ABT-888(Veliparib).cdx
csChFnd80/10212009122D

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ABT-888 (Veliparib)

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PARP 

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Free Base

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912444-00-9

>  <URL> (1)
http://www.selleckchem.com/products/ABT-888.html

$$$$
untitled.cdx
csChFnd80/10212009122D

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HDAC 

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Free Base

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404950-80-7

>  <URL> (2)
http://www.selleckchem.com/products/LBH-589.html

$$$$
untitled.cdx
csChFnd80/10212009122D

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3

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C28H22F3N7O

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S1033

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Nilotinib (AMN-107)

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Tasigna 

>  <Target> (3)
Bcr-Abl

>  <Form> (3)
Free Base

>  <CAS> (3)
641571-10-0

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

$$$$
AR-42.cdx
csChFnd80/10212009122D

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4

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C18H20N2O3

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AR-42 (HDAC-42)

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OSU-HDAC42

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HDAC 

>  <Form> (4)
Free Base

>  <CAS> (4)
935881-37-1

>  <URL> (4)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

$$$$
vorinostat.cdx
csChFnd80/10212009122D

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Vorinostat (SAHA, MK0683)

>  <Synonyms> (5)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (5)
HDAC

>  <Form> (5)
Free Base

>  <CAS> (5)
149647-78-9

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

$$$$
untitled.cdx
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>  <Mol_ID> (6)
6

>  <Formula> (6)
C23H28N8OS

>  <MolWeight> (6)
464.58642

>  <Cat> (6)
S1048

>  <Name> (6)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
Aurora Kinase

>  <Form> (6)
Free Base

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

>  <URL> (6)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
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>  <Mol_ID> (7)
7

>  <Formula> (7)
C21H20N4O3

>  <MolWeight> (7)
376.4085

>  <Cat> (7)
S1053

>  <Name> (7)
Entinostat (MS-275, SNDX-275)

>  <Synonyms> (7)
SNDX-275

>  <Target> (7)
HDAC 

>  <Form> (7)
Free Base

>  <CAS> (7)
209783-80-2

>  <URL> (7)
http://www.selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
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>  <Mol_ID> (8)
8

>  <Formula> (8)
C32H29N5O2

>  <MolWeight> (8)
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>  <Cat> (8)
S1055

>  <Name> (8)
Enzastaurin (LY317615)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
PKC 

>  <Form> (8)
Free Base

>  <CAS> (8)
170364-57-5

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

$$$$
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PARP 

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160003-66-7

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HDAC 

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783355-60-2

>  <URL> (12)
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>  <URL> (13)
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M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C19H21FN3O5P

>  <MolWeight> (14)
421.3593042

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>  <Name> (14)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Synonyms> (14)
AG-014447 

>  <Target> (14)
PARP 

>  <Form> (14)
Phosphate

>  <CAS> (14)
459868-92-9

>  <URL> (14)
http://www.selleckchem.com/products/AG-014699.html

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1.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (15)
15

>  <Formula> (15)
C25H15ClF2N4O2

>  <MolWeight> (15)
476.8620064

>  <Cat> (15)
S1100

>  <Name> (15)
MLN8054

>  <Synonyms> (15)
N/A

>  <Target> (15)
Aurora Kinase

>  <Form> (15)
Free Base

>  <CAS> (15)
869363-13-3

>  <URL> (15)
http://www.selleckchem.com/products/MLN8054.html

$$$$
zm447439.cdx
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>  <Mol_ID> (16)
16

>  <Formula> (16)
C29H31N5O4

>  <MolWeight> (16)
513.58754

>  <Cat> (16)
S1103

>  <Name> (16)
ZM-447439

>  <Synonyms> (16)
N/A

>  <Target> (16)
Aurora Kinase

>  <Form> (16)
Free Base

>  <CAS> (16)
331771-20-1

>  <URL> (16)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
untitled.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (17)
17

>  <Formula> (17)
C26H30N6O3

>  <MolWeight> (17)
474.5548

>  <Cat> (17)
S1107

>  <Name> (17)
Danusertib (PHA-739358)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (17)
Free Base

>  <CAS> (17)
827318-97-8

>  <URL> (17)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
untitled.cdx
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>  <Mol_ID> (18)
18

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C28H39N7O3

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N/A

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PLK

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Free Base

>  <CAS> (18)
755038-02-9

>  <URL> (18)
http://www.selleckchem.com/products/BI-2536.html

$$$$
726169-73-9.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (19)
19

>  <Formula> (19)
C23H20N6O

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Mocetinostat (MGCD0103)

>  <Synonyms> (19)
N/A 

>  <Target> (19)
HDAC 

>  <Form> (19)
Free Base

>  <CAS> (19)
726169-73-9

>  <URL> (19)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
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>  <Mol_ID> (20)
20

>  <Formula> (20)
C25H24ClN7OS

>  <MolWeight> (20)
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>  <Name> (20)
SRT1720 HCl

>  <Synonyms> (20)
N/A

>  <Target> (20)
Sirtuin

>  <Form> (20)
Hydrochloride

>  <CAS> (20)
1001645-58-4

>  <URL> (20)
http://www.selleckchem.com/products/SRT1720.html

$$$$
ino-1001.cdx
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>  <Mol_ID> (21)
21

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C7H8N2O

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INO-1001 (3-Aminobenzamide)

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N/A

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PARP 

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Free Base

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3544-24-9

>  <URL> (21)
http://www.selleckchem.com/products/INO-1001.html

$$$$
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Aurora Kinase

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Free Base

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1028486-01-2

>  <URL> (22)
http://www.selleckchem.com/products/MLN8237.html

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Bcr-Abl, JAK, Aurora Kinase

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Free Base

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896466-04-9

>  <URL> (23)
http://www.selleckchem.com/products/AT9283.html

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AZD1152 

>  <Target> (24)
Aurora Kinase

>  <Form> (24)
Free Base

>  <CAS> (24)
722544-51-6

>  <URL> (24)
http://www.selleckchem.com/products/AZD1152-HQPA.html

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CYC116

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N/A

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Aurora Kinase, VEGFR

>  <Form> (25)
Free Base

>  <CAS> (25)
693228-63-6

>  <URL> (25)
http://www.selleckchem.com/products/CYC116.html

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Wnt/beta-catenin

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Free Base

>  <CAS> (26)
284028-89-3

>  <URL> (26)
http://www.selleckchem.com/products/XAV-939.html

$$$$
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    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C21H25N7

>  <MolWeight> (27)
375.4701

>  <Cat> (27)
S1181

>  <Name> (27)
ENMD-2076

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Flt, Aurora Kinase, VEGFR

>  <Form> (27)
Tartaric Acid 

>  <CAS> (27)
934353-76-1

>  <URL> (27)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/10212009122D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
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 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
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 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> (28)
28

>  <Formula> (28)
C24H26N4O4

>  <MolWeight> (28)
434.48764

>  <Cat> (28)
S1194

>  <Name> (28)
CUDC-101

>  <Synonyms> (28)
N/A

>  <Target> (28)
HDAC, EGFR, HER2

>  <Form> (28)
Free Base

>  <CAS> (28)
1012054-59-9

>  <URL> (28)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10212009122D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  1  1  0  0  0  0
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
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  1  9  1  1  0  0  0
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 10 11  2  0  0  0  0
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 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> (29)
29

>  <Formula> (29)
C8H12N4O4

>  <MolWeight> (29)
228.20528

>  <Cat> (29)
S1200

>  <Name> (29)
Decitabine

>  <Synonyms> (29)
Dacogen

>  <Target> (29)
DNA/RNA Synthesis

>  <Form> (29)
Free Base

>  <CAS> (29)
2353-33-5

>  <URL> (29)
http://www.selleckchem.com/products/Decitabine.html

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10212009122D

 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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 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C27H30ClNO11

>  <MolWeight> (30)
579.9802

>  <Cat> (30)
S1208

>  <Name> (30)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (30)
N/A 

>  <Target> (30)
Topoisomerase

>  <Form> (30)
Hydrochloride

>  <CAS> (30)
25316-40-9

>  <URL> (30)
http://www.selleckchem.com/products/Adriamycin.html

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10212009122D

  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
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  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C4H3FN2O2

>  <MolWeight> (31)
130.0772232

>  <Cat> (31)
S1209

>  <Name> (31)
Adrucil (Fluorouracil)

>  <Synonyms> (31)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (31)
DNA/RNA Synthesis

>  <Form> (31)
Free Base

>  <CAS> (31)
51-21-8

>  <URL> (31)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

$$$$
Etoposide.cdx
csChFnd80/10212009122D

 47 53  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 31 32  1  0  0  0  0
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 35 46  1  1  0  0  0
 43 47  1  6  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C29H32O13

>  <MolWeight> (32)
588.55658

>  <Cat> (32)
S1225

>  <Name> (32)
Etoposide (VP-16)
Etoposide

>  <Synonyms> (32)
Vepesid 

>  <Target> (32)
Topoisomerase

>  <Form> (32)
Free Base

>  <CAS> (32)
33419-42-0

>  <URL> (32)
http://www.selleckchem.com/products/Etopophos.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  2  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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
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  9 22  1  1  0  0  0
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 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C19H26O3

>  <MolWeight> (33)
302.40794

>  <Cat> (33)
S1233

>  <Name> (33)
2-Methoxyestradiol

>  <Synonyms> (33)
2-ME2

>  <Target> (33)
HIF

>  <Form> (33)
Free Base

>  <CAS> (33)
362-07-2

>  <URL> (33)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10212009122D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C6H6N6O2

>  <MolWeight> (34)
194.15084

>  <Cat> (34)
S1237

>  <Name> (34)
Temozolomide

>  <Synonyms> (34)
Methazolastone, Temodar, Temodal

>  <Target> (34)
DNA/RNA Synthesis

>  <Form> (34)
Free Base

>  <CAS> (34)
85622-93-1

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

$$$$
JNJ-7706621.cdx
csChFnd80/10212009122D

 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
    2.7927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C15H12F2N6O3S

>  <MolWeight> (35)
394.3559864

>  <Cat> (35)
S1249

>  <Name> (35)
JNJ-7706621

>  <Synonyms> (35)
N/A 

>  <Target> (35)
CDK, Aurora Kinase

>  <Form> (35)
Free Base

>  <CAS> (35)
443797-96-4

>  <URL> (35)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/10212009122D

  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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C6H6N2O

>  <MolWeight> (36)
122.12464

>  <Cat> (36)
S1899

>  <Name> (36)
Nicotinamide (Vitamin B3)

>  <Synonyms> (36)
Niacinamide

>  <Target> (36)
Sirtuin

>  <Form> (36)
Free Base

>  <CAS> (36)
98-92-0

>  <URL> (36)
http://www.selleckchem.com/products/Nicotinamide(Niacinamide).html

$$$$
resveratrol.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C14H12O3

>  <MolWeight> (37)
228.24328

>  <Cat> (37)
S1396

>  <Name> (37)
Resveratrol

>  <Synonyms> (37)
N/A

>  <Target> (37)
Sirtuin

>  <Form> (37)
Free Base

>  <CAS> (37)
501-36-0

>  <URL> (37)
http://www.selleckchem.com/products/Resveratrol.html

$$$$
Droxinostat.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C11H14ClNO3

>  <MolWeight> (38)
243.68676

>  <Cat> (38)
S1422

>  <Name> (38)
Droxinostat

>  <Synonyms> (38)
N/A

>  <Target> (38)
HDAC 

>  <Form> (38)
Free Base

>  <CAS> (38)
99873-43-5

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C31H31ClFN7O2

>  <MolWeight> (39)
588.0749432

>  <Cat> (39)
S1451

>  <Name> (39)
Aurora A Inhibitor I

>  <Synonyms> (39)
N/A

>  <Target> (39)
Aurora Kinase

>  <Form> (39)
Free Base

>  <CAS> (39)
1158838-45-9

>  <URL> (39)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C28H35N7O2

>  <MolWeight> (40)
501.6232

>  <Cat> (40)
S1454

>  <Name> (40)
PHA-680632

>  <Synonyms> (40)
N/A

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <CAS> (40)
398493-79-3

>  <URL> (40)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
sp600125.cdx
csChFnd80/10212009122D

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852475-26-4

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Aurora Kinase

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422513-13-1

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

$$$$
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SEN0014196

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Sirtuin

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Free Base

>  <CAS> (47)
49843-98-3

>  <URL> (47)
http://www.selleckchem.com/products/EX-527.html

$$$$
BMS777607.cdx
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>  <Mol_ID> (48)
48

>  <Formula> (48)
C25H19ClF2N4O4

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S1561

>  <Name> (48)
BMS 777607

>  <Synonyms> (48)
N/A 

>  <Target> (48)
c-Met

>  <Form> (48)
Free Base

>  <CAS> (48)
1025720-94-8

>  <URL> (48)
http://www.selleckchem.com/products/BMS-777607.html

$$$$
Fasudil HCl.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C14H18ClN3O2S

>  <MolWeight> (49)
327.82962

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S1573

>  <Name> (49)
Fasudil HCl (HA-1077)

>  <Synonyms> (49)
AT-877 

>  <Target> (49)
ROCK

>  <Form> (49)
Hydrochloride

>  <CAS> (49)
105628-07-7

>  <URL> (49)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$

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  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> (50)
50

>  <Formula> (50)
C27H30Cl2F2N6O

>  <MolWeight> (50)
563.4695064

>  <Cat> (50)
S2686

>  <Name> (50)
NVP-BSK805 2HCl

>  <Synonyms> (50)
N/A

>  <Target> (50)
JAK

>  <Form> (50)
HCl

>  <CAS> (50)
1092499-93-8 (free base)

>  <URL> (50)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10212009122D

 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> (51)
51

>  <Formula> (51)
C16H31NaO4

>  <MolWeight> (51)
310.40471

>  <Cat> (51)
S1703

>  <Name> (51)
Divalproex sodium

>  <Synonyms> (51)
Depakote, Epival

>  <Target> (51)
HDAC

>  <Form> (51)
Sodium Salt

>  <CAS> (51)
76584-70-8

>  <URL> (51)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10212009122D

 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> (52)
52

>  <Formula> (52)
C5H5N5S

>  <MolWeight> (52)
167.1917

>  <Cat> (52)
S1774

>  <Name> (52)
Thioguanine

>  <Synonyms> (52)
6-Thioguanine

>  <Target> (52)
Others

>  <Form> (52)
Free Base

>  <CAS> (52)
154-42-7

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10212009122D

 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
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C8H12N4O5

>  <MolWeight> (53)
244.20468

>  <Cat> (53)
S1782

>  <Name> (53)
Azacitidine (Vidaza)

>  <Synonyms> (53)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (53)
DNA/RNA Synthesis

