nrf2

>  <Form> (575)
Free Base

>  <CAS> (575)
4478-93-7

>  <URL> (575)
htt

$$$$

csChFnd80/05212110122D

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

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Histone Demethylase

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Free Base

>  <CAS> (576)
796-42-9

>  <URL> (576)
htt

$$$$

csChFnd80/05212110122D

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Immunology & Inflamm

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Free Base

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38520-57-9

>  <URL> (577)
htt

$$$$

csChFnd80/05212110122D

 15 15  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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>  <Mol_ID> (578)
578

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C11H15BrN2O

>  <MolWeight> (578)
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S5810

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UF010

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N/A

>  <Target> (578)
HDAC

>  <Form> (578)
Free Base

>  <CAS> (578)
537672-41-6 

>  <URL> (578)
htt

$$$$

csChFnd80/05212110122D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C15H16N2O2

>  <MolWeight> (579)
256.29974

>  <Cat> (579)
S8773

>  <Name> (579)
TH34

>  <Synonyms> (579)
N/A

>  <Target> (579)
HDAC

>  <Form> (579)
Free Base

>  <CAS> (579)
2196203-96-8

>  <URL> (579)
htt

$$$$

csChFnd80/05212110122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
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580

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>  <Cat> (580)
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>  <Synonyms> (580)
N/A

>  <Target> (580)
Histone Acetyltransf

>  <Form> (580)
Free Base

>  <CAS> (580)
2055397-28-7

>  <URL> (580)
htt

$$$$

csChFnd80/05212110122D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (581)
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>  <Target> (581)
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>  <CAS> (581)
1219737-12-8

>  <URL> (581)
htt

$$$$

csChFnd80/05212110122D

 68 71  0  0  0  0  0  0  0  0999 V2000
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htt

$$$$

csChFnd80/05212110122D

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free base

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103-26-4

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htt

$$$$

csChFnd80/05212110122D

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    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
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  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C18H20FN3O4

>  <MolWeight> (589)
361.3675032

>  <Cat> (589)
S1463

>  <Name> (589)
Ofloxacin

>  <Synonyms> (589)
DL8

>  <Target> (589)
Topoisomerase

>  <Form> (589)
Free Base

>  <CAS> (589)
82419-36-1

>  <URL> (589)
htt

$$$$

csChFnd80/05212110122D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.7741    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1953    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1868    4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868    6.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9613    6.9908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    6.3235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.2200    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  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 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C18H21F2N7O

>  <MolWeight> (590)
389.4024464

>  <Cat> (590)
S8804

>  <Name> (590)
PF-06700841

>  <Synonyms> (590)
PF-

>  <Target> (590)
JAK

>  <Form> (590)
Free Base

>  <CAS> (590)
1883299-62-4

>  <URL> (590)
htt

$$$$

csChFnd80/05212110122D

 43 46  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 20 22  2  0  0  0  0
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 26 20  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 15 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
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 35 15  1  0  0  0  0
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M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C33H31Cl2N3O5

>  <MolWeight> (591)
620.52234

>  <Cat> (591)
S8846

>  <Name> (591)
compound 3i 

>  <Synonyms> (591)
N/A

>  <Target> (591)
Epigenetic Reader Do

>  <Form> (591)
Free Base

>  <CAS> (591)
1433286-70-4

>  <URL> (591)
htt

$$$$

csChFnd80/05212110122D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C15H8O6

>  <MolWeight> (592)
284.22042

>  <Cat> (592)
S2400

>  <Name> (592)
Rheic Acid

>  <Synonyms> (592)
Rhe

>  <Target> (592)
Immunology & Inflamm

>  <Form> (592)
Free Base

>  <CAS> (592)
478-43-3

>  <URL> (592)
htt

$$$$

csChFnd80/05212110122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 17 18  2  0  0  0  0
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 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (593)
593

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N/A

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Epigenetic Reader Do

>  <Form> (593)
Free Base

>  <CAS> (593)
1300031-49-5

>  <URL> (593)
htt

$$$$

csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    2.4249    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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  7 12  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C20H22ClN3O

>  <MolWeight> (594)
355.86118

>  <Cat> (594)
S5948

>  <Name> (594)
Amodiaquine

>  <Synonyms> (594)
N/A

>  <Target> (594)
Anti-infection

>  <Form> (594)
Free Base

>  <CAS> (594)
86-42-0

>  <URL> (594)
htt

$$$$

csChFnd80/05212110122D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
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  5 10  1  1  0  0  0
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M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C6H13NO5

>  <MolWeight> (595)
179.17112

>  <Cat> (595)
S6400

>  <Name> (595)
Glucosamine

>  <Synonyms> (595)
2-a

>  <Target> (595)
Others

>  <Form> (595)
Free Base

>  <CAS> (595)
3416-24-8

>  <URL> (595)
htt

$$$$

csChFnd80/05212110122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  2  0  0  0  0
 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 17 10  1  0  0  0  0
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 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
 14 18  2  0  0  0  0
 21 14  1  0  0  0  0
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 22 15  1  0  0  0  0
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M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C23H19NO3

>  <MolWeight> (596)
357.40186

>  <Cat> (596)
S6424

>  <Name> (596)
TAS-301

>  <Synonyms> (596)
N/A

>  <Target> (596)
Others

>  <Form> (596)
Free Base

>  <CAS> (596)
193620-69-8

>  <URL> (596)
htt

$$$$

csChFnd80/05212110122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1 18  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 11  1  0  0  0  0
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  9 13  2  0  0  0  0
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 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
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 12 18  2  0  0  0  0
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 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C17H18F2N2O