>  <Form> (53)
Free Base

>  <CAS> (53)
320-67-2

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

$$$$
VUMON (teniposide).cdx
csChFnd80/10212009122D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4777    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6902    4.1903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9026    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1108    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    2.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3326    1.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6801    3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8488    6.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6364    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6364    4.8903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8488    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0613    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.7903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6364    2.0903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5860   10.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937   10.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  9  1  0  0  0  0
 24 25  2  0  0  0  0
  9 26  1  6  0  0  0
  7 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  6  0  0  0
 28 27  1  6  0  0  0
 29 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 39  1  6  0  0  0
 37 40  1  1  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 40  1  0  0  0  0
  5 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47  6  1  0  0  0  0
 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C32H32O13S

>  <MolWeight> (54)
656.65368

>  <Cat> (54)
S1787

>  <Name> (54)
Teniposide (Vumon)

>  <Synonyms> (54)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (54)
Topoisomerase

>  <Form> (54)
Free Base

>  <CAS> (54)
29767-20-2

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/10212009122D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C4H12ClN5

>  <MolWeight> (55)
165.62458

>  <Cat> (55)
S1950

>  <Name> (55)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (55)
Glucophage, Riomet, Diabex

>  <Target> (55)
Others

>  <Form> (55)
Hydrochloride

>  <CAS> (55)
1115-70-4

>  <URL> (55)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
PCI-34051.cdx
csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2694    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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HDAC 

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950762-95-5

>  <URL> (56)
http://www.selleckchem.com/products/pci-34051.html

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RG108

>  <Synonyms> (57)
N/A 

>  <Target> (57)
Transferases

>  <Form> (57)
Free Base

>  <CAS> (57)
48208-26-0

>  <URL> (57)
http://www.selleckchem.com/products/rg108.html

$$$$
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58

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C23H24N8O4S

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CUDC-907

>  <Synonyms> (58)
N/A

>  <Target> (58)
HDAC, PI3K

>  <Form> (58)
Free Base

>  <CAS> (58)
1339928-25-4

>  <URL> (58)
http://www.selleckchem.com/products/cudc-907.html

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>  <Mol_ID> (59)
59

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C24H25N5O5S

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c-Met, FGFR, PDGFR

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>  <CAS> (59)
917879-39-1

>  <URL> (59)
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251456-60-7 

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http://www.selleckchem.com/products/m344.html

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871026-44-7

>  <URL> (61)
http://www.selleckchem.com/products/tak-285.html

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>  <Target> (62)
HDAC 

>  <Form> (62)
Free Base

>  <CAS> (62)
2438-72-4

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

$$$$
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>  <Target> (63)
PKC 

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>  <CAS> (63)
425637-18-9

>  <URL> (63)
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Sirtuin 

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410536-97-9

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

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JAK

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Free Base

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1257704-57-6

>  <URL> (65)
http://www.selleckchem.com/products/cep33779.html

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HDAC

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Free Base

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112522-64-2

>  <URL> (66)
http://www.selleckchem.com/products/ci994-tacedinaline.html

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67

>  <Formula> (67)
C15H10O7

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Quercetin (Sophoretin)

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Meletin, Quercetine

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PI3K, PKC, Src, Sirtuin

>  <Form> (67)
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>  <CAS> (67)
117-39-5

>  <URL> (67)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

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KW 2449

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N/A

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Flt, Bcr-Abl, Aurora Kinase

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Free Base

>  <CAS> (68)
1000669-72-6

>  <URL> (68)
http://www.selleckchem.com/products/KW-2449.html

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>  <Target> (69)
HDAC 

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Chloride

>  <CAS> (69)
732302-99-7

>  <URL> (69)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

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Daphnetin

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>  <Target> (70)
DNA/RNA Synthesis

>  <Form> (70)
Free Base

>  <CAS> (70)
486-35-1

>  <URL> (70)
http://www.selleckchem.com/products/Daphnetin.html

$$$$
AG14361.cdx
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71

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C19H20N4O

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AG14361

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N/A

>  <Target> (71)
PARP

>  <Form> (71)
Free Base

>  <CAS> (71)
328543-09-5

>  <URL> (71)
http://www.selleckchem.com/products/AG14361.html

$$$$
LY2784544.cdx
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72

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C23H25ClFN7O

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N/A

>  <Target> (72)
JAK 

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Free Base

>  <CAS> (72)
1229236-86-5

>  <URL> (72)
http://www.selleckchem.com/products/LY2784544.html

$$$$
SGI 1776 free base.cdx
csChFnd80/10212009122D

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>  <Target> (73)
Pim

>  <Form> (73)
Free Base

>  <CAS> (73)
1025065-69-3

>  <URL> (73)
http://www.selleckchem.com/products/SGI-1776.html

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    9.7534    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    4.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9902    5.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6208    5.5850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5576    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9451    7.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9049    8.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4743    9.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6514   11.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2591   10.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6897    9.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2189   12.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6064   12.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1738   13.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5613   13.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1288   15.2442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4982   15.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6445   16.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3656   17.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4288   16.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 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 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C25H23F3N4O2

>  <MolWeight> (74)
468.4709296

>  <Cat> (74)
S2216

>  <Name> (74)
Mubritinib (TAK 165)

>  <Synonyms> (74)
TAK 165, TAK165

>  <Target> (74)
HER2

>  <Form> (74)
Free Base

>  <CAS> (74)
366017-09-6

>  <URL> (74)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10212009122D

 33 36  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  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    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
    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  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  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
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    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
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 10 13  2  0  0  0  0
 12 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
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 14 23  1  6  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C22H18O11

>  <MolWeight> (75)
458.37172

>  <Cat> (75)
S2250

>  <Name> (75)
(-)-Epigallocatechin gallate

>  <Synonyms> (75)
EGCG

>  <Target> (75)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (75)
Free Base

>  <CAS> (75)
989-51-5

>  <URL> (75)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10212009122D

 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
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   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
    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> (76)
76

>  <Formula> (76)
C20H18ClNO4

>  <MolWeight> (76)
371.81422

>  <Cat> (76)
S2271

>  <Name> (76)
Berberine chloride

>  <Synonyms> (76)
N/A

>  <Target> (76)
Antifection

>  <Form> (76)
chloride

>  <CAS> (76)
633-65-8

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

$$$$
Chlorogenic acid.cdx
csChFnd80/10212009122D

 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
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 21 22  2  0  0  0  0
 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> (77)
77

>  <Formula> (77)
C16H18O9

>  <MolWeight> (77)
354.30872

>  <Cat> (77)
S2280

>  <Name> (77)
Chlorogenic acid

>  <Synonyms> (77)
N/A

>  <Target> (77)
Others

>  <Form> (77)
Free Base

>  <CAS> (77)
327-97-9

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

$$$$
Fisetin.cdx
csChFnd80/10212009122D

 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
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C15H10O6

>  <MolWeight> (78)
286.2363

>  <Cat> (78)
S2298

>  <Name> (78)
Fisetin (Fustel)

>  <Synonyms> (78)
Fustel, Viset

>  <Target> (78)
Sirtuin

>  <Form> (78)
Free Base

>  <CAS> (78)
528-48-3

>  <URL> (78)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Myricitrin.cdx
csChFnd80/10212009122D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C21H20O12

>  <MolWeight> (79)
464.3763

>  <Cat> (79)
S2327

>  <Name> (79)
Myricitrin (Myricitrine)

>  <Synonyms> (79)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (79)
PKC

>  <Form> (79)
Free Base

>  <CAS> (79)
17912-87-7

>  <URL> (79)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/10212009122D

 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
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C15H20O3

>  <MolWeight> (80)
248.3175

>  <Cat> (80)
S2341

>  <Name> (80)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (80)
N/A 

>  <Target> (80)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (80)
Free Base

>  <CAS> (80)
20554-84-1

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/10212009122D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C15H14O9

>  <MolWeight> (81)
338.26626

>  <Cat> (81)
S2347

>  <Name> (81)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (81)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (81)
Others

>  <Form> (81)
Dihydrate

>  <CAS> (81)
6151-25-3

>  <URL> (81)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/10212009122D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C15H24O2

>  <MolWeight> (82)
236.34986

>  <Cat> (82)
S2407

>  <Name> (82)
Curcumol

>  <Synonyms> (82)
N/A

>  <Target> (82)
JAK

>  <Form> (82)
Free Base

>  <CAS> (82)
4871-97-0

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

$$$$
Fenbendazole.cdx
csChFnd80/10212009122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 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
    3.6331    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0024    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
    7.2704    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8224    3.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9151    2.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    5.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C15H13N3O2S

>  <MolWeight> (83)
299.34762

>  <Cat> (83)
S2468

>  <Name> (83)
Fenbendazole (Panacur)

>  <Synonyms> (83)
 Panacur, Safe-Guard

>  <Target> (83)
Antifection

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>  <Mol_ID> (87)
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C28H21N7OS

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N/A

>  <Target> (87)
Aurora Kinase

>  <Form> (87)
Free Base

>  <CAS> (87)
945595-80-2

>  <URL> (87)
http://www.selleckchem.com/products/amg-900.html

$$$$

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88

>  <Formula> (88)
C22H30Cl2N4O6

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S2485

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Mitoxantrone 2HCl

>  <Synonyms> (88)
NSC-301739

>  <Target> (88)
Topoisomerase

>  <Form> (88)
Dihydrochloride

>  <CAS> (88)
70476-82-3

>  <URL> (88)
http://www.selleckchem.com/products/Mitoxantrone.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10212009122D

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S2542

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Phenformin hydrochloride 

>  <Synonyms> (89)
N/A

>  <Target> (89)
AMPK

>  <Form> (89)
Hydrochloride 

>  <CAS> (89)
834-28-6

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

$$$$
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>  <Mol_ID> (90)
90

>  <Formula> (90)
C27H26F3N7O6S2

>  <MolWeight> (90)
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>  <Cat> (90)
S2672

>  <Name> (90)
PF-00562271

>  <Synonyms> (90)
N/A

>  <Target> (90)
FAK

>  <Form> (90)
Benzenesulfonic

>  <CAS> (90)
939791-38-5

>  <URL> (90)
http://www.selleckchem.com/products/pf-00562271.html

$$$$
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csChFnd80/10212009122D

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IGF-1R

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1001350-96-4

>  <URL> (91)
http://www.selleckchem.com/products/BMS-754807.html

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92

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C21H27N7O3

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GSK690693

>  <Synonyms> (92)
N/A

>  <Target> (92)
Akt

>  <Form> (92)
Free Base

>  <CAS> (92)
937174-76-0

>  <URL> (92)
http://www.selleckchem.com/products/GSK690693.html

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csChFnd80/10212009122D

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>  <Mol_ID> (93)
93

>  <Formula> (93)
C21H20O6

>  <MolWeight> (93)
368.3799

>  <Cat> (93)
S1848

>  <Name> (93)
Curcumin

>  <Synonyms> (93)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (93)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (93)
Free Base

>  <CAS> (93)
458-37-7

>  <URL> (93)
http://www.selleckchem.com/products/Curcumin.html

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>  <Synonyms> (94)
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>  <Target> (94)
Aurora Kinase

>  <Form> (94)
Free Base

>  <CAS> (94)
942918-07-2

>  <URL> (94)
http://www.selleckchem.com/products/gsk1070916.html

$$$$
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>  <Mol_ID> (95)
95

>  <Formula> (95)
C27H36N6O3S

>  <MolWeight> (95)
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>  <Name> (95)
Fedratinib (SAR302503, TG101348)

>  <Synonyms> (95)
N/A

>  <Target> (95)
JAK 

>  <Form> (95)
Free Base

>  <CAS> (95)
936091-26-8

>  <URL> (95)
http://www.selleckchem.com/products/tg-101348.html

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/10212009122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (96)
96

>  <Formula> (96)
C24H26N2O4

>  <MolWeight> (96)
406.47424

>  <Cat> (96)
S1831

>  <Name> (96)
Carvedilol

>  <Synonyms> (96)
Coreg, Dilatrend

>  <Target> (96)
Adrenergic Receptor

>  <Form> (96)
Free Base

>  <CAS> (96)
72956-09-3

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

$$$$
MK-5108.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C22H21ClFN3O3S

>  <MolWeight> (97)
461.9368432

>  <Cat> (97)
S2770

>  <Name> (97)
MK-5108 (VX-689)

>  <Synonyms> (97)
N/A 

>  <Target> (97)
Aurora Kinase

>  <Form> (97)
Free Base

>  <CAS> (97)
1010085-13-8

>  <URL> (97)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10212009122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C20H22ClN3O2

>  <MolWeight> (98)
371.86058

>  <Cat> (98)
S2627

>  <Name> (98)
Tubastatin A hydrochloride

>  <Synonyms> (98)
N/A

>  <Target> (98)
HDAC

>  <Form> (98)
Hydrochloride

>  <CAS> (98)
1310693-92-5

>  <URL> (98)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
Paeoniflorin.cdx
csChFnd80/10212009122D

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23180-57-6 

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JAK, EGFR

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Free Base

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211555-04-3

>  <URL> (100)
http://www.selleckchem.com/products/whi-p154.html

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Free Base

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717907-75-0

>  <URL> (101)
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PKC

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133053-19-7

>  <URL> (102)
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163252-36-6

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http://www.selleckchem.com/products/clevudine-levovir.html

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2627-69-2

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1403764-72-6

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http://www.selleckchem.com/products/pfl-1.html

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354812-17-2

>  <URL> (107)
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  5  7  1  1  0  0  0
  1  8  1  6  0  0  0
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  2 10  1  6  0  0  0
 10 11  1  0  0  0  0
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 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 21 39  1  1  0  0  0
 17 40  1  6  0  0  0
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 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C32H37NO12

>  <MolWeight> (108)
627.63568

>  <Cat> (108)
S1393

>  <Name> (108)
Pirarubicin

>  <Synonyms> (108)
N/A

>  <Target> (108)
Topoisomerase

>  <Form> (108)
Free Base

>  <CAS> (108)
72496-41-4

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

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10212009122D

 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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C10H11NaO2

>  <MolWeight> (109)
186.18291

>  <Cat> (109)
S4125

>  <Name> (109)
Sodium Phenylbutyrate

>  <Synonyms> (109)
N/A

>  <Target> (109)
HDAC

>  <Form> (109)
Sodium Salt

>  <CAS> (109)
1716-12-7

>  <URL> (109)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10212009122D

 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
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0798    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C16H19N3O4S

>  <MolWeight> (110)
349.40476

>  <Cat> (110)
S2693

>  <Name> (110)
Resminostat (RAS2410)