>  <MolWeight> (597)
304.3344264

>  <Cat> (597)
S2132

>  <Name> (597)
SR4370

>  <Synonyms> (597)
N/A

>  <Target> (597)
HDAC

>  <Form> (597)
Free Base

>  <CAS> (597)
1816294-67-3

>  <URL> (597)
htt

$$$$

csChFnd80/05212110122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <CAS> (599)
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>  <URL> (599)
htt

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>  <MolWeight> (600)
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>  <Cat> (600)
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>  <Synonyms> (600)
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>  <Target> (600)
JAK

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>  <CAS> (600)
1443235-95-7

>  <URL> (600)
htt

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csChFnd80/05212110122D

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>  <MolWeight> (601)
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>  <Synonyms> (601)
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>  <Target> (601)
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>  <CAS> (601)
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>  <URL> (601)
htt

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htt

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    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
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 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
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 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C20H25F3N6O3

>  <MolWeight> (608)
454.4461096

>  <Cat> (608)
S6577

>  <Name> (608)
PKC-theta in

>  <Synonyms> (608)
N/A

>  <Target> (608)
PKC

>  <Form> (608)
free base

>  <CAS> (608)
736048-65-0

>  <URL> (608)
htt

$$$$

csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.7735    5.6538    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
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C18H23ClN4O

>  <MolWeight> (609)
346.85442

>  <Cat> (609)
S8438

>  <Name> (609)
T-3775440 HC

>  <Synonyms> (609)
N/A

>  <Target> (609)
Histone Demethylase

>  <Form> (609)
HCl

>  <CAS> (609)
1422535-52-1

>  <URL> (609)
htt

$$$$

csChFnd80/05212110122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C21H24N4O4

>  <MolWeight> (610)
396.43966

>  <Cat> (610)
S8743

>  <Name> (610)
SKLB-23bb

>  <Synonyms> (610)
N/A

>  <Target> (610)
HDAC

>  <Form> (610)
free base

>  <CAS> (610)
1815580-06-3

>  <URL> (610)
htt

$$$$

csChFnd80/05212110122D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
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  9 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 11 15  1  0  0  0  0
  5  6  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C14H11ClN2O4

>  <MolWeight> (611)
306.70114

>  <Cat> (611)
S6490

>  <Name> (611)
Vadadustat

>  <Synonyms> (611)
AKB

>  <Target> (611)
HIF

>  <Form> (611)
Free Base

>  <CAS> (611)
1000025-07-9

>  <URL> (611)
htt

$$$$

csChFnd80/05212110122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   11.6119    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
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  2 14  1  0  0  0  0
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  6  7  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 20 25  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C20H17FN2O3S

>  <MolWeight> (612)
384.4239832

>  <Cat> (612)
S6655

>  <Name> (612)
WM-8014

>  <Synonyms> (612)
N/A

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M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C25H19N5OS2

>  <MolWeight> (617)
469.58126

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S6744

>  <Name> (617)
Inauhzin

>  <Synonyms> (617)
N/A

>  <Target> (617)
Sirtuin

>  <Form> (617)
Free Base

>  <CAS> (617)
309271-94-1

>  <URL> (617)
htt

$$$$

csChFnd80/05212110122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C25H26N2O5

>  <MolWeight> (618)
434.48434

>  <Cat> (618)
S6745

>  <Name> (618)
JW55

>  <Synonyms> (618)
N/A

>  <Target> (618)
Wnt/beta-catenin

>  <Form> (618)
Free Base

>  <CAS> (618)
664993-53-7

>  <URL> (618)
htt

$$$$

csChFnd80/05212110122D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C27H36N2O5

>  <MolWeight> (619)
468.58514

>  <Cat> (619)
S6758

>  <Name> (619)
I-CBP112

>  <Synonyms> (619)
N/A

>  <Target> (619)
Epigenetic Reader Do

>  <Form> (619)
Free Base

>  <CAS> (619)
1640282-31-0

>  <URL> (619)
htt

$$$$

csChFnd80/05212110122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C21H25N3O4

>  <MolWeight> (620)
383.4409

>  <Cat> (620)
S2184

>  <Name> (620)
WDR5-0103

>  <Synonyms> (620)
WD-

>  <Target> (620)
Histone Methyltransferase

>  <Form> (620)
Free Base

>  <CAS> (620)
890190-22-4

>  <URL> (620)
htt

$$$$

csChFnd80/05212110122D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C18H37NO2

>  <MolWeight> (621)
299.49188

>  <Cat> (621)
S2210

>  <Name> (621)
Sphingosine

>  <Synonyms> (621)
2-a

>  <Target> (621)
Others

>  <Form> (621)
Free Base

>  <CAS> (621)
123-78-4

>  <URL> (621)
htt

$$$$

csChFnd80/05212110122D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11  6  1  6  0  0  0
M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C11H15ClN2O5

>  <MolWeight> (622)
290.7002

>  <Cat> (622)
S2935

>  <Name> (622)
Nicotinamide

>  <Synonyms> (622)
N/A

>  <Target> (622)
Others

>  <Form> (622)
Chloride

>  <CAS> (622)
23111-00-4

>  <URL> (622)
htt

$$$$

csChFnd80/05212110122D

 24 25  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  7  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 12  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C19H23N3O2

>  <MolWeight> (623)
325.40482

>  <Cat> (623)
S6548

>  <Name> (623)
NKL 22

>  <Synonyms> (623)
N/A

>  <Target> (623)
HDAC

>  <Form> (623)
Free Base

>  <CAS> (623)
537034-15-4

>  <URL> (623)
htt

$$$$

csChFnd80/05212110122D

 25 25  0  0  0  0  0  0  0  0999 V2000
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  1 25  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4 21  1  0  0  0  0
  5  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 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 17 19  1  0  0  0  0
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 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
M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C21H38N2OS

>  <MolWeight> (624)
366.60422

>  <Cat> (624)
S6687

>  <Name> (624)
SIS17

>  <Synonyms> (624)
N/A

>  <Target> (624)
HDAC

>  <Form> (624)
Free Base

>  <CAS> (624)
2374313-54-7

>  <URL> (624)
htt

$$$$

csChFnd80/05212110122D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   12.1360    4.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  2  0  0  0  0
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 32 33  2  0  0  0  0
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M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C28H38N4O3

>  <MolWeight> (625)
478.62632

>  <Cat> (625)
S8812

>  <Name> (625)
CM272(CM-272

>  <Synonyms> (625)
N/A

>  <Target> (625)
DNA Methyltransferase

>  <Form> (625)
Free Base

>  <CAS> (625)
1846570-31-7

>  <URL> (625)
htt

$$$$

csChFnd80/05212110122D

 19 22  0  0  0  0  0  0  0  0999 V2000
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 12 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C16H13N3

>  <MolWeight> (626)
247.29452

>  <Cat> (626)
S8909

>  <Name> (626)
UBCS039

>  <Synonyms> (626)
N/A

>  <Target> (626)
Sirtuin

>  <Form> (626)
Free Base

>  <CAS> (626)
358721-70-7

>  <URL> (626)
htt

$$$$

csChFnd80/05212110122D

 51 56  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C33H40O18

>  <MolWeight> (627)
724.6599

>  <Cat> (627)
S9096

>  <Name> (627)
ligustroflav

>  <Synonyms> (627)
Nue

>  <Target> (627)
AMPK

>  <Form> (627)
Free Base

>  <CAS> (627)
260413-62-5

>  <URL> (627)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (628)
628

>  <Formula> (628)
C42H66O14

>  <MolWeight> (628)
794.96504

>  <Cat> (628)
S9116

>  <Name> (628)
Chikusetsusa

>  <Synonyms> (628)
Cal

>  <Target> (628)
Immunology & Inflammation related

>  <Form> (628)
Free Base

>  <CAS> (628)
51415-02-2

>  <URL> (628)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (629)
629

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>  <Cat> (629)
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>  <Synonyms> (629)
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>  <Target> (629)
Src

>  <Form> (629)
Free Base

>  <CAS> (629)
882663-88-9

>  <URL> (629)
htt

$$$$

csChFnd80/05212110122D

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M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C15H16N6O3

>  <MolWeight> (630)
328.32594

>  <Cat> (630)
S6684

>  <Name> (630)
IOX4

>  <Synonyms> (630)
N/A

>  <Target> (630)
HIF

>  <Form> (630)
Free Base

>  <CAS> (630)
1154097-71-8

>  <URL> (630)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (631)
631

>  <Formula> (631)
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>  <MolWeight> (631)
245.2076832

>  <Cat> (631)
S2477

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2'-Deoxy-5-F

>  <Synonyms> (631)
5-f

>  <Target> (631)
DNA Methyltransferas

>  <Form> (631)
Free Base

>  <CAS> (631)
10356-76-0

>  <URL> (631)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (632)
632

>  <Formula> (632)
C46H51F3N6O8S2

>  <MolWeight> (632)
937.0577496

>  <Cat> (632)
S8953

>  <Name> (632)
ASP4132

>  <Synonyms> (632)
N/A

>  <Target> (632)
AMPK

>  <Form> (632)
Free Base

>  <CAS> (632)
1640294-30-9

>  <URL> (632)
htt

$$$$

csChFnd80/05212110122D

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htt

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htt

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635

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>  <Target> (635)
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1361951-15-6

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htt

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csChFnd80/05212110122D

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636

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2171386-10-8

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htt

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htt

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csChFnd80/05212110122D

 36 39  0  0  0  0  0  0  0  0999 V2000
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htt

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csChFnd80/05212110122D

 30 32  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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 32 34  0  0  0  0  0  0  0  0999 V2000
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1239262-52-2

>  <URL> (649)
htt

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  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
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  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C18H21N3OS

>  <MolWeight> (650)
327.44384

>  <Cat> (650)
S2176

>  <Name> (650)
Tenovin-3

>  <Target> (650)
Sirtuin

>  <Form> (650)
free base

>  <CAS> (650)
1011301-27-1

>  <URL> (650)
htt

$$$$

csChFnd80/05212110122D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   12.2725    8.6907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    7.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 27  1  0  0  0  0
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  6 10  1  0  0  0  0
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  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  1  0  0  0
  9 12  1  0  0  0  0
  9 15  1  6  0  0  0
 10 11  1  1  0  0  0
 10 16  1  0  0  0  0
 17 13  1  6  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
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 19 23  2  0  0  0  0
 20 25  1  0  0  0  0
 20 29  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C29H41ClN2O4

>  <MolWeight> (651)
517.09984

>  <Cat> (651)
S3233

>  <Name> (651)
Emetine hydr

>  <Target> (651)
HIF

>  <Form> (651)
hydrochlo

>  <CAS> (651)
14198-59-5

>  <URL> (651)
htt

$$$$

csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1117    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  1  0  0  0
  2  8  1  1  0  0  0
  4  9  1  1  0  0  0
  1 10  1  6  0  0  0
  3 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
 21 24  2  0  0  0  0
  7 25  1  0  0  0  0
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C16H18O9