>  <Synonyms> (110)
4SC-201, BYK408740

>  <Target> (110)
HDAC

>  <Form> (110)
Free Base

>  <CAS> (110)
864814-88-0

>  <URL> (110)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/10212009122D

 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> (111)
111

>  <Formula> (111)
C9H12ClNR

>  <MolWeight> (111)
169.65128

>  <Cat> (111)
S4246

>  <Name> (111)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (111)
N/A

>  <Target> (111)
MAO

>  <Form> (111)
Hydrochloride

>  <CAS> (111)
4548-34-9

>  <URL> (111)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Flufenamic acid.cdx
csChFnd80/10212009122D

 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
    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  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
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 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> (112)
112

>  <Formula> (112)
C14H10F3NO2

>  <MolWeight> (112)
281.2299096

>  <Cat> (112)
S4268

>  <Name> (112)
Flufenamic acid

>  <Synonyms> (112)
N/A

>  <Target> (112)
COX

>  <Form> (112)
Free Base

>  <CAS> (112)
530-78-9

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

$$$$
Tenovin-6 HCl.cdx
csChFnd80/10212009122D

 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
    7.2831    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.1370    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8528    1.3085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  2  0  0  0  0
 19 20  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 26  1  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
  9 10  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C25H35ClN4O2S

>  <MolWeight> (113)
491.089

>  <Cat> (113)
S4900

>  <Name> (113)
Tenovin-6

>  <Synonyms> (113)
N/A

>  <Target> (113)
p53,Sirtuin

>  <Form> (113)
Free Base

>  <CAS> (113)
1011557-82-6

>  <URL> (113)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10212009122D

 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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
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M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C13H22ClN3O

>  <MolWeight> (114)
271.78628

>  <Cat> (114)
S4294

>  <Name> (114)
Procainamide HCl

>  <Synonyms> (114)
N/A

>  <Target> (114)
Sodium Channel

>  <Form> (114)
Hydrochloride

>  <CAS> (114)
614-39-1

>  <URL> (114)
http://www.selleckchem.com/products/procainamide-hcl.html

$$$$
Daptomycin.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C72H101N17O26

>  <MolWeight> (115)
1620.67064

>  <Cat> (115)
S1373

>  <Name> (115)
Daptomycin

>  <Synonyms> (115)
LY146032

>  <Target> (115)
Others

>  <Form> (115)
Free Base

>  <CAS> (115)
103060-53-3

>  <URL> (115)
http://www.selleckchem.com/products/Daptomycin.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10212009122D

 38 40  0  0  0  0  0  0  0  0999 V2000
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    6.1760    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.8006    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 20  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
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 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  1  6  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C25H31N7O6

>  <MolWeight> (116)
525.55694

>  <Cat> (116)
S2018

>  <Name> (116)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (116)
N/A

>  <Target> (116)
FLT3

>  <Form> (116)
Free Base

>  <CAS> (116)
1291074-87-7

>  <URL> (116)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10212009122D

 31 32  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  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C21H28Cl2N6O2

>  <MolWeight> (117)
467.39202

>  <Cat> (117)
S1096

>  <Name> (117)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (117)
N/A

>  <Target> (117)
HDAC

>  <Form> (117)
Dihydrochloride

>  <CAS> (117)
875320-31-3

>  <URL> (117)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
Danthron.cdx
csChFnd80/10212009122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
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  7 14  2  0  0  0  0
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  9 13  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C14H8O4

>  <MolWeight> (118)
240.21092

>  <Cat> (118)
S4561

>  <Name> (118)
Danthron

>  <Synonyms> (118)
chrysazin, Antrapurol

>  <Target> (118)
Others

>  <Form> (118)
Free Base

>  <CAS> (118)
117-10-2

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

$$$$
Pantoprazole sodium.cdx
csChFnd80/10212009122D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.1061    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2406    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 22 23  1  0  0  0  0
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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C16H14F2N3NaO4S

>  <MolWeight> (119)
405.3516364

>  <Cat> (119)
S4538

>  <Name> (119)
Pantoprazole sodium

>  <Synonyms> (119)
SKF96022 sodium, BY-1023 sodium

>  <Target> (119)
Proton Pump

>  <Form> (119)
Free Base

>  <CAS> (119)
138786-67-1

>  <URL> (119)
http://www.selleckchem.com/products/pantoprazole-sodium.html

$$$$

csChFnd80/10212009122D

 29 27  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
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  7 12  2  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
 10 14  2  0  0  0  0
 12 15  1  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
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C20H28Cl3N3O3

>  <MolWeight> (120)
464.81362

>  <Cat> (120)
S4589

>  <Name> (120)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (120)
N/A

>  <Target> (120)
Transferase,Histone

>  <Form> (120)
dihydrochloride dihydrate

>  <CAS> (120)
6398-98-7

>  <URL> (120)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10212009122D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.9188    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7064    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1312    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C21H22ClNR

>  <MolWeight> (121)
323.85908

>  <Cat> (121)
S4635

>  <Name> (121)
Cyproheptadine hydrochloride

>  <Synonyms> (121)
Periactin hydrochloride, Peritol

>  <Target> (121)
5-HT Receptor

>  <Form> (121)
Hydrochloride Sesquihydrate

>  <CAS> (121)
41354-29-4

>  <URL> (121)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

$$$$
S4609 Diflunisal.cdx
csChFnd80/10212009122D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    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
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
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 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C13H8F2O3

>  <MolWeight> (122)
250.1976264

>  <Cat> (122)
S4609

>  <Name> (122)
Diflunisal

>  <Synonyms> (122)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (122)
COX

>  <Form> (122)
Free Base

>  <CAS> (122)
22494-42-4

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

$$$$
S4715 Benzamide.cdx
csChFnd80/10212009122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C7H7NO

>  <MolWeight> (123)
121.13658

>  <Cat> (123)
S4715

>  <Name> (123)
Benzamide

>  <Synonyms> (123)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (123)
Others

>  <Form> (123)
Free Base

>  <CAS> (123)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/10212009122D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C6H6N2O

>  <MolWeight> (124)
122.12464

>  <Cat> (124)
S4710

>  <Name> (124)
Picolinamide

>  <Synonyms> (124)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (124)
PARP

>  <Form> (124)
Free Base

>  <CAS> (124)
1452-77-3

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

$$$$
MK4827.cdx
csChFnd80/10212009122D

 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
 16 17  1  0  0  0  0
 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> (125)
125

>  <Formula> (125)
C19H20N4O

>  <MolWeight> (125)
320.3883

>  <Cat> (125)
S2741

>  <Name> (125)
MK-4827(Niraparib)

>  <Synonyms> (125)
N/A

>  <Target> (125)
PARP

>  <Form> (125)
Free Base

>  <CAS> (125)
1038915-60-4

>  <URL> (125)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10212009122D

 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
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   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> (126)
126

>  <Formula> (126)
C36H30O16

>  <MolWeight> (126)
718.6138

>  <Cat> (126)
S4735

>  <Name> (126)
Salvianolic acid B

>  <Synonyms> (126)
Lithospermate B

>  <Target> (126)
Others

>  <Form> (126)
Free Base

>  <CAS> (126)
121521-90-2

>  <URL> (126)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10212009122D

 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> (127)
127

>  <Formula> (127)
C11H8O3

>  <MolWeight> (127)
188.17942

>  <Cat> (127)
S3661

>  <Name> (127)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (127)
N/A

>  <Target> (127)
PKC

>  <Form> (127)
free base

>  <CAS> (127)
2348-82-5

>  <URL> (127)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/10212009122D

 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> (128)
128

>  <Formula> (128)
C6H14ClNO5

>  <MolWeight> (128)
215.63206

>  <Cat> (128)
S3694

>  <Name> (128)
Glucosamine hydrochloride

>  <Synonyms> (128)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (128)
Others

>  <Form> (128)
hydrochloride

>  <CAS> (128)
66-84-2

>  <URL> (128)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/10212009122D

 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
    2.4153    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    0.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    4.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487    4.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    6.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C11H12O5

>  <MolWeight> (129)
224.20998

>  <Cat> (129)
S3981

>  <Name> (129)
Sinapinic Acid

>  <Synonyms> (129)
Sinapic acid

>  <Target> (129)
Others

>  <Form> (129)
free base

>  <CAS> (129)
530-59-6

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10212009122D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C18H22O4

>  <MolWeight> (130)
302.36488

>  <Cat> (130)
S3984

>  <Name> (130)
Nordihydroguaiaretic acid

>  <Synonyms> (130)
N/A

>  <Target> (130)
lipoxygenase

>  <Form> (130)
free base

>  <CAS> (130)
500-38-9

>  <URL> (130)
http://www.selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C19H20O5

>  <MolWeight> (131)
328.3591

>  <Cat> (131)
S3819

>  <Name> (131)
Decursinol angelate

>  <Synonyms> (131)
N/A

>  <Target> (131)
PKC

>  <Form> (131)
free base

>  <CAS> (131)
130848-06-5

>  <URL> (131)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10212009122D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C17H26O4

>  <MolWeight> (132)
294.38594

>  <Cat> (132)
S3836

>  <Name> (132)
6-Gingerol

>  <Synonyms> (132)
CI-1011

>  <Target> (132)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (132)
free base

>  <CAS> (132)
23513-14-6

>  <URL> (132)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C40H58O4

>  <MolWeight> (133)
602.88612

>  <Cat> (133)
S3957

>  <Name> (133)
Gamma-Oryzanol

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
free base

>  <CAS> (133)
11042-64-1

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

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10212009122D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C24H26O6

>  <MolWeight> (134)
410.45964

>  <Cat> (134)
S3804

>  <Name> (134)
Alpha-Mangostin

>  <Synonyms> (134)
N/A

>  <Target> (134)
Others

>  <Form> (134)
free base

>  <CAS> (134)
1551491

>  <URL> (134)
http://www.selleckchem.com/products/alpha-mangostin.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (135)
135

>  <Formula> (135)
C20H24O11

>  <MolWeight> (135)
440.39796

>  <Cat> (135)
S3781

>  <Name> (135)
Ginkgolide C

>  <Synonyms> (135)
BN-52022

>  <Target> (135)
Others

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1338466-77-5

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    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2092    2.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280    6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    6.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    6.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    4.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C20H16N2O5

>  <MolWeight> (140)
364.35144

>  <Cat> (140)
S3898

>  <Name> (140)
Hydroxy Camptothecine

>  <Synonyms> (140)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (140)
DNA topoisomerase I

>  <Form> (140)
free base

>  <CAS> (140)
64439-81-2

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

$$$$
S4800 Daminozide.cdx
csChFnd80/10212009122D

 11 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C6H12N2O3

>  <MolWeight> (141)
160.17108

>  <Cat> (141)
S4800

>  <Name> (141)
Daminozide

>  <Synonyms> (141)
Aminozide, Succinic Acid

>  <Target> (141)
PHF8,KDM2A 

>  <Form> (141)
free base

>  <CAS> (141)
1596-84-5

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

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/10212009122D

 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
    2.8377    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    6.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C10H12O2

>  <MolWeight> (142)
164.20108

>  <Cat> (142)
S4771

>  <Name> (142)
¦Â-thujaplicin

>  <Synonyms> (142)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (142)
Others

>  <Form> (142)
free base

>  <CAS> (142)
499-44-5

>  <URL> (142)
http://www.selleckchem.com/products/beta-thujaplicin.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10212009122D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C32H40O8

>  <MolWeight> (143)
552.6552

>  <Cat> (143)
S3832

>  <Name> (143)
Euphorbiasteroid

>  <Synonyms> (143)
Euphorbia factor L1

>  <Target> (143)
Others

>  <Form> (143)
free base

>  <CAS> (143)
28649-59-4

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10212009122D

 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
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2069    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946    2.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1323    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308    3.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5048    3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4302    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8027    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9831    5.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   11.0407    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C25H36Cl2N2O3

>  <MolWeight> (144)
483.47094

>  <Cat> (144)
S5020

>  <Name> (144)
Tilorone dihydrochloride

>  <Synonyms> (144)
N/A

>  <Target> (144)
Anti-infection

>  <Form> (144)
dihydrochloride 

>  <CAS> (144)
27591-69-1

>  <URL> (144)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
Sodium valproate.cdx
csChFnd80/10212009122D

 11 10  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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C8H15NaO2

>  <MolWeight> (145)
166.19327

>  <Cat> (145)
S1168

>  <Name> (145)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (145)
N/A 

>  <Target> (145)
GABA Receptor, HDAC

>  <CAS> (145)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10212009122D

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    0.0000    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    2.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    2.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0026    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  1  0  0  0
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 26 21  1  0  0  0  0
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 31 32  2  0  0  0  0
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 11 36  1  6  0  0  0
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 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C29H36O15

>  <MolWeight> (146)
624.58714

>  <Cat> (146)
S2323

>  <Name> (146)
Methyl-Hesperidin

>  <Form> (146)
free base

>  <CAS> (146)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10212009122D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8162    9.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    8.8724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5283    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
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M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C19H19ClN6O4S3

>  <MolWeight> (147)
527.03996

>  <Cat> (147)
S1154

>  <Name> (147)
SNS-314 Mesylate

>  <Synonyms> (147)
N/A

>  <Target> (147)
Aurora Kinase

>  <Form> (147)
Mesylate

>  <CAS> (147)
1146618-41-8

>  <URL> (147)
http://www.selleckchem.com/products/SNS-314.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10212009122D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C11H6F3NO2S

>  <MolWeight> (148)
273.2310496

>  <Cat> (148)
S8005

>  <Name> (148)
SMI-4a

>  <Synonyms> (148)
N/A

>  <Target> (148)
Pim

>  <Form> (148)
Free Base

>  <CAS> (148)
438190-29-5

>  <URL> (148)
http://www.selleckchem.com/products/smi-4a.html

$$$$
ACY-1215.cdx
csChFnd80/10212009122D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (150)
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N/A

>  <Target> (150)
p53

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Free Base

>  <CAS> (150)
380315-80-0

>  <URL> (150)
http://www.selleckchem.com/products/tenovin-1.html

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UPF-1069.cdx
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151

>  <Formula> (151)
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UPF 1069

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N/A

>  <Target> (151)
PARP

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Free Base

>  <CAS> (151)
1048371-03-4

>  <URL> (151)
http://www.selleckchem.com/products/upf-1069.html

$$$$
(+)-JQ1.cdx
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>  <Mol_ID> (152)
152

>  <Formula> (152)
C23H25ClN4O2S

>  <MolWeight> (152)
456.9882

>  <Cat> (152)
S7110

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(+)-JQ1

>  <Synonyms> (152)
N/A

>  <Target> (152)
BET

>  <Form> (152)
Free Base

>  <CAS> (152)
1268524-70-4

>  <URL> (152)
http://www.selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
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>  <Name> (153)
GSK J4 HCl

>  <Synonyms> (153)
N/A

>  <Target> (153)
Histone Demethylase

>  <Form> (153)
Hydrochloride

>  <CAS> (153)
1373423-53-0(free base)

>  <URL> (153)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
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 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C9H12N2O5

>  <MolWeight> (154)
228.20198

>  <Cat> (154)
S7113

>  <Name> (154)
Zebularine

>  <Synonyms> (154)
N/A

>  <Target> (154)
DNA Methyltransferase

>  <Form> (154)
Free Base

>  <CAS> (154)
654065

>  <URL> (154)
https://www.selleckchem.com/products/zebularine.html

$$$$
AZD 2461.cdx
csChFnd80/10212009122D

 29 32  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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    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 10 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (155)
155

>  <Formula> (155)
C22H22FN3O3

>  <MolWeight> (155)
395.4267832

>  <Cat> (155)
S7029

>  <Name> (155)
AZD2461

>  <Synonyms> (155)
N/A

>  <Target> (155)
PARP

>  <Form> (155)
Free Base

>  <CAS> (155)
1174043-16-3

>  <URL> (155)
https://www.selleckchem.com/products/azd2461.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10212009122D

 19 19  0  0  0  0  0  0  0  0999 V2000
    5.6413    5.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8533    5.7651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0661    5.0658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    3.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550    2.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1508    3.5323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4301    2.9636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2846    1.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9154    1.2793    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.2782    5.7665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2686    2.9573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
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  9 10  1  0  0  0  0
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  3 18  1  0  0  0  0
 12 13  1  1  0  0  0
  9  6  1  1  0  0  0
 11 15  1  6  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C9H12ClF2N3O4

>  <MolWeight> (156)
299.6590864

>  <Cat> (156)
S1149

>  <Name> (156)
Gemcitabine HCl (Gemzar)

>  <Synonyms> (156)
Gemzar

>  <Target> (156)
DNA/RNA Synthesis

>  <Form> (156)
Hydrochloride

>  <CAS> (156)
122111-03-9

>  <URL> (156)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
Carboplatin.cdx
csChFnd80/10212009122D

 13 10  0  0  0  0  0  0  0  0999 V2000
    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2082    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3875    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.6331    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0851    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0851    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0674    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    3.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C6H12N2O4Pt

>  <MolWeight> (157)
371.24848

>  <Cat> (157)
S1215

>  <Name> (157)
Carboplatin

>  <Synonyms> (157)
Paraplatin

>  <Target> (157)
DNA/RNA Synthesis

>  <Form> (157)
Free Base

>  <CAS> (157)
41575-94-4

>  <URL> (157)
http://www.selleckchem.com/products/Carboplatin.html

$$$$
Camptothecine.cdx
csChFnd80/10212009122D

 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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  4  7  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
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
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 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C20H16N2O4

>  <MolWeight> (158)
348.35204

>  <Cat> (158)
S1288

>  <Name> (158)
Camptothecin

>  <Synonyms> (158)
N/A

>  <Target> (158)
Topoisomerase

>  <Form> (158)
Free Base

>  <CAS> (158)
2114454

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

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10212009122D

 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
    8.4828    2.7976    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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 18 19  1  0  0  0  0
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 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C16H18FN3O3

>  <MolWeight> (159)
319.3308232

>  <Cat> (159)
S1509

>  <Name> (159)
Norfloxacin (Norxacin)

>  <Synonyms> (159)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (159)
Others

>  <Form> (159)
Free Base

>  <CAS> (159)
70458-96-7

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

$$$$
CCT129202.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (160)
160

>  <Formula> (160)
C23H25ClN8OS

>  <MolWeight> (160)
497.0156

>  <Cat> (160)
S1519

>  <Name> (160)
CCT129202

>  <Synonyms> (160)
N/A

>  <Target> (160)
Aurora Kinase

>  <Form> (160)
Free Base

>  <CAS> (160)
942947-93-5

>  <URL> (160)
http://www.selleckchem.com/products/CCT129202.html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10212009122D

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>  <Mol_ID> (161)
161

>  <Formula> (161)
C9H13N3O5

>  <MolWeight> (161)
243.21662

>  <Cat> (161)
S1648

>  <Name> (161)
Cytarabine

>  <Synonyms> (161)
N/A 

>  <Target> (161)
Others

>  <Form> (161)
Free Base

>  <CAS> (161)
147-94-4

>  <URL> (161)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
Sodium butyrate.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (162)
162

>  <Formula> (162)
C4H7NaO2

>  <MolWeight> (162)
110.08695

>  <Cat> (162)
S1999

>  <Name> (162)
Sodium butyrate

>  <Synonyms> (162)
Butyric acid sodium salt

>  <Target> (162)
HDAC

>  <Form> (162)
Sodium Salt

>  <CAS> (162)
156-54-7

>  <URL> (162)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10212009122D

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163

>  <Formula> (163)
C8H9ClN4

>  <MolWeight> (163)
196.63686

>  <Cat> (163)
S2562

>  <Name> (163)
Hydralazine hydrochloride

>  <Synonyms> (163)
Apresoline

>  <Target> (163)
Others

>  <Form> (163)
Hydrochloride

>  <CAS> (163)
304-20-1

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

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (164)
164

>  <Formula> (164)
C12H20ClN3O

>  <MolWeight> (164)
257.7597

>  <Cat> (164)
S1995

>  <Name> (164)
Procarbazine hydrochloride (Matulane)

>  <Synonyms> (164)
N/A 

>  <Target> (164)
DNA/RNA

>  <Form> (164)
Hydrochloride

>  <CAS> (164)
366-70-1

>  <URL> (164)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

$$$$
CCT137690.cdx
csChFnd80/10212009122D

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Aurora Kinase

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Free Base

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1095382-05-0

>  <URL> (165)
http://www.selleckchem.com/products/cct137690.html

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CPI-169

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N/A

>  <Target> (166)
Histone Methyltransferase

>  <Form> (166)
Free Base

>  <CAS> (166)
1450655-76-1

>  <URL> (166)
http://www.selleckchem.com/products/cpi-169.html

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BI-847325.cdx
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BI-847325

>  <Synonyms> (167)
N/A

>  <Target> (167)
MEK

>  <Form> (167)
Free Base

>  <CAS> (167)
1207293-36-4

>  <URL> (167)
http://www.selleckchem.com/products/bi-847325.html

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AMI-1.cdx
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AMI-1

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N/A

>  <Target> (168)
Histone Methyltransferase

>  <Form> (168)
disodium salt

>  <CAS> (168)
20324-87-2

>  <URL> (168)
http://www.selleckchem.com/products/ami-1.html

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64224-21-1

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1226895-15-3

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 18 23  1  0  0  0  0
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 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C20H21NO4S

>  <MolWeight> (173)
371.45004

>  <Cat> (173)
S7231

>  <Name> (173)
GSK2801

>  <Synonyms> (173)
N/A

>  <Target> (173)
Epigenetic Reader Domain

>  <Form> (173)
Free Base

>  <CAS> (173)
1619994-68-1

>  <URL> (173)
http://www.selleckchem.com/products/gsk2801.html

$$$$
SirReal2.cdx
csChFnd80/10212009122D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C22H20N4OS2

>  <MolWeight> (174)
420.5504

>  <Cat> (174)
S7845

>  <Name> (174)
SirReal2

>  <Synonyms> (174)
N/A

>  <Target> (174)
Sirtuin

>  <Form> (174)
Free Base

>  <CAS> (174)
709002-46-0

>  <URL> (174)
http://www.selleck.cn/products/sirreal2.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/10212009122D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    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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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C8H16O2

>  <MolWeight> (175)
144.21144

>  <Cat> (175)
S3944

>  <Name> (175)
Valproic acid

>  <Synonyms> (175)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (175)
HDAC1

>  <Form> (175)
free base

>  <CAS> (175)
99-66-1

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

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/10212009122D

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    1.2124    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.6114    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C54H83NaO23

>  <MolWeight> (176)
1123.21279

>  <Cat> (176)
S3770

>  <Name> (176)
Sodium Aescinate

>  <Synonyms> (176)
Escin sodium salt

>  <Target> (176)
Others

>  <Form> (176)
sodium salt

>  <CAS> (176)
20977-05-3

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

$$$$
WT161.cdx
csChFnd80/10212009122D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C27H30N4O3

>  <MolWeight> (177)
458.5521

>  <Cat> (177)
S8495

>  <Name> (177)
WT161

>  <Synonyms> (177)
N/A

>  <Target> (177)
HDAC1,2,6

>  <Form> (177)
free base

>  <CAS> (177)
1206731-57-8

>  <URL> (177)
http://www.selleckchem.com/products/wt161.html

$$$$
Bromosporine.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C17H20N6O4S

>  <MolWeight> (178)
404.4435

>  <Cat> (178)
S7233

>  <Name> (178)
Bromosporine

>  <Synonyms> (178)
N/A

>  <Target> (178)
Epigenetic Reader Domain

>  <Form> (178)
Free Base

>  <URL> (178)
http://www.selleckchem.com/products/bromosporine.html

$$$$
192441-08-0.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C10H8BrN5OS

>  <MolWeight> (179)
326.17242

>  <Cat> (179)
S8056

>  <Name> (179)
Lomeguatrib

>  <Synonyms> (179)
PaTrin-2

>  <Target> (179)
DNA Methyltransferase

>  <Form> (179)
Free Base

>  <CAS> (179)
192441-08-0

>  <URL> (179)
http://www.selleckchem.com/products/lomeguatrib.html

$$$$
EPZ005687.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (180)
180

>  <Formula> (180)
C32H37N5O3

>  <MolWeight> (180)
539.66788

>  <Cat> (180)
S7004

>  <Name> (180)
EPZ005687

>  <Synonyms> (180)
N/A

>  <Target> (180)
Histone Methyltransferase

>  <Form> (180)
Free Base

>  <CAS> (180)
1396772-26-1

>  <URL> (180)
http://www.selleckchem.com/products/epz005687.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C22H22ClN5O2

>  <MolWeight> (181)
423.89538

>  <Cat> (181)
S7189

>  <Name> (181)
I-BET-762

>  <Synonyms> (181)
GSK525762, GSK525762A

>  <Target> (181)
Epigenetic Reader Domain

>  <Form> (181)
Free Base

>  <CAS> (181)
1260907-17-2

>  <URL> (181)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C16H10BrN3O2

>  <MolWeight> (182)
356.1735

>  <Cat> (182)
S7198

>  <Name> (182)
BIO

>  <Synonyms> (182)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (182)
GSK-3

>  <Form> (182)
Free Base

>  <CAS> (182)
667463-62-9

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

$$$$
RGFP966.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C21H19FN4O

>  <MolWeight> (183)
362.4001632

>  <Cat> (183)
S7229

>  <Name> (183)
RGFP966

>  <Synonyms> (183)
N/A

>  <Target> (183)
HDAC

>  <Form> (183)
Free Base

>  <CAS> (183)
1396841-57-8

>  <URL> (183)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C23H26ClNO

>  <MolWeight> (184)
367.91164

>  <Cat> (184)
S8004

>  <Name> (184)
ZM 39923 HCl

>  <Synonyms> (184)
N/A

>  <Target> (184)
JAK

>  <Form> (184)
HCl

>  <CAS> (184)
1021868-92-7

>  <URL> (184)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C28H40BrN7O4

>  <MolWeight> (185)
618.5657

>  <Cat> (185)
S7079

>  <Name> (185)
SGC 0946

>  <Synonyms> (185)
N/A

>  <Target> (185)
Histone Methyltransferase

>  <Form> (185)
Free Base

>  <URL> (185)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (186)
186

>  <Formula> (186)
C26H27N5O5S2

>  <MolWeight> (186)
553.65308

>  <Cat> (186)
S7207

>  <Name> (186)
Ro 31-8220 Mesylate

>  <Synonyms> (186)
Bisindolylmaleimide IX Mesylate

>  <Target> (186)
PKC

>  <Form> (186)
Mesylate

>  <CAS> (186)
138489-18-6

>  <URL> (186)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C27H23N7O

>  <MolWeight> (187)
461.51782

>  <Cat> (187)
S7276

>  <Name> (187)
SGI-1027

>  <Synonyms> (187)
DNA Methyltransferase Inhibitor II

>  <Target> (187)
DNA Methyltransferase

>  <Form> (187)
Free Base

>  <CAS> (187)
1020149-73-8

>  <URL> (187)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10212009122D

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>  <Mol_ID> (188)
188

>  <Formula> (188)
C24H27Cl2N5O

>  <MolWeight> (188)
472.41008

>  <Cat> (188)
S7306

>  <Name> (188)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (188)
BML-275,Compound C

>  <Target> (188)
AMPK

>  <Form> (188)
Dihydrochloride

>  <CAS> (188)
1219168-18-9

>  <URL> (188)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/10212009122D

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>  <Mol_ID> (189)
189

>  <Formula> (189)
C34H44N4O4

>  <MolWeight> (189)
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S7128

>  <Name> (189)
Tazemetostat (EPZ-6438)

>  <Synonyms> (189)
E7438

>  <Target> (189)
Histone Methyltransferase

>  <Form> (189)
Free Base

>  <CAS> (189)
1403254-99-8

>  <URL> (189)
http://www.selleckchem.com/products/epz-6438.html

$$$$
RVX-208(RVX-000222).cdx
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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C20H22N2O5

>  <MolWeight> (190)
370.39908

>  <Cat> (190)
S7295

>  <Name> (190)
RVX-208(RVX-000222)

>  <Synonyms> (190)
RVX-000222

>  <Target> (190)
Epigenetic Reader Domain

>  <Form> (190)
Free Base

>  <CAS> (190)
1044870-39-4

>  <URL> (190)
http://www.selleckchem.com/products/rvx-208.html

$$$$
XL019.cdx
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>  <Mol_ID> (191)
191

>  <Formula> (191)
C25H28N6O2

>  <MolWeight> (191)
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S7036

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XL019

>  <Synonyms> (191)
N/A

>  <Target> (191)
JAK

>  <Form> (191)
Free Base

>  <CAS> (191)
945755-56-6

>  <URL> (191)
http://www.selleckchem.com/products/xl019.html

$$$$
UNC1999.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (192)
192

>  <Formula> (192)
C33H43N7O2

>  <MolWeight> (192)
569.74022

>  <Cat> (192)
S7165

>  <Name> (192)
UNC1999

>  <Synonyms> (192)
N/A

>  <Target> (192)
Histone Methyltransferase

>  <Form> (192)
Free Base

>  <CAS> (192)
1431612-23-5

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Histone demethylases

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199596-05-9

>  <URL> (193)
http://www.selleckchem.com/products/jib-04.html

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Histone Methyltransferase

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Free Base

>  <CAS> (194)
1417329-24-8

>  <URL> (194)
http://www.selleckchem.com/products/mm-102.html

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JAK

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937272-79-2

>  <URL> (195)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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RG2833 (RGFP109)