>  <MolWeight> (652)
354.30872

>  <Cat> (652)
S3262

>  <Name> (652)
Scopolin

>  <Target> (652)
Sirtuin

>  <Form> (652)
free base

>  <CAS> (652)
531-44-2

>  <URL> (652)
htt

$$$$

csChFnd80/05212110122D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
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 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
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M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C27H30O15

>  <MolWeight> (653)
594.5181

>  <Cat> (653)
S3267

>  <Name> (653)
Kaempferol-3

>  <Target> (653)
Apoptosis related

>  <Form> (653)
free base

>  <CAS> (653)
17650-84-9

>  <URL> (653)
htt

$$$$

csChFnd80/05212110122D

 38 45  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 10  2  0  0  0  0
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 19  6  1  0  0  0  0
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 22 23  1  0  0  0  0
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 25 20  1  0  0  0  0
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 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C30H16O8

>  <MolWeight> (654)
504.44324

>  <Cat> (654)
S3273

>  <Name> (654)
Hypericin

>  <Target> (654)
MAO

>  <Form> (654)
free base

>  <CAS> (654)
548-04-9

>  <URL> (654)
htt

$$$$

csChFnd80/05212110122D

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  8  9  1  0  0  0  0
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  8 12  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
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 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C19H12O7

>  <MolWeight> (655)
352.29438

>  <Cat> (655)
S3289

>  <Name> (655)
Daphnoretin

>  <Target> (655)
PKC

>  <Form> (655)
free base

>  <CAS> (655)
2034-69-7

>  <URL> (655)
htt

$$$$

csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  5  7  1  0  0  0  0
  2  8  1  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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 13  8  1  0  0  0  0
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 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C16H12O6

>  <MolWeight> (656)
300.26288

>  <Cat> (656)
S3296

>  <Name> (656)
Hispidulin

>  <Target> (656)
Pim

>  <Form> (656)
free base

>  <CAS> (656)
1447-88-7

>  <URL> (656)
htt

$$$$

csChFnd80/05212110122D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
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 14  8  1  0  0  0  0
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>  <Mol_ID> (657)
657

>  <Formula> (657)
C19H18NO4+

>  <MolWeight> (657)
324.35052

>  <Cat> (657)
S3299

>  <Name> (657)
Demethyleneb

>  <Target> (657)
Peroxidases

>  <Form> (657)
free base

>  <CAS> (657)
25459-91-0

>  <URL> (657)
htt

$$$$

csChFnd80/05212110122D

 36 40  0  0  0  0  0  0  0  0999 V2000
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   14.1220    5.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 21  2  0  0  0  0
 18 23  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 11 22  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  0  0  0  0
  6 26  1  0  0  0  0
 28 29  1  0  0  0  0
  5 28  1  0  0  0  0
 30 31  1  0  0  0  0
  4 30  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 25  1  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C26H29N5O4S

>  <MolWeight> (658)
507.60456

>  <Cat> (658)
S6880

>  <Name> (658)
SRT-1460

>  <Target> (658)
Sirtuin

>  <Form> (658)
free base

>  <CAS> (658)
925432-73-1

>  <URL> (658)
htt

$$$$

csChFnd80/05212110122D

 27 31  0  0  0  0  0  0  0  0999 V2000
   12.5734    4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2734    5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6403    5.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5150    3.3629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1859    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6165    2.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630    5.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    2.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    3.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6391    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  9 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 26 27  3  0  0  0  0
 19 26  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C20H11N5OS

>  <MolWeight> (659)
369.39924

>  <Cat> (659)
S6882

>  <Name> (659)
HI-TOPK-032

>  <Target> (659)
TOPK

>  <Form> (659)
free base

>  <CAS> (659)
487020-03-1

>  <URL> (659)
htt

$$$$

csChFnd80/05212110122D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C6H6N4

>  <MolWeight> (660)
134.13864

>  <Cat> (660)
S6886

>  <Name> (660)
1-Aminobenzo

>  <Target> (660)
P450 (e.g. CYP17)

>  <Form> (660)
free base

>  <CAS> (660)
1614-12-6

>  <URL> (660)
htt

$$$$

csChFnd80/05212110122D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    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
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  2  0  0  0  0
 17 25  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 24  1  0  0  0  0
 15 16  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C15H13F3N6O2

>  <MolWeight> (661)
366.2979296

>  <Cat> (661)
S6893

>  <Name> (661)
PIN1 inhibit

>  <Target> (661)
DNA/RNA Synthesis

>  <Form> (661)
free base

>  <CAS> (661)
680622-70-2

>  <URL> (661)
htt

$$$$

csChFnd80/05212110122D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2120    4.1116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2120    2.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    2.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.7120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4209    4.8096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4209    6.2068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    4.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0648    2.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6424    3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8562    2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1916    4.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1916    2.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4006    2.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6035    2.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6035    4.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4029    4.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4036    5.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2852    6.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5969    7.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5052    8.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  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  1  0  0  0
 16  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 17  1  0  0  0  0
 10 12  1  0  0  0  0
 12  4  1  0  0  0  0
 12 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  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 16  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 26  1  0  0  0  0
 25 24  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 32  1  0  0  0  0
  1 35  1  1  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C27H32ClN5O3

>  <MolWeight> (662)
510.02768

>  <Cat> (662)
S7803

>  <Name> (662)
GSK484 HCl

>  <Target> (662)
PAD

>  <Form> (662)
hydrochlo

>  <CAS> (662)
1652591-81-5

>  <URL> (662)
htt

$$$$

csChFnd80/05212110122D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.8953    4.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8168    6.1715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6043    5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    5.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C97H144FN33O19S2

>  <MolWeight> (671)
2159.5193632

>  <Cat> (671)
S9665

>  <Name> (671)
Motixafortid

>  <Target> (671)
CXCR

>  <Form> (671)
free base

>  <CAS> (671)
664334-36-5

>  <URL> (671)
htt

$$$$

csChFnd80/05212110122D

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   10.7170    6.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7824   10.7887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5549    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C28H26N4O3

>  <MolWeight> (672)
466.53104

>  <Cat> (672)
S1421

>  <Name> (672)
Staurosporin

>  <Synonyms> (672)
CGP

>  <Target> (672)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (672)
Free Base

>  <CAS> (672)
62996-74-1

>  <URL> (672)
htt

$$$$

csChFnd80/05212110122D

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    0.0000    2.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
 11 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C15H12N2O2

>  <MolWeight> (673)
252.26798

>  <Cat> (673)
S0519

>  <Name> (673)
BYK204165

>  <Synonyms> (673)
N/A

>  <Target> (673)
PARP

>  <Form> (673)
Free Base

>  <CAS> (673)
1104546-89-5

>  <URL> (673)
htt

$$$$

csChFnd80/05212110122D

 30 32  0  0  0  0  0  0  0  0999 V2000
   19.3627    2.7975    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   14.5197    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0987    0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
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  5 22  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 25  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 23  1  0  0  0  0
 10 20  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
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 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C20H18ClN3O6

>  <MolWeight> (674)
431.82642

>  <Cat> (674)
S0729

>  <Name> (674)
TP0463518

>  <Synonyms> (674)
N/A

>  <Target> (674)
HIF

>  <Form> (674)
Free Base

>  <CAS> (674)
1558021-37-6

>  <URL> (674)
htt

$$$$

csChFnd80/05212110122D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.4734    1.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0717    5.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  2  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  2  0  0  0  0
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 14 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C20H16N2O

>  <MolWeight> (675)
300.35384

>  <Cat> (675)
S0732

>  <Name> (675)
GeA-69

>  <Synonyms> (675)
N/A

>  <Target> (675)
PARP

>  <Form> (675)
Free Base

>  <CAS> (675)
2143475-98-1

>  <URL> (675)
htt

$$$$

csChFnd80/05212110122D

 80 89  0  0  0  0  0  0  0  0999 V2000
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676

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>  <Synonyms> (676)
Dio

>  <Target> (676)
others

>  <Form> (676)
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>  <CAS> (676)
68124-04-9

>  <URL> (676)
htt

$$$$

csChFnd80/05212110122D

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>  <Synonyms> (677)
N/A

>  <Target> (677)
others

>  <Form> (677)
Free Base

>  <CAS> (677)
494753-69-4

>  <URL> (677)
htt

$$$$

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>  <Mol_ID> (678)
678

>  <Formula> (678)
C47H76O16

>  <MolWeight> (678)
897.09674

>  <Cat> (678)
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>  <Name> (678)
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>  <Synonyms> (678)
Rad

>  <Target> (678)
HDAC

>  <Form> (678)
Free Base

>  <CAS> (678)
89412-79-3

>  <URL> (678)
htt

$$$$

csChFnd80/05212110122D

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M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C19H20O5

>  <MolWeight> (679)
328.3591

>  <Cat> (679)
S9264

>  <Name> (679)
Decursin

>  <Synonyms> (679)
N/A

>  <Target> (679)
Immunology & Inflammation related

>  <Form> (679)
Free Base

>  <CAS> (679)
5928-25-6

>  <URL> (679)
htt

$$$$

csChFnd80/05212110122D

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 75 80  1  6  0  0  0
  3  7  1  0  0  0  0
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 28 39  1  0  0  0  0
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 80 67  1  0  0  0  0
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 28 40  1  0  0  0  0
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 69 85  1  6  0  0  0
 40 41  1  0  0  0  0
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 86 62  1  0  0  0  0
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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C57H92O28

>  <MolWeight> (680)
1225.32358

>  <Cat> (680)
S9304

>  <Name> (680)
Platycodin D

>  <Synonyms> (680)
N/A

>  <Target> (680)
Immunology & Inflammation related

>  <Form> (680)
Free Base

>  <CAS> (680)
58479-68-8

>  <URL> (680)
htt

$$$$

csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C16H15BrN2O5S

>  <MolWeight> (681)
427.2697

>  <Cat> (681)
S0344

>  <Name> (681)
Y06036

>  <Synonyms> (681)
N/A

>  <Target> (681)
Epigenetic Reader Domain

>  <Form> (681)
Free Base

>  <CAS> (681)
1832671-96-1

>  <URL> (681)
htt

$$$$

csChFnd80/05212110122D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
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  4 15  1  0  0  0  0
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 10 12  2  0  0  0  0
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 13 15  1  0  0  0  0
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 22 25  2  0  0  0  0
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M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C17H14Cl2N6O

>  <MolWeight> (682)
389.23866

>  <Cat> (682)
S0384

>  <Name> (682)
RO495

>  <Synonyms> (682)
CS-

>  <Target> (682)
JAK

>  <Form> (682)
Free Base

>  <CAS> (682)
1258296-60-4

>  <URL> (682)
htt

$$$$

csChFnd80/05212110122D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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  4 12  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
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 14 15  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C16H10F2N6O