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HDAC

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Free Base

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1215493-56-3

>  <URL> (196)
http://www.selleckchem.com/products/rg2833-rgfp109.html

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>  <Formula> (197)
C21H21ClF3N7O3S

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PF-562271 HCl

>  <Synonyms> (197)
N/A

>  <Target> (197)
FAK

>  <Form> (197)
Hydrochloride

>  <URL> (197)
http://www.selleckchem.com/products/pf-562271-hcl.html

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>  <Mol_ID> (198)
198

>  <Formula> (198)
C25H29ClN6O3

>  <MolWeight> (198)
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S7317

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WZ4003

>  <Synonyms> (198)
N/A

>  <Target> (198)
AMPK

>  <Form> (198)
Free Base

>  <CAS> (198)
1214265-58-3

>  <URL> (198)
http://www.selleckchem.com/products/wz4003.html

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199

>  <Formula> (199)
C28H33ClN4O3

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>  <Cat> (199)
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SGC-CBP30

>  <Synonyms> (199)
N/A

>  <Target> (199)
Epigenetic Reader Domain

>  <Form> (199)
Free Base

>  <URL> (199)
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1445251-22-8

>  <URL> (201)
http://www.selleckchem.com/products/me0328.html

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1314241-44-5

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M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C21H18F3N3O3S2

>  <MolWeight> (205)
481.5111296

>  <Cat> (205)
S7241

>  <Name> (205)
AGI-6780

>  <Synonyms> (205)
N/A

>  <Target> (205)
Dehydrogenase

>  <Form> (205)
Free Base 

>  <CAS> (205)
1432660-47-3

>  <URL> (205)
http://www.selleckchem.com/products/agi-6780.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C6H9NO5

>  <MolWeight> (206)
175.13936

>  <Cat> (206)
S7483

>  <Name> (206)
DMOG

>  <Synonyms> (206)
Dimethyloxalylglycine

>  <Target> (206)
Hydroxylase

>  <Form> (206)
Free Base

>  <CAS> (206)
89464-63-1

>  <URL> (206)
http://www.selleckchem.com/products/dmog.html

$$$$
OG-L002.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (207)
207

>  <Formula> (207)
C15H15NO

>  <MolWeight> (207)
225.2857

>  <Cat> (207)
S7237

>  <Name> (207)
OG-L002

>  <Synonyms> (207)
N/A

>  <Target> (207)
Histone demethylases

>  <Form> (207)
Free Base

>  <CAS> (207)
1357302-64-7

>  <URL> (207)
http://www.selleckchem.com/products/og-l002.html

$$$$
C646.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (208)
208

>  <Formula> (208)
C24H19N3O6

>  <MolWeight> (208)
445.42416

>  <Cat> (208)
S7152

>  <Name> (208)
C646

>  <Synonyms> (208)
N/A

>  <Target> (208)
Histone Acetyltransferase

>  <Form> (208)
Free Base

>  <CAS> (208)
328968-36-1

>  <URL> (208)
http://www.selleckchem.com/products/c646.html

$$$$
UNC1215.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (209)
209

>  <Formula> (209)
C32H43N5O2

>  <MolWeight> (209)
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>  <Cat> (209)
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>  <Name> (209)
UNC1215

>  <Synonyms> (209)
N/A

>  <Target> (209)
Epigenetic Reader Domain

>  <Form> (209)
Free Base

>  <CAS> (209)
1415800-43-9

>  <URL> (209)
http://www.selleckchem.com/products/nuc1215.html

$$$$
WIKI4.cdx
csChFnd80/10212009122D

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210

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C29H23N5O3S

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WIKI4

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N/A

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Wnt/beta-catenin

>  <Form> (210)
Free Base

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838818-26-1

>  <URL> (210)
http://www.selleckchem.com/products/wiki4.html

$$$$
IOX1.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (211)
211

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C10H7NO3

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189.16748

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S7234

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IOX1

>  <Synonyms> (211)
N/A

>  <Target> (211)
Histone demethylases

>  <Form> (211)
Free Base

>  <CAS> (211)
5852-78-8

>  <URL> (211)
http://www.selleckchem.com/products/iox1.html

$$$$
AZD1208.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (212)
212

>  <Formula> (212)
C21H21N3O2S

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379.47534

>  <Cat> (212)
S7104

>  <Name> (212)
AZD1208

>  <Synonyms> (212)
N/A

>  <Target> (212)
Pim

>  <Form> (212)
Free Base

>  <CAS> (212)
1204144-28-4

>  <URL> (212)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C26H25Cl2N3O3

>  <MolWeight> (213)
498.401

>  <Cat> (213)
S7041

>  <Name> (213)
CX-6258 HCl

>  <Synonyms> (213)
N/A

>  <Target> (213)
Pim

>  <Form> (213)
Hydrochloride

>  <CAS> (213)
1353859-00-3

>  <URL> (213)
http://www.selleckchem.com/products/CX-6258.html

$$$$
CPI203 .cdx
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Epigenetic Reader Domain

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1446144-04-2

>  <URL> (214)
http://www.selleckchem.com/products/cpi-203.html

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HDAC

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Free Base

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1314890-29-3

>  <URL> (215)
http://www.selleckchem.com/products/tmp269.html

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>  <Mol_ID> (216)
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>  <Target> (216)
CDK

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1169562-71-3

>  <URL> (216)
http://www.selleckchem.com/products/xl413-bms-863233.html

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>  <Target> (217)
Histone Acetyltransferase

>  <Form> (217)
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>  <CAS> (217)
1243583-85-8

>  <URL> (217)
http://www.selleckchem.com/products/mg149.html

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  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C26H26F3N7O2

>  <MolWeight> (218)
525.5255496

>  <Cat> (218)
S7309

>  <Name> (218)
BAY 87-2243

>  <Synonyms> (218)
N/A

>  <Target> (218)
HIF

>  <Form> (218)
Free Base

>  <CAS> (218)
1227158-85-1

>  <URL> (218)
http://www.selleckchem.com/products/bay-87-2243.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/10212009122D

 20 20  0  0  0  0  0  0  0  0999 V2000
   14.5492    3.5000    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
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 15  2  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C15H22N2O3

>  <MolWeight> (219)
278.34678

>  <Cat> (219)
S7595

>  <Name> (219)
Santacruzamate A (CAY10683)

>  <Synonyms> (219)
N/A

>  <Target> (219)
HDAC

>  <Form> (219)
Free Base

>  <CAS> (219)
1477949-42-0

>  <URL> (219)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/10212009122D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 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
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C21H23N5O3S

>  <MolWeight> (220)
425.50402

>  <Cat> (220)
S7605

>  <Name> (220)
Filgotinib£¨GLPG0643)

>  <Synonyms> (220)
N/A

>  <Target> (220)
JAK

>  <Form> (220)
Free Base

>  <CAS> (220)
1206161-97-8

>  <URL> (220)
http://www.selleckchem.com/products/filgotinib.html

$$$$
PFI-3.cdx
csChFnd80/10212009122D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  8  9  2  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 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  1  0  0  0
 14 16  1  1  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C19H19N3O2

>  <MolWeight> (221)
321.37306

>  <Cat> (221)
S7315

>  <Name> (221)
PFI-3

>  <Synonyms> (221)
N/A

>  <Target> (221)
Epigenetic Reader Domain

>  <Form> (221)
Free Base

>  <URL> (221)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/10212009122D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 23 24  1  0  0  0  0
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 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C20H17F3N2O4

>  <MolWeight> (222)
406.3551896

>  <Cat> (222)
S7617

>  <Name> (222)
Tasquinimod

>  <Synonyms> (222)
ABR-215050

>  <Target> (222)
HDAC

>  <Form> (222)
Free Base

>  <CAS> (222)
254964-60-8

>  <URL> (222)
http://www.selleckchem.com/products/tasquinimod.html

$$$$
Anacardic Acid.cdx
csChFnd80/10212009122D

 25 25  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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   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
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    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
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C22H36O3

>  <MolWeight> (223)
348.51944

>  <Cat> (223)
S7582

>  <Name> (223)
Anacardic Acid

>  <Synonyms> (223)
6-pentadecylsalicylic Acid

>  <Target> (223)
Histone Acetyltransferase

>  <Form> (223)
Free Base

>  <CAS> (223)
16611-84-0

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

$$$$
Splitomicin.cdx
csChFnd80/10212009122D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C13H10O2

>  <MolWeight> (224)
198.2173

>  <Cat> (224)
S7593

>  <Name> (224)
Splitomicin

>  <Synonyms> (224)
N/A

>  <Target> (224)
Sirtuin

>  <Form> (224)
Free Base

>  <CAS> (224)
1384339

>  <URL> (224)
http://www.selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/10212009122D

 32 37  0  0  0  0  0  0  0  0999 V2000
    3.6873    8.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    7.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6989    5.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9011    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    4.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3195   10.5224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1847    4.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1172    5.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6790    6.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8920    2.8014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2579    3.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3985    4.4922    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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  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C27H27N5

>  <MolWeight> (225)
421.53678

>  <Cat> (225)
S7343

>  <Name> (225)
URMC-099

>  <Synonyms> (225)
N/A

>  <Target> (225)
Others

>  <Form> (225)
Free Base

>  <CAS> (225)
1229582-33-5

>  <URL> (225)
http://www.selleckchem.com/products/urmc-099.html

$$$$
PFI-2.cdx
csChFnd80/10212009122D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9119    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   10.5544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10  2  1  0  0  0  0
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  5 12  1  0  0  0  0
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 15 16  2  0  0  0  0
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 14 20  1  6  0  0  0
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 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 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 17 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C23H25F4N3O3S

>  <MolWeight> (226)
499.5215128

>  <Cat> (226)
S7294

>  <Name> (226)
PFI-2 HCl

>  <Synonyms> (226)
N/A

>  <Target> (226)
Histone Methyltransferase

>  <Form> (226)
Hydrochloride

>  <CAS> (226)
1627676-59-8

>  <URL> (226)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8876   11.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3124   11.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6439   11.6393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9674    2.6838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326    2.6838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668   10.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   11.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    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
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C18H25N5S2

>  <MolWeight> (227)
375.5546

>  <Cat> (227)
S7619

>  <Name> (227)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (227)
N/A

>  <Target> (227)
Histone Methyltransferase

>  <Form> (227)
Free Base

>  <CAS> (227)
1271738-59-0

>  <URL> (227)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
G-749.cdx
csChFnd80/10212009122D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4249   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C25H25BrN6O2

>  <MolWeight> (228)
521.409

>  <Cat> (228)
S7545

>  <Name> (228)
G-749

>  <Synonyms> (228)
N/A

>  <Target> (228)
FLT3

>  <Form> (228)
Free Base

>  <CAS> (228)
1457983-28-6

>  <URL> (228)
http://www.selleckchem.com/products/g-749.html

$$$$
Nedaplatin.cdx
csChFnd80/10212009122D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
    3.1062    1.0404    0.0000 Pt  0  0  0  0  0  0  0  5  2  0  0  0
    2.4062    2.2528    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
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    2.1694    0.0000    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    0.0000    2.8953    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    6.5243    3.4968    0.0000 R   0  0  0  0  0  0  0  1  1  1  0  0
    6.5243    0.0697    0.0000 R   0  0  0  0  0  0  0  2  3  1  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  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (229)
269.11348

>  <Cat> (229)
S1826

>  <Name> (229)
Nedaplatin

>  <Synonyms> (229)
N/A

>  <Target> (229)
DNA/RNA Synthesis

>  <Form> (229)
Free Base

>  <CAS> (229)
95734-82-0

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

$$$$
GF 109203X(G 6850).cdx
csChFnd80/10212009122D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.1450    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C25H24N4O2

>  <MolWeight> (230)
412.48366

>  <Cat> (230)
S7208

>  <Name> (230)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (230)
GO 6850

>  <Target> (230)
PKC

>  <Form> (230)
Free Base

>  <CAS> (230)
133052-90-1

>  <URL> (230)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/10212009122D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 22  1  0  0  0  0
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M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C17H18ClN3O2

>  <MolWeight> (231)
331.79672

>  <Cat> (231)
S7300

>  <Name> (231)
PJ34 hcl

>  <Synonyms> (231)
N/A

>  <Target> (231)
PARP

>  <Form> (231)
Hydrochloride

>  <CAS> (231)
344458-15-7

>  <URL> (231)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10212009122D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   13.3368    1.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
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232

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>  <Name> (232)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (232)
N/A

>  <Target> (232)
JAK

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Hydrochloride

>  <CAS> (232)
1369761-01-2

>  <URL> (232)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
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csChFnd80/10212009122D

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MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (233)
N/A

>  <Target> (233)
Histone Methyltransferase

>  <Form> (233)
Free Base

>  <CAS> (233)
1271738-62-5

>  <URL> (233)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/10212009122D

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234

>  <Formula> (234)
C19H20ClN3O5S

>  <MolWeight> (234)
437.8972

>  <Cat> (234)
S7680

>  <Name> (234)
SP2509

>  <Synonyms> (234)
N/A

>  <Target> (234)
Histone Demethylase

>  <Form> (234)
Free Base

>  <CAS> (234)
1423715-09-6

>  <URL> (234)
http://www.selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/10212009122D

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235

>  <Formula> (235)
C25H23ClN2O3

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S7620

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GSK1324726A (I-BET726)

>  <Synonyms> (235)
N/A

>  <Target> (235)
Epigenetic Reader Domain

>  <Form> (235)
Free Base

>  <CAS> (235)
1300031-52-0

>  <URL> (235)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
BRD4770.cdx
csChFnd80/10212009122D

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236

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C25H23N3O3

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BRD4770

>  <Synonyms> (236)
N/A

>  <Target> (236)
Histone Methyltransferase

>  <Form> (236)
Free Base

>  <CAS> (236)
1374601-40-7

>  <URL> (236)
http://www.selleckchem.com/products/brd4770.html

$$$$
PX-478 2HCl.cdx
csChFnd80/10212009122D

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PX-478 2HCl

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N/A

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HIF

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Dihydrochlorid

>  <CAS> (237)
685898-44-6

>  <URL> (237)
http://www.selleckchem.com/products/px-478-2hcl.html

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Reversine.cdx
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Reversine

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N/A

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Adenosine Receptor

>  <Form> (238)
Free Base

>  <CAS> (238)
656820-32-5

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

$$$$
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CAY10603

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HDAC

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Free Base

>  <CAS> (239)
1045792-66-2

>  <URL> (239)
http://www.selleckchem.com/products/cay10603.html

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HDAC

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1418033-25-6

>  <URL> (240)
http://www.selleckchem.com/products/lmk-235.html

$$$$
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M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C23H35N5O2