>  <MolWeight> (683)
340.2870064

>  <Cat> (683)
S0411

>  <Name> (683)
BAM 15

>  <Synonyms> (683)
N/A

>  <Target> (683)
AMPK. apoptosis related

>  <Form> (683)
Free Base

>  <CAS> (683)
210302-17-3

>  <URL> (683)
htt

$$$$

csChFnd80/05212110122D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7525    3.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    5.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C16H12ClNO

>  <MolWeight> (684)
269.72558

>  <Cat> (684)
S0780

>  <Name> (684)
Oncrasin-1

>  <Synonyms> (684)
N/A

>  <Target> (684)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (684)
Free Base

>  <CAS> (684)
75629-57-1

>  <URL> (684)
htt

$$$$

csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    5.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C16H11Cl2N3O2S

>  <MolWeight> (685)
380.24844

>  <Cat> (685)
S0795

>  <Name> (685)
O-304

>  <Synonyms> (685)
O-3

>  <Target> (685)
AMPK

>  <Form> (685)
Free Base

>  <CAS> (685)
1261289-04-6

>  <URL> (685)
htt

$$$$

csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    6.3000    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
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  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
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C18H16O5

>  <MolWeight> (686)
312.31664

>  <Cat> (686)
S0913

>  <Name> (686)
4',5,7-Trime

>  <Synonyms> (686)
5,?

>  <Target> (686)
apoptosis related. Caspase. PARP.

>  <Form> (686)
Free Base

>  <CAS> (686)
5631-70-9

>  <URL> (686)
htt

$$$$

csChFnd80/05212110122D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.9064    4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    4.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    3.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    1.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4605    4.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523    4.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4446    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8128    3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7536    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2404    4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085    4.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5493    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0359    6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 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
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C18H19N3O2S

>  <MolWeight> (687)
341.42736

>  <Cat> (687)
S1027

>  <Name> (687)
FL-411

>  <Synonyms> (687)
BRD

>  <Target> (687)
Epigenetic Reader Domain. Autophagy

>  <Form> (687)
Free Base

>  <CAS> (687)
2118944-88-8

>  <URL> (687)
htt

$$$$

csChFnd80/05212110122D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.8000    0.0000 Br  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
    2.4248    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  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
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C20H16Br2O3

>  <MolWeight> (688)
464.14724

>  <Cat> (688)
S1161

>  <Name> (688)
Histone?Acet

>  <Synonyms> (688)
HAT

>  <Target> (688)
Epigenetic Reader Domain, Histone Acetyltr

>  <Form> (688)
Free Base

>  <CAS> (688)
932749-62-7

>  <URL> (688)
htt

$$$$

csChFnd80/05212110122D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.7497    1.3323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837    0.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0545    7.5779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    4.9163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6619    7.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1367    9.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946    8.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C17H17N3O2S

>  <MolWeight> (689)
327.40078

>  <Cat> (689)
S1232

>  <Name> (689)
M1001

>  <Synonyms> (689)
N/A

>  <Target> (689)
HIF

>  <Form> (689)
Free Base

>  <CAS> (689)
874590-32-6

>  <URL> (689)
htt

$$$$

csChFnd80/05212110122D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6089    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    7.7544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0862    8.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   12.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   13.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   12.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    6.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  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 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C14H14ClN3S

>  <MolWeight> (690)
291.79906

>  <Cat> (690)
S1242

>  <Name> (690)
CPTH2

>  <Synonyms> (690)
N/A

>  <Target> (690)
Histone Acetyltransferase. Apoptosis relat

>  <Form> (690)
Free Base

>  <CAS> (690)
357649-93-5

>  <URL> (690)
htt

$$$$

csChFnd80/05212110122D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   14.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C22H31N9O

>  <MolWeight> (691)
437.54124

>  <Cat> (691)
S1272

>  <Name> (691)
XL228

>  <Synonyms> (691)
N/A

>  <Target> (691)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (691)
Free Base

>  <CAS> (691)
898280-07-4

>  <URL> (691)
htt

$$$$

csChFnd80/05212110122D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    4.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (692)
692

>  <Formula> (692)
C29H30O13

>  <MolWeight> (692)
586.5407

>  <Cat> (692)
S1273

>  <Name> (692)
Amarogentin

>  <Synonyms> (692)
AG

>  <Target> (692)
Taste Receptor. TNF-alpha. Apoptosis relat

>  <Form> (692)
Free Base

>  <CAS> (692)
21018-84-8

>  <URL> (692)
htt

$$$$

csChFnd80/05212110122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   10.9123    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5495    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1247    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
 11  5  1  6  0  0  0
  5 21  1  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (693)
693

>  <Formula> (693)
C22H33N3O4

>  <MolWeight> (693)
403.51512

>  <Cat> (693)
S1313

>  <Name> (693)
GSK3117391

>  <Synonyms> (693)
GSK

>  <Target> (693)
HDAC

>  <Form> (693)
Free Base

>  <CAS> (693)
1018673-42-1

>  <URL> (693)
htt

$$$$

csChFnd80/05212110122D

 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
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    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> (694)
694

>  <Formula> (694)
C13H8O3

>  <MolWeight> (694)
212.20082

>  <Cat> (694)
S1321

>  <Name> (694)
Urolithin B

>  <Synonyms> (694)
N/A

>  <Target> (694)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (694)
Free Base