>  <MolWeight> (246)
413.5563

>  <Cat> (246)
S7570

>  <Name> (246)
UNC0379

>  <Synonyms> (246)
N/A

>  <Target> (246)
Histone Methyltransferase

>  <Form> (246)
Free Base

>  <CAS> (246)
1620401-82-2

>  <URL> (246)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C14H22Cl2N2

>  <MolWeight> (247)
289.24388

>  <Cat> (247)
S7574

>  <Name> (247)
GSK-LSD1 2HCl

>  <Synonyms> (247)
N/A

>  <Target> (247)
Histone Demethylase

>  <Form> (247)
Dihydrochloride

>  <CAS> (247)
1431368-48-7

>  <URL> (247)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C31H38N6O2

>  <MolWeight> (248)
526.67242

>  <Cat> (248)
S7061

>  <Name> (248)
GSK126

>  <Synonyms> (248)
N/A

>  <Target> (248)
Histone Methyltransferase

>  <Form> (248)
Free Base

>  <CAS> (248)
1346574-57-9

>  <URL> (248)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C20H25N5O3

>  <MolWeight> (249)
383.4442

>  <Cat> (249)
S7748

>  <Name> (249)
EPZ015666

>  <Synonyms> (249)
N/A

>  <Target> (249)
Histone Methyltransferase

>  <Form> (249)
Free Base

>  <CAS> (249)
1616391-65-1

>  <URL> (249)
http://www.selleckchem.com/products/epz015666.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/10212009122D

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GSK J1

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N/A

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Histone Demethylase

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Free Base

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1373422-53-7

>  <URL> (255)
http://www.selleckchem.com/products/gsk-j1.html

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BG45

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HDAC

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Free Base

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926259-99-6

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http://www.selleckchem.com/products/bg45.html

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HTH-01-015.cdx
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257

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C26H28N8O

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HTH-01-015

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N/A

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AMPK

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Free Base

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1613724-42-7

>  <URL> (257)
http://www.selleckchem.com/products/hth-01-015.html

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Dorsomorphin.cdx
csChFnd80/10212009122D

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866405-64-3

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259

>  <Formula> (259)
C16H16Cl4N2O4S4

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KC7F2

>  <Synonyms> (259)
N/A

>  <Target> (259)
HIF

>  <Form> (259)
Free Base

>  <CAS> (259)
927822-86-4

>  <URL> (259)
http://www.selleckchem.com/products/kc7f2.html

$$$$
PFI-4.cdx
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>  <Mol_ID> (260)
260

>  <Formula> (260)
C21H24N4O3

>  <MolWeight> (260)
380.44026

>  <Cat> (260)
S7906

>  <Name> (260)
PFI-4

>  <Synonyms> (260)
N/A

>  <Target> (260)
Epigenetic Reader Domain

>  <Form> (260)
Free Base

>  <CAS> (260)
900305-37-5

>  <URL> (260)
http://www.selleckchem.com/products/pfi-4.html

$$$$
ASP015K.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (261)
261

>  <Formula> (261)
C18H22N4O2

>  <MolWeight> (261)
326.39288

>  <Cat> (261)
S7650

>  <Name> (261)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (261)
N/A

>  <Target> (261)
JAK

>  <Form> (261)
Free Base

>  <CAS> (261)
944118-01-8

>  <URL> (261)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
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>  <Mol_ID> (262)
262

>  <Formula> (262)
C26H20ClN3O5

>  <MolWeight> (262)
489.9071

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S7898

>  <Name> (262)
GSK621

>  <Synonyms> (262)
N/A

>  <Target> (262)
AMPK

>  <Form> (262)
Free Base

>  <CAS> (262)
1346607-05-3

>  <URL> (262)
http://www.selleckchem.com/products/gsk621.html

$$$$
ORY-1001.cdx
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>  <Mol_ID> (263)
263

>  <Formula> (263)
C15H24Cl2N2

>  <MolWeight> (263)
303.27046

>  <Cat> (263)
S7795

>  <Name> (263)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (263)
N/A

>  <Target> (263)
Histone Demethylase

>  <Form> (263)
Dihydrochloride

>  <CAS> (263)
1431326-61-2

>  <URL> (263)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
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M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C18H19F3N6O

>  <MolWeight> (264)
392.3782696

>  <Cat> (264)
S7541

>  <Name> (264)
Decernotinib (VX-509)

>  <Synonyms> (264)
N/A

>  <Target> (264)
JAK

>  <Form> (264)
Free Base

>  <CAS> (264)
944842-54-0

>  <URL> (264)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/10212009122D

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>  <Mol_ID> (265)
265

>  <Formula> (265)
C24H20Cl2FN5O2

>  <MolWeight> (265)
500.3523032

>  <Cat> (265)
S7709

>  <Name> (265)
VX-11e

>  <Synonyms> (265)
VTX-11e, Vertex-11e

>  <Target> (265)
ERK

>  <Form> (265)
Free Base

>  <CAS> (265)
896720-20-0

>  <URL> (265)
http://www.selleckchem.com/products/vx-11e.html

$$$$
Mitomycin C.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C15H18N4O5

>  <MolWeight> (266)
334.32722

>  <Cat> (266)
S8146

>  <Name> (266)
Mitomycin C

>  <Synonyms> (266)
N/A
N/A
N/A

>  <Target> (266)
DNA/RNA Synthesis

>  <Form> (266)
Free Base

>  <CAS> (266)
18451

>  <URL> (266)
http://www.selleckchem.com/products/mitomycin-c.html

$$$$
NVP-TNKS656.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C27H34N4O5

>  <MolWeight> (267)
494.58266

>  <Cat> (267)
S7238

>  <Name> (267)
NVP-TNKS656

>  <Synonyms> (267)
N/A

>  <Target> (267)
PARP

>  <Form> (267)
Free Base

>  <CAS> (267)
1419949-20-4

>  <URL> (267)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/10212009122D

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   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C12H9ClN2O4

>  <MolWeight> (268)
280.66386

>  <Cat> (268)
S7979

>  <Name> (268)
FG-2216

>  <Synonyms> (268)
N/A

>  <Target> (268)
HIF

>  <Form> (268)
Free Base

>  <CAS> (268)
223387-75-5

>  <URL> (268)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 N   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 15  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C16H18N4O2

>  <MolWeight> (269)
298.33972

>  <Cat> (269)
S7832

>  <Name> (269)
SGC707

>  <Synonyms> (269)
N/A

>  <Target> (269)
Histone Methyltransferase

>  <Form> (269)
Free Base

>  <CAS> (269)
1687736-54-4

>  <URL> (269)
http://www.selleckchem.com/products/sgc707.html

$$$$
Cucurbitacin B.cdx
csChFnd80/10212009122D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
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 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C32H46O8

>  <MolWeight> (270)
558.70284

>  <Cat> (270)
S8165

>  <Name> (270)
Cucurbitacin B

>  <Synonyms> (270)
N/A

>  <Target> (270)
Microtubule Associated

>  <Form> (270)
Free Base

>  <CAS> (270)
6199-67-3

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

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/10212009122D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.8918    2.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12  8  1  0  0  0  0
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M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C13H14N8O2

>  <MolWeight> (271)
314.30266

>  <Cat> (271)
S8138

>  <Name> (271)
Molidustat(BAY 85-3934)

>  <Synonyms> (271)
N/A

>  <Target> (271)
HIF

>  <Form> (271)
Free Base

>  <CAS> (271)
1154028-82-6

>  <URL> (271)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Mirin.cdx
csChFnd80/10212009122D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8229    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C10H8N2O2S

>  <MolWeight> (272)
220.24772

>  <Cat> (272)
S8096

>  <Name> (272)
Mirin

>  <Synonyms> (272)
N/A

>  <Target> (272)
ATM/ATR

>  <Form> (272)
Free Base

>  <CAS> (272)
1198097-97-0

>  <URL> (272)
http://www.selleckchem.com/products/mirin.html

$$$$
GSK2879552.cdx
csChFnd80/10212009122D

 29 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (273)
273

>  <Formula> (273)
C23H30Cl2N2O2

>  <MolWeight> (273)
437.4025

>  <Cat> (273)
S7796

>  <Name> (273)
GSK2879552 2HCl

>  <Synonyms> (273)
N/A

>  <Target> (273)
Histone Demethylase

>  <Form> (273)
Dihydrochloride

>  <CAS> (273)
1401966-69-5

>  <URL> (273)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C19H27N3O6

>  <MolWeight> (274)
393.43418

>  <Cat> (274)
S8171

>  <Name> (274)
Daprodustat (GSK1278863)

>  <Synonyms> (274)
N/A

>  <Target> (274)
HIF

>  <Form> (274)
Free Base

>  <CAS> (274)
960539-70-2

>  <URL> (274)
http://www.selleckchem.com/products/daprodustat.html

$$$$
MS023.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (275)
275

>  <Formula> (275)
C17H25N3O

>  <MolWeight> (275)
287.3999

>  <Cat> (275)
S8112

>  <Name> (275)
MS023

>  <Synonyms> (275)
N/A

>  <Target> (275)
Histone Methyltransferase

>  <Form> (275)
Free Base

>  <CAS> (275)
1831110-54-3

>  <URL> (275)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (276)
276

>  <Formula> (276)
C30H28N6O6S4

>  <MolWeight> (276)
696.83992

>  <Cat> (276)
S8068

>  <Name> (276)
Chaetocin

>  <Synonyms> (276)
N/A

>  <Target> (276)
Histone Methyltransferase

>  <Form> (276)
Free Base

>  <CAS> (276)
28097-03-2

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

$$$$
AZ6102.cdx
csChFnd80/10212009122D

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   11.8539    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4912    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4912    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2787    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    7.9674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    6.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7036    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25  7  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 24  1  0  0  0  0
 22 29  2  0  0  0  0
 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
 19 32  1  1  0  0  0
M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C25H28N6O

>  <MolWeight> (277)
428.52942

>  <Cat> (277)
S7767

>  <Name> (277)
AZ6102

>  <Synonyms> (277)
AZ-6102

>  <Target> (277)
PPAR

>  <Form> (277)
Free Base

>  <CAS> (277)
1645286-75-4

>  <URL> (277)
http://www.selleckchem.com/products/az6102.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/10212009122D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9154    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C19H27N5O6S

>  <MolWeight> (278)
453.51258

>  <Cat> (278)
S8195

>  <Name> (278)
Oclacitinib maleate

>  <Synonyms> (278)
PF-03394197

>  <Target> (278)
JAK

>  <Form> (278)
Free Base

>  <CAS> (278)
1640292-55-2

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

$$$$
PF-CBP1.cdx
csChFnd80/10212009122D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.4282    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    3.0710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    5.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    6.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    8.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    9.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844   10.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9150   10.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    9.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7074    2.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5074    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    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
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  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  2  0  0  0  0
 21 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 21  1  0  0  0  0
 25 31  1  0  0  0  0
 22 32  1  0  0  0  0
 28 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
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C29H37ClN4O3

>  <MolWeight> (279)
525.08208

>  <Cat> (279)
S8180

>  <Name> (279)
PF-CBP1 HCL

>  <Synonyms> (279)
N/A

>  <Target> (279)
Epigenetic Reader Domain

>  <Form> (279)
Hydrochloride

>  <URL> (279)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10212009122D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 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  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C22H28N4O2

>  <MolWeight> (280)
380.48332

>  <Cat> (280)
S8111

>  <Name> (280)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (280)
EPZ015866, GSK3203591

>  <Target> (280)
Histone Methyltransferase

>  <Form> (280)
Free Base

>  <CAS> (280)
1616391-87-7

>  <URL> (280)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/10212009122D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1575    4.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    7.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    6.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    5.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (281)
281

>  <Formula> (281)
C23H25ClN2O

>  <MolWeight> (281)
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>  <Cat> (281)
S8209

>  <Name> (281)
HLCL-61 hydrochloride

>  <Synonyms> (281)
HLCL61

>  <Target> (281)
Histone Methyltransferase

>  <Form> (281)
Hydrochloride

>  <CAS> (281)
1158279-20-9

>  <URL> (281)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
I-BRD9 (GSK602).cdx
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282

>  <Formula> (282)
C22H22F3N3O3S2

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S7835

>  <Name> (282)
I-BRD9 (GSK602)

>  <Synonyms> (282)
GSK602

>  <Target> (282)
Epigenetic Reader Domain

>  <Form> (282)
Free Base

>  <CAS> (282)
1714146-59-4

>  <URL> (282)
http://www.selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (283)
283

>  <Formula> (283)
C19H36O5

>  <MolWeight> (283)
344.48614

>  <Cat> (283)
S7953

>  <Name> (283)
ETC-1002

>  <Synonyms> (283)
Bempedoic acid|ESP-55016

>  <Target> (283)
AMPK

>  <Form> (283)
Free Base

>  <CAS> (283)
738606-46-7

>  <URL> (283)
http://www.selleckchem.com/products/etc-1002.html

$$$$
AG-221 (Enasidenib).cdx
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>  <Mol_ID> (284)
284

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C19H17F6N7O

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AG-221 (Enasidenib)

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N/A

>  <Target> (284)
Dehydrogenase

>  <Form> (284)
Free Base

>  <CAS> (284)
1446502-11-9

>  <URL> (284)
http://www.selleckchem.com/products/ag-221-enasidenib.html

$$$$
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Epigenetic Reader Domain

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Free Base

>  <CAS> (285)
1883429-21-7

>  <URL> (285)
http://www.selleckchem.com/products/bi-7273.html

$$$$
A-366.cdx
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A-366

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N/A

>  <Target> (286)
Histone Methyltransferase

>  <Form> (286)
Free Base

>  <CAS> (286)
1527503-11-2

>  <URL> (286)
http://www.selleckchem.com/products/a-366.html

$$$$
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csChFnd80/10212009122D

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>  <Mol_ID> (287)
287

>  <Formula> (287)
C26H28N4O4S

>  <MolWeight> (287)
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>  <Cat> (287)
S7625

>  <Name> (287)
MK-4827(Niraparib) tosylate

>  <Synonyms> (287)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (287)
PARP

>  <Form> (287)
4-?methylbenzen

>  <CAS> (287)
1038915-73-9

>  <URL> (287)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
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288

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ITSA-1 (ITSA1)

>  <Synonyms> (288)
N/A

>  <Target> (288)
HDAC

>  <Form> (288)
Free Base

>  <CAS> (288)
200626-61-5

>  <URL> (288)
http://www.selleckchem.com/products/itsa-1-itsa1.html

$$$$
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JAK

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1271022-90-2

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294

>  <Formula> (294)
C22H22N6O

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CPI-637

>  <Synonyms> (294)
N/A

>  <Target> (294)
Epigenetic Reader Domain

>  <Form> (294)
Free Base

>  <CAS> (294)
1884712-47-3

>  <URL> (294)
http://www.selleckchem.com/products/cpi-637.html

$$$$
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csChFnd80/10212009122D

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>  <Mol_ID> (295)
295

>  <Formula> (295)
C29H32F3N5O3

>  <MolWeight> (295)
555.5912896

>  <Cat> (295)
S7833

>  <Name> (295)
OICR-9429

>  <Synonyms> (295)
N/A

>  <Target> (295)
Histone Methyltransferase

>  <Form> (295)
Free Base

>  <CAS> (295)
1801787-56-3

>  <URL> (295)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (296)
296

>  <Formula> (296)
C27H33F3N4O3

>  <MolWeight> (296)
518.5711296

>  <Cat> (296)
S8353

>  <Name> (296)
CPI-1205

>  <Synonyms> (296)
CPI 1205, CPI1205

>  <Target> (296)
Histone Methyltransferase

>  <Form> (296)
Free Base

>  <CAS> (296)
1621862-70-1

>  <URL> (296)
http://www.selleckchem.com/products/cpi-1205.html

$$$$

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>  <Mol_ID> (297)
297

>  <Formula> (297)
C20H25N3O2

>  <MolWeight> (297)
339.4314

>  <Cat> (297)
S1073

>  <Name> (297)
BML210/CAY10433

>  <Synonyms> (297)
N/A

>  <Target> (297)
HDAC

>  <Form> (297)
Free Base

>  <CAS> (297)
537034-17-6

>  <URL> (297)
http://www.selleck.cn/products/bml210-cay10433.html

$$$$
BGP-15.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C14H24Cl2N4O2

>  <MolWeight> (298)
351.27196

>  <Cat> (298)
S8370

>  <Name> (298)
BGP-15 2HCl

>  <Synonyms> (298)
N/A

>  <Target> (298)
PARP

>  <Form> (298)
dihydrochloride

>  <CAS> (298)
66611-37-8

>  <URL> (298)
http://www.selleckchem.com/products/bgp-15.html

$$$$
ML-7.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C15H18ClIN2O2S

>  <MolWeight> (299)
452.73809

>  <Cat> (299)
S8388

>  <Name> (299)
ML-7 HCl

>  <Synonyms> (299)
N/A

>  <Target> (299)
Others

>  <Form> (299)
hydrochloride

>  <CAS> (299)
110448-33-4

>  <URL> (299)
http://www.selleckchem.com/products/ml-7.html

$$$$
UNC3866.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (300)
300

>  <Formula> (300)
C43H66N6O8

>  <MolWeight> (300)
795.01954

>  <Cat> (300)
S8359

>  <Name> (300)
UNC3866

>  <Synonyms> (300)
Free Base

>  <Target> (300)
Histone Methyltransferase

>  <Form> (300)
Free Base

>  <CAS> (300)
1872382-47-2

>  <URL> (300)
http://www.selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (301)
301

>  <Formula> (301)
C15H26Cl2N2O

>  <MolWeight> (301)
321.28574

>  <Cat> (301)
S8147

>  <Name> (301)
MS049

>  <Synonyms> (301)
N/A

>  <Target> (301)
Histone Methyltransferase

>  <Form> (301)
dihydrochloride

>  <CAS> (301)
1502816-23-0(free base)

>  <URL> (301)
http://www.selleckchem.com/products/ms049.html

$$$$
STO-609.cdx
csChFnd80/10212009122D

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CaMK

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Free Base

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52029-86-4

>  <URL> (302)
http://www.selleckchem.com/products/sto-609.html

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SRT2183.cdx
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Sirtuin

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Free Base

>  <CAS> (303)
1001908-89-9

>  <URL> (303)
http://www.selleckchem.com/products/srt2183.html

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UNC0638.cdx
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UNC0638

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N/A

>  <Target> (304)
Histone Methyltransferase

>  <Form> (304)
Free Base

>  <CAS> (304)
1255580-76-7

>  <URL> (304)
http://www.selleckchem.com/products/unc0638.html

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305

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EPZ020411 2HCl

>  <Synonyms> (305)
N/A

>  <Target> (305)
Histone Methyltransferase

>  <Form> (305)
dihydrochloride

>  <CAS> (305)
1700663-41-7(free base)

>  <URL> (305)
http://www.selleckchem.com/products/epz020411.html

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C5H6BrN3O5

>  <MolWeight> (306)
268.02224

>  <Cat> (306)
S8405

>  <Name> (306)
RRx-001

>  <Synonyms> (306)
N/A

>  <Target> (306)
Dehydrogenase

>  <Form> (306)
Free Base

>  <CAS> (306)
925206-65-1

>  <URL> (306)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
csChFnd80/10212009122D

 41 42  0  0  0  0  0  0  0  0999 V2000
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 27 41  2  0  0  0  0
M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C34H51N3O3S

>  <MolWeight> (307)
581.85204

>  <Cat> (307)
S8245

>  <Name> (307)
Thiomyristoyl

>  <Synonyms> (307)
TM

>  <Target> (307)
Sirtuin

>  <Form> (307)
Free Base

>  <CAS> (307)
1429749-41-6

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

$$$$
Salermide.cdx
csChFnd80/10212009122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C26H22N2O2

>  <MolWeight> (308)
394.46508

>  <Cat> (308)
S8460

>  <Name> (308)
Salermide

>  <Synonyms> (308)
N/A

>  <Target> (308)
Sirtuin

>  <Form> (308)
Free Base

>  <CAS> (308)
1105698-15-4

>  <URL> (308)
http://www.selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/10212009122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C19H16N2O2

>  <MolWeight> (309)
304.34254

>  <Cat> (309)
S7958

>  <Name> (309)
Lificiguat(YC-1)

>  <Synonyms> (309)
N/A

>  <Target> (309)
HIF

>  <Form> (309)
Free Base

>  <CAS> (309)
170632-47-0

>  <URL> (309)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10212009122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (310)
310

>  <Formula> (310)
C15H18O2

>  <MolWeight> (310)
230.30222

>  <Cat> (310)
S8291

>  <Name> (310)
Atractylenolide I

>  <Synonyms> (310)
N/A

>  <Target> (310)
Immunology & Inflammation related

>  <Form> (310)
Free Base

>  <CAS> (310)
73069-13-3
73069-13-3

>  <URL> (310)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/10212009122D

 32 35  0  0  0  0  0  0  0  0999 V2000
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311

>  <Formula> (311)
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ABBV-075 (Mivebresib)

>  <Synonyms> (311)
N/A

>  <Target> (311)
Epigenetic Reader Domain

>  <Form> (311)
Free Base

>  <CAS> (311)
1445993-26-9

>  <URL> (311)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
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>  <Mol_ID> (312)
312

>  <Formula> (312)
C24H26ClN5O3

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S8464

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Citarinostat (ACY-241)

>  <Synonyms> (312)
HDAC-IN-2

>  <Target> (312)
HDAC

>  <Form> (312)
Free Base

>  <CAS> (312)
1316215-12-9

>  <URL> (312)
http://www.selleckchem.com/products/citarinostat-acy-241.html

$$$$

csChFnd80/10212009122D

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>  <Mol_ID> (313)
313

>  <Formula> (313)
C21H18F3N5O

>  <MolWeight> (313)
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>  <Cat> (313)
S2931

>  <Name> (313)
Aurora Kinase Inhibitor III

>  <Synonyms> (313)
N/A

>  <Target> (313)
Aurora Kinase

>  <Form> (313)
Free Base

>  <CAS> (313)
879127-16-9

>  <URL> (313)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
E7449.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (314)
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>  <MolWeight> (314)
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>  <Synonyms> (314)
N/A

>  <Target> (314)
PARP

>  <Form> (314)
Free Base

>  <CAS> (314)
1140964-99-3

>  <URL> (314)
http://www.selleckchem.com/products/e7449.html

$$$$
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1187990-87-9
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1262417-51-5

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1910124-24-1

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hydrochloride

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>  <Mol_ID> (319)
319

>  <Formula> (319)
C17H15N5O3S

>  <MolWeight> (319)
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>  <Cat> (319)
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EED226

>  <Synonyms> (319)
N/A

>  <Target> (319)
Epigenetic Reader Domain

>  <Form> (319)
Free Base

>  <CAS> (319)
2083627-02-3

>  <URL> (319)
http://www.selleckchem.com/products/eed226.html

$$$$
BIX01294 3HCl.cdx
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>  <Mol_ID> (320)
320

>  <Formula> (320)
C28H41Cl3N6O2

>  <MolWeight> (320)
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>  <Cat> (320)
S8006

>  <Name> (320)
BIX 01294

>  <Synonyms> (320)
N/A

>  <Target> (320)
Histone Methyltransferase

>  <Form> (320)
trihydrochloride

>  <CAS> (320)
1392399-03-9

>  <URL> (320)
http://www.selleckchem.com/products/bix-01294.html

$$$$
CFI-400945.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (321)
321

>  <Formula> (321)
C33H34N4O3

>  <MolWeight> (321)
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>  <Cat> (321)
S7552

>  <Name> (321)
CFI-400945

>  <Synonyms> (321)
N/A

>  <Target> (321)
PLK

>  <Form> (321)
Free Base

>  <CAS> (321)
1338806-73-7

>  <URL> (321)
http://www.selleckchem.com/products/cfi-400945.html

$$$$
Cl-amidine.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (322)
322

>  <Formula> (322)
C16H20ClF3N4O4

>  <MolWeight> (322)
424.8026096

>  <Cat> (322)
S8141

>  <Name> (322)
Cl-amidine

>  <Synonyms> (322)
N/A

>  <Target> (322)
Immunology & Inflammation related

>  <Form> (322)
trifluoroacetate

>  <CAS> (322)
1043444-18-3

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

$$$$
A-196.cdx
csChFnd80/10212009122D

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1982372-88-2

>  <URL> (323)
http://www.selleckchem.com/products/a-196.html

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>  <Synonyms> (324)
N/A

>  <Target> (324)
CARM1

>  <Form> (324)
free base

>  <CAS> (324)
1821908-48-8

>  <URL> (324)
http://www.selleckchem.com/products/sgc2085.html

$$$$
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>  <Formula> (325)
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>  <Cat> (325)
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>  <Synonyms> (325)
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>  <Target> (325)
HDAC9,HDAC7,HDAC4,HDAC5

>  <Form> (325)
free base

>  <CAS> (325)
1314891-22-9

>  <URL> (325)
http://www.selleckchem.com/products/tmp195.html

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>  <Formula> (326)
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>  <Target> (326)
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1174428-47-7

>  <URL> (326)
http://www.selleckchem.com/products/sf2523.html

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M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C17H22ClFN6O

>  <MolWeight> (327)
380.8475832

>  <Cat> (327)
S8442

>  <Name> (327)
TAK-659

>  <Synonyms> (327)
N/A

>  <Target> (327)
Syk,FLT3,ZAP-70,JAK3,VEGFR2

>  <Form> (327)
hydrochloride 

>  <CAS> (327)
1952251-28-3

>  <URL> (327)
http://www.selleckchem.com/products/tak-659.html

$$$$
LW 6.cdx
csChFnd80/10212009122D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C26H29NO5

>  <MolWeight> (328)
435.51216

>  <Cat> (328)
S8441

>  <Name> (328)
LW 6

>  <Synonyms> (328)
N/A

>  <Target> (328)
HIF-1¦Á

>  <Form> (328)
free base

>  <CAS> (328)
934593-90-5

>  <URL> (328)
http://www.selleckchem.com/products/lw-6.html

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/10212009122D

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>  <Mol_ID> (329)
329

>  <Formula> (329)
C22H19FN4O2

>  <MolWeight> (329)
390.4102632

>  <Cat> (329)
S8567

>  <Name> (329)
Tucidinostat (Chidamide)

>  <Synonyms> (329)
HBI-8000, CS-055

>  <Target> (329)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (329)
free base

>  <CAS> (329)
743420-02-2

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

$$$$
3-TYP.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (330)
330

>  <Formula> (330)
C7H6N4

>  <MolWeight> (330)
146.14934

>  <Cat> (330)
S8628

>  <Name> (330)
3-TYP

>  <Synonyms> (330)
3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (330)
SIRT3,SIRT1,SIRT2

>  <Form> (330)
free base

>  <CAS> (330)
120241-79-4

>  <URL> (330)
http://www.selleckchem.com/products/3-typ.html

$$$$
PF-06726304.cdx
csChFnd80/10212009122D

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>  <Mol_ID> (331)
331

>  <Formula> (331)
C22H21Cl2N3O3

>  <MolWeight> (331)
446.32644

>  <Cat> (331)
S8494

>  <Name> (331)
PF-06726304

>  <Synonyms> (331)
PF-6726304

>  <Target> (331)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (331)
free base

>  <CAS> (331)
1616287-82-1

>  <URL> (331)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
ACSS2 inhibitor.cdx
csChFnd80/10212009122D

 28 31  0  0  0  0  0  0  0  0999 V2000
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508186-14-9

>  <URL> (332)
http://www.selleckchem.com/products/acss2-inhibitor.html

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N/A

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free base

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1467057-23-3

>  <URL> (333)
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ACY-738

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N/A

>  <Target> (334)
HDAC6

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free base

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1375465-91-0

>  <URL> (334)
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PRMT5

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1616392-22-3

>  <URL> (335)
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887686-02-4

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1481677-78-4

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 27 22  1  0  0  0  0
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M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C18H15ClN6OS2

>  <MolWeight> (341)
430.9343

>  <Cat> (341)
S8699

>  <Name> (341)
SNS-314 Mesylate

>  <Synonyms> (341)
N/A

>  <Target> (341)
Aurora Kinase

>  <CAS> (341)
1057249-41-8

>  <URL> (341)
http://selleckchem.com/products/sns-314.html

$$$$
S5269 J147.cdx
csChFnd80/10212009122D

 25 26  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
>  <Mol_ID> (342)
342

>  <Formula> (342)
C18H17F3N2O2

>  <MolWeight> (342)
350.3349896

>  <Cat> (342)
S5269

>  <Name> (342)
J147

>  <Synonyms> (342)
N/A

>  <Target> (342)
Others

>  <Form> (342)
free base

>  <CAS> (342)
1146963-51-0

>  <URL> (342)
http://selleckchem.com/products/j147.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10212009122D

 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
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    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
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    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (343)
343

>  <Formula> (343)
C10H16N5O8P

>  <MolWeight> (343)
365.236501

>  <Cat> (343)
S5284

>  <Name> (343)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (343)
5'-Adenylic acid, 5'-AMP