>  <CAS> (694)
1139-83-9

>  <URL> (694)
htt

$$$$

csChFnd80/05212110122D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    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
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    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
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  1  6  1  0  0  0  0
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  2 12  1  0  0  0  0
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  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  5  7  1  0  0  0  0
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 10 12  2  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
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M  END
>  <Mol_ID> (695)
695

>  <Formula> (695)
C16H12O3

>  <MolWeight> (695)
252.26468

>  <Cat> (695)
S1323

>  <Name> (695)
7-Methoxyiso

>  <Synonyms> (695)
MIF

>  <Target> (695)
AMPK

>  <Form> (695)
Free Base

>  <CAS> (695)
1621-56-3

>  <URL> (695)
htt

$$$$

csChFnd80/05212110122D

 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> (696)
696

>  <Formula> (696)
C5H6Na2O5

>  <MolWeight> (696)
192.07768

>  <Cat> (696)
S1325

>  <Name> (696)
L-2-Hydroxyg

>  <Synonyms> (696)
(S)

>  <Target> (696)
Histone Demethylase

>  <Form> (696)
Disodium

>  <CAS> (696)
63512-50-5

>  <URL> (696)
htt

$$$$

csChFnd80/05212110122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9367    3.2137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    0.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4103    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C18H16O3S

>  <MolWeight> (697)
312.38284

>  <Cat> (697)
S2937

>  <Name> (697)
SYP-5

>  <Synonyms> (697)
N/A

>  <Target> (697)
HIF

>  <Form> (697)
Free Base

>  <CAS> (697)
1384268-04-5

>  <URL> (697)
htt

$$$$

csChFnd80/05212110122D

 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
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   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C30H36Br2N4O2

>  <MolWeight> (698)
644.44044

>  <Cat> (698)
S2942

>  <Name> (698)
EB-3D

>  <Synonyms> (698)
N/A

>  <Target> (698)
Choline kinase. AMPK. Apoptosis related

>  <Form> (698)
Free Base

>  <CAS> (698)
1839150-63-8

>  <URL> (698)
htt

$$$$

csChFnd80/05212110122D

 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
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    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
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  3 13  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C13H17Cl2N3O2S

>  <MolWeight> (699)
350.26398

>  <Cat> (699)
S2964

>  <Name> (699)
HA-100 dihyd

>  <Synonyms> (699)
N/A

>  <Target> (699)
PKG, PKA, PKC, MLCK

>  <Form> (699)
Dihydroch

>  <CAS> (699)
210297-47-5

>  <URL> (699)
htt

$$$$

csChFnd80/05212110122D

 35 34  0  0  0  0  0  0  0  0999 V2000
   11.2073    4.9554    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
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   14.4269    1.3284    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0016    0.8377    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.6708    0.0163    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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    8.2690    7.2108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5974    6.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5499    7.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310    5.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    6.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    7.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351    9.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  2  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
 26  8  1  6  0  0  0
 27  9  1  6  0  0  0
 10 30  1  0  0  0  0
 14 34  2  0  0  0  0
 28 21  1  1  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 32  2  0  0  0  0
 22 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 35  2  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 35  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  1  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C10H13N5Na3O14P3

>  <MolWeight> (700)
589.125913

>  <Cat> (700)
S3084

>  <Name> (700)
Guanosine 5'

>  <Synonyms> (700)
5'-

>  <Target> (700)
others

>  <Form> (700)
Trisodium

>  <CAS> (700)
36051-31-7

>  <URL> (700)
htt

$$$$

csChFnd80/05212110122D

 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
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C16H30O2

>  <MolWeight> (701)
254.4082

>  <Cat> (701)
S3341

>  <Name> (701)
Palmitoleic 

>  <Synonyms> (701)
POA

>  <Target> (701)
AMPK

>  <Form> (701)
Free Base

>  <CAS> (701)
373-49-9

>  <URL> (701)
htt

$$$$

csChFnd80/05212110122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   11.4912    6.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4957    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6999    5.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5299    3.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.7168    8.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9106    6.2687    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
  3  1  1  1  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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C14H20N6O5S

>  <MolWeight> (702)
384.4108

>  <Cat> (702)
S7868

>  <Name> (702)
S-Adenosyl-L

>  <Synonyms> (702)
S-A

>  <Target> (702)
Histone Methyltransferase

>  <Form> (702)
Free Base

>  <CAS> (702)
979-92-0

>  <URL> (702)
htt

$$$$

csChFnd80/05212110122D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4138    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6262    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2056    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0469   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344   11.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2593   11.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2908    9.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6261    7.6927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6261    6.2927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  1  0  0  0  0
  7 20  3  0  0  0  0
 16 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  6  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C17H10F5NO4S

>  <MolWeight> (703)
419.322616

>  <Cat> (703)
S8351

>  <Name> (703)
PT2399

>  <Synonyms> (703)
N/A

>  <Target> (703)
HIF

>  <Form> (703)
Free Base

>  <CAS> (703)
1672662-14-4

>  <URL> (703)
htt

$$$$

csChFnd80/05212110122D

 36 38  0  0  0  0  0  0  0  0999 V2000
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   19.4243    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (704)
704

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>  <Synonyms> (704)
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>  <Target> (704)
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>  <Form> (704)
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>  <CAS> (704)
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>  <URL> (704)
htt

$$$$

csChFnd80/05212110122D

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M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C17H16N4O4

>  <MolWeight> (705)
340.33334

>  <Cat> (705)
S9656

>  <Name> (705)
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>  <Synonyms> (705)
N/A

>  <Target> (705)
HIF

>  <Form> (705)
Free Base

>  <CAS> (705)
1262132-81-9

>  <URL> (705)
htt

$$$$

csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (706)
706

>  <Formula> (706)
C16H16N2O6

>  <MolWeight> (706)
332.30804

>  <Cat> (706)
S9699

>  <Name> (706)
Desidustat

>  <Synonyms> (706)
ZYA

>  <Target> (706)
HIF

>  <Form> (706)
Free Base

>  <CAS> (706)
1616690-16-4

>  <URL> (706)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (707)
707

>  <Formula> (707)
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>  <MolWeight> (707)
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>  <Cat> (707)
S9712

>  <Name> (707)
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>  <Synonyms> (707)
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>  <Target> (707)
PARP

>  <Form> (707)
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>  <CAS> (707)
1358715-18-0

>  <URL> (707)
htt

$$$$

csChFnd80/05212110122D

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>  <Mol_ID> (708)
708

>  <Formula> (708)
C18H19N3O3

>  <MolWeight> (708)
325.36176

>  <Cat> (708)
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>  <Name> (708)
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>  <Synonyms> (708)
N/A

>  <Target> (708)
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>  <Form> (708)
Free Base

>  <CAS> (708)
2088410-46-0

>  <URL> (708)
htt

$$$$

csChFnd80/05212110122D

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htt

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csChFnd80/05212110122D

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>  <Mol_ID> (710)
710

>  <Formula> (710)
C29H29N7O3S

>  <MolWeight> (710)
555.65066

>  <Cat> (710)
S8948

>  <Name> (710)
SRX3207

>  <Synonyms> (710)
N/A

>  <Target> (710)
Syk

>  <Form> (710)
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>  <CAS> (710)
2254693-15-5

>  <URL> (710)
htt

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csChFnd80/05212110122D

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>  <Mol_ID> (711)
711

>  <Formula> (711)
C23H27FN2O4

>  <MolWeight> (711)
414.4698832

>  <Cat> (711)
S9684

>  <Name> (711)
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>  <Synonyms> (711)
iBE

>  <Target> (711)
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>  <Form> (711)
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>  <CAS> (711)
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>  <URL> (711)
htt

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csChFnd80/05212110122D

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>  <Mol_ID> (712)
712

>  <Formula> (712)
C19H18FN3O

>  <MolWeight> (712)
323.3641232

>  <Cat> (712)
S4948

>  <Name> (712)
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>  <Synonyms> (712)
Rub

>  <Target> (712)
PARP

>  <Form> (712)
Free Base

>  <CAS> (712)
283173-50-2

>  <URL> (712)
htt

$$$$

csChFnd80/05212110122D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
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>  <MolWeight> (713)
228.24328

>  <Cat> (713)
S3168

>  <Name> (713)
cis-Resverat

>  <Synonyms> (713)
cis

>  <Target> (713)
Nrf2

>  <Form> (713)
Free Base

>  <CAS> (713)
61434-67-1

>  <URL> (713)
htt

$$$$

csChFnd80/05212110122D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C14H12N2

>  <MolWeight> (714)
208.25848

>  <Cat> (714)
S3589

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Bendazol

>  <Synonyms> (714)
2-B

>  <Target> (714)
NOS

>  <Form> (714)
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>  <CAS> (714)
621-72-7

>  <URL> (714)
htt

$$$$

csChFnd80/05212110122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C16H13Cl2N3O2

>  <MolWeight> (715)
350.19932

>  <Cat> (715)
S0374

>  <Name> (715)
GDC046

>  <Synonyms> (715)
N/A

>  <Target> (715)
JAK

>  <Form> (715)
Free Base

>  <CAS> (715)
1258292-64-6

>  <URL> (715)
htt

$$$$

csChFnd80/05212110122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.7968    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C17H19FN4O2

>  <MolWeight> (716)
330.3567632

>  <Cat> (716)
S0864

>  <Name> (716)
ACY-775

>  <Synonyms> (716)
N/A

>  <Target> (716)
HDAC

>  <Form> (716)
Free Base

>  <CAS> (716)
1375466-18-4

>  <URL> (716)
htt

$$$$

csChFnd80/05212110122D

 42 45  0  0  1  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C20H16ClN3O2

>  <MolWeight> (717)
365.81294

>  <Cat> (717)
S7853

>  <Name> (717)
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>  <Synonyms> (717)
N/A

>  <Target> (717)
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>  <Form> (717)
Free Base

>  <CAS> (717)
1380087-89-7

>  <URL> (717)
htt

$$$$

csChFnd80/05212110122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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718

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htt

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csChFnd80/05212110122D

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1821-12-1

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htt

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720

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>  <MolWeight> (720)
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PARP

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>  <CAS> (720)
1859053-21-6

>  <URL> (720)
htt

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csChFnd80/05212110122D

  9  8  0  0  0  0  0  0  0  0999 V2000
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721

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129.16364

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AMPK

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>  <CAS> (721)
657-24-9

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htt

$$$$

csChFnd80/05212110122D

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722

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htt

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M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C28H25ClF3N7O2

>  <MolWeight> (723)
583.9920096

>  <Cat> (723)
S4895

>  <Name> (723)
Nilotinib hy

>  <Synonyms> (723)
Tas

>  <Target> (723)
Bcr-Abl

>  <Form> (723)
Hydrochlo

>  <CAS> (723)
923288-90-8

>  <URL> (723)
htt

$$$$