>  <Target> (343)
AMPK

>  <Form> (343)
hydrate 

>  <CAS> (343)
18422-05-4

>  <URL> (343)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5262 UNC-926.cdx
csChFnd80/10212009122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    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
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 14  9  1  0  0  0  0
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 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> (344)
344

>  <Formula> (344)
C16H21BrN2O

>  <MolWeight> (344)
337.25474

>  <Cat> (344)
S5262

>  <Name> (344)
UNC-926

>  <Synonyms> (344)
N/A

>  <Target> (344)
Others

>  <Form> (344)
free base

>  <CAS> (344)
1184136-10-4

>  <URL> (344)
http://selleckchem.com/products/unc-926.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10212009122D

 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
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    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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  6 10  2  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C12H9ClO2S

>  <MolWeight> (345)
252.71666

>  <Cat> (345)
S5438

>  <Name> (345)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (345)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (345)
HDAC

>  <Form> (345)
free base

>  <CAS> (345)
1623-93-4

>  <URL> (345)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/10212009122D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C21H16N2O9S2

>  <MolWeight> (346)
504.48974

>  <Cat> (346)
S5445

>  <Name> (346)
AMI-1, free acid

>  <Synonyms> (346)
N/A

>  <Target> (346)
Histone Methyltransferase

>  <Form> (346)
free base

>  <CAS> (346)
134-47-4

>  <URL> (346)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/10212009122D

 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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    2.4249    6.3000    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
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    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 25 27  1  0  0  0  0
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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C22H26O11

>  <MolWeight> (347)
466.43524

>  <Cat> (347)
S5457

>  <Name> (347)
Curculigoside

>  <Synonyms> (347)
Curculigoside A

>  <Target> (347)
Immunology & Inflammation related

>  <Form> (347)
free base

>  <CAS> (347)
85643-19-2

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

$$$$
S5458 Verbascoside.cdx
csChFnd80/10212009122D

 44 47  0  0  0  0  0  0  0  0999 V2000
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    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 35 36  1  0  0  0  0
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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C29H36O15

>  <MolWeight> (348)
624.58714

>  <Cat> (348)
S5458

>  <Name> (348)
Verbascoside

>  <Synonyms> (348)
Acteoside, Kusaginin

>  <Target> (348)
Immunology & Inflammation related

>  <Form> (348)
free base

>  <CAS> (348)
61276-17-3

>  <URL> (348)
http://selleckchem.com/products/verbascoside.html

$$$$
S5588 Creatine.cdx
csChFnd80/10212009122D

  9  8  0  0  0  0  0  0  0  0999 V2000
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  5  8  1  0  0  0  0
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M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C4H9N3O2

>  <MolWeight> (349)
131.13316

>  <Cat> (349)
S5588

>  <Name> (349)
Creatine

>  <Synonyms> (349)
Methylguanidoacetic acid

>  <Target> (349)
Others

>  <Form> (349)
free base

>  <CAS> (349)
57-00-1

>  <URL> (349)
http://selleckchem.com/products/creatine.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10212009122D

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  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C20H18O6

>  <MolWeight> (350)
354.35332

>  <Cat> (350)
S3934

>  <Name> (350)
Acetyl Resveratrol

>  <Synonyms> (350)
N/A

>  <Target> (350)
Sirt12

>  <Form> (350)
free base

>  <CAS> (350)
42206-94-0

>  <URL> (350)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10212009122D

 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
    3.6554    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C8H6N2O

>  <MolWeight> (351)
146.14604

>  <Cat> (351)
S9360

>  <Name> (351)
4-Hydroxyquinazoline

>  <Form> (351)
free base

>  <CAS> (351)
491-36-1

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/10212009122D

 53 56  0  0  0  0  0  0  0  0999 V2000
   15.7623    6.2995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0516    7.6713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5491    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5491    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3671    6.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7623    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3359    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8385    8.3713    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1226    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1226    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7978    7.4334    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4261    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7384   13.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3302    8.2406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5937   11.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6045   14.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4748    9.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7533   10.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9027   11.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1812   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3151   11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3260   13.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    4.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3456   10.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    6.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1528    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7623    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6937    9.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0169   13.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7539   15.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7230   11.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4307    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    4.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9967    9.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0324   16.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0015   11.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  6  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 16  2  0  0  0  0
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 17 30  2  0  0  0  0
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 19 31  1  0  0  0  0
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 27 25  1  0  0  0  0
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 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 26  2  0  0  0  0
 11 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 20  2  0  0  0  0
 35 21  2  0  0  0  0
  1 36  1  6  0  0  0
  4 37  1  6  0  0  0
  7 38  1  1  0  0  0
  9 39  1  1  0  0  0
 10 40  1  6  0  0  0
 41 13  1  0  0  0  0
 42 14  1  0  0  0  0
 43 16  1  0  0  0  0
 44 19  1  0  0  0  0
 45 17  1  0  0  0  0
 46 18  1  0  0  0  0
 12 47  1  6  0  0  0
 48 36  1  0  0  0  0
 49 47  1  0  0  0  0
 50 44  1  0  0  0  0
 51 46  1  0  0  0  0
 52 45  1  0  0  0  0
 53 43  1  0  0  0  0
  9 12  1  0  0  0  0
  7 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C34H42O19

>  <MolWeight> (352)
754.68588

>  <Cat> (352)
S9401

>  <Name> (352)
 3,6'-Disinapoyl sucrose

>  <Form> (352)
free base

>  <CAS> (352)
139891-98-8

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/10212009122D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2697    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8121    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0490    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6669    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4266    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1913    2.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8364    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
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 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
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 20 24  1  0  0  0  0
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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C22H24NO4+

>  <MolWeight> (353)
366.43026

>  <Cat> (353)
S9431

>  <Name> (353)
Dehydrocorydalin

>  <Form> (353)
free base

>  <CAS> (353)
30045-16-0

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/10212009122D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4156    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8007    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  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
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  4 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C22H34O3

>  <MolWeight> (354)
346.50356

>  <Cat> (354)
S9432

>  <Name> (354)
Ginkgolic Acid

>  <Form> (354)
free base

>  <CAS> (354)
22910-60-7

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/10212009122D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C20H32O3

>  <MolWeight> (355)
320.46628

>  <Cat> (355)
S9445

>  <Name> (355)
Ginkgolic Acid (C130)

>  <Form> (355)
free base

>  <CAS> (355)
20261-38-5

$$$$

csChFnd80/10212009122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6228    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    3.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3950    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    3.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    1.4027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    4.1781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    4.1949    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    5.5854    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C6H6Br6

>  <MolWeight> (356)
557.53584

>  <Cat> (356)
S5902

>  <Name> (356)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (356)
NSC7908

>  <Target> (356)
JAK

>  <Form> (356)
Free Base

>  <CAS> (356)
1837-91-8

>  <URL> (356)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C16H15N3O3

>  <MolWeight> (357)
297.3086

>  <Cat> (357)
S5903

>  <Name> (357)
JANEX-1

>  <Synonyms> (357)
WHI-P131

>  <Target> (357)
JAK

>  <Form> (357)
Free Base

>  <CAS> (357)
202475-60-3

>  <URL> (357)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    0.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2262    2.8503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    8.3968    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C16H13Br2N3O3

>  <MolWeight> (358)
455.10072

>  <Cat> (358)
S5904

>  <Name> (358)
WHI-P97

>  <Synonyms> (358)
N/A

>  <Target> (358)
JAK

>  <Form> (358)
Free Base

>  <CAS> (358)
211555-05-4

>  <URL> (358)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/10212009122D

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9527    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7082    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674    1.3332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527    3.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4984    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3855    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.1086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C8H16N2O4

>  <MolWeight> (359)
204.22364

>  <Cat> (359)
S5905

>  <Name> (359)
Suberohydroxamic acid

>  <Synonyms> (359)
suberic bishydroxamic acid

>  <Target> (359)
HDAC

>  <Form> (359)
Free Base

>  <CAS> (359)
38937-66-5

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

$$$$

csChFnd80/10212009122D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2211    4.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    5.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    6.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115    6.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247    1.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  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
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C7H5NO4

>  <MolWeight> (360)
167.1189

>  <Cat> (360)
S5906

>  <Name> (360)
2,4-Pyridinedicarboxylic acid

>  <Synonyms> (360)
Lutidinic Acid; 2,4-Dicarboxypyridine; 2,4-PDCA

>  <Target> (360)
Others

>  <Form> (360)
Free Base

>  <CAS> (360)
499-80-9

>  <URL> (360)
http://www.selleckchem.com/products/pyridinedicarboxylic-acid.html

$$$$

csChFnd80/10212009122D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1775    2.9624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3899    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6618    1.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6024    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C10H15N3O4

>  <MolWeight> (361)
241.2438

>  <Cat> (361)
S5907

>  <Name> (361)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (361)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (361)
Others

>  <Form> (361)
Free Base

>  <CAS> (361)
838-07-3

>  <URL> (361)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$

csChFnd80/10212009122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  6  2  1  0  0  0  0
 13  2  1  0  0  0  0
  4  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 10  5  2  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11  8  2  0  0  0  0
 14  9  1  0  0  0  0
 18  9  2  0  0  0  0
 15 11  1  0  0  0  0
 17 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 22 18  1  0  0  0  0
 24 19  1  0  0  0  0
 23 20  2  0  0  0  0
 25 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C21H16N2O2S

>  <MolWeight> (362)
360.42894

>  <Cat> (362)
S5913

>  <Name> (362)
Cambinol

>  <Synonyms> (362)
N/A

>  <Target> (362)
TNF-alpha

>  <Form> (362)
Free Base

>  <CAS> (362)
14513-15-6

>  <URL> (362)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/10212009122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 17 20  1  0  0  0  0
  4 17  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C19H21BrN2O3S

>  <MolWeight> (363)
437.35064

>  <Cat> (363)
S5914

>  <Name> (363)
AK 7

>  <Synonyms> (363)
N/A

>  <Target> (363)
Sirtuin

>  <Form> (363)
Free Base

>  <CAS> (363)
420831-40-9

>  <URL> (363)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/10212009122D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 19 21  1  0  0  0  0
 12 27  2  0  0  0  0
 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C22H26N4O3

>  <MolWeight> (364)
394.46684

>  <Cat> (364)
S5916

>  <Name> (364)
GSK 5959

>  <Synonyms> (364)
N/A

>  <Target> (364)
Epigenetic Reader Do

>  <Form> (364)
Free Base

>  <CAS> (364)
901245-65-6

>  <URL> (364)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/10212009122D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
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 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C22H23N5O2

>  <MolWeight> (365)
389.45032

>  <Cat> (365)
S5917

>  <Name> (365)
Solcitinib

>  <Synonyms> (365)
GLPG0778, GSK2586184

>  <Target> (365)
JAK

>  <Form> (365)
Free Base

>  <CAS> (365)
1206163-45-2

>  <URL> (365)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/10212009122D

 30 34  0  0  0  0  0  0  0  0999 V2000
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    3.6520    7.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  2  0  0  0  0
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 13 15  1  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C22H15FN4O2S

>  <MolWeight> (366)
418.4435032

>  <Cat> (366)
S5918

>  <Name> (366)
CAY10602

>  <Synonyms> (366)
N/A

>  <Target> (366)
Sirtuin

>  <Form> (366)
Free Base

>  <CAS> (366)
374922-43-7

>  <URL> (366)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/10212009122D

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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C17H13ClNO5P

>  <MolWeight> (367)
377.715581

>  <Cat> (367)
S8409

>  <Name> (367)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (367)
N/A

>  <Target> (367)
Epigenetic Reader Do

>  <Form> (367)
Free Base

>  <CAS> (367)
18228-17-6

>  <URL> (367)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/10212009122D

 22 26  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0  0  0  0
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M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C16H15FN4O

>  <MolWeight> (368)
298.3149032

>  <Cat> (368)
S8592

>  <Name> (368)
Pamiparib (BGB-290)

>  <Synonyms> (368)
N/A

>  <Target> (368)
PARP

>  <Form> (368)
Free Base

>  <CAS> (368)
1446261-44-4

>  <URL> (368)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/10212009122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C24H18ClN3O3

>  <MolWeight> (369)
431.87102

>  <Cat> (369)
S8654

>  <Name> (369)
ex229 (compound 991)

>  <Synonyms> (369)
N/A

>  <Target> (369)
AMPK

>  <Form> (369)
Free Base

>  <CAS> (369)
1219739-36-2

>  <URL> (369)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10212009122D

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370

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Free Base

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2098546-05-3

>  <URL> (370)
http://www.selleckchem.com/products/ebi-2511.html

$$$$

csChFnd80/10212009122D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C20H21N3O5S

>  <MolWeight> (371)
415.46284

>  <Cat> (371)
S8714

>  <Name> (371)
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>  <Synonyms> (371)
N/A

>  <Target> (371)
Epigenetic Reader Do

>  <Form> (371)
Free Base

>  <CAS> (371)
1820889-23-3

>  <URL> (371)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/10212009122D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C28H30FN3O4

>  <MolWeight> (372)
491.5539032

>  <Cat> (372)
S8723

>  <Name> (372)
ABBV-744

>  <Synonyms> (372)
N/A

>  <Target> (372)
Epigenetic Reader Do

>  <Form> (372)
Free Base

>  <CAS> (372)
2138861-99-9

>  <URL> (372)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C18H18FN5O2S

>  <MolWeight> (373)
387.4312232

>  <Cat> (373)
S8727

>  <Name> (373)
Atuveciclib (BAY-1143572)

>  <Synonyms> (373)
N/A

>  <Target> (373)
CDK

>  <Form> (373)
Free Base

>  <CAS> (373)
1414943-88-6

>  <URL> (373)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/10212009122D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C26H26FN7O2

>  <MolWeight> (374)
487.5287432

>  <Cat> (374)
S8741

>  <Name> (374)
Avitinib (AC0010)

>  <Synonyms> (374)
N/A

>  <Target> (374)
EGFR

>  <Form> (374)
Free Base

>  <CAS> (374)
1557267-42-1

>  <URL> (374)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C22H18N4

>  <MolWeight> (375)
338.40512

>  <Cat> (375)
S8749

>  <Name> (375)
MBQ-167

>  <Synonyms> (375)
N/A

>  <Target> (375)
Rho

>  <Form> (375)
Free Base

>  <CAS> (375)
2097938-73-1

>  <URL> (375)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C16H16N4O2

>  <MolWeight> (376)
296.32384

>  <Cat> (376)
S8763

>  <Name> (376)
ZL0420

>  <Synonyms> (376)
N/A

>  <Target> (376)
Epigenetic Reader Do

>  <Form> (376)
Free Base

>  <CAS> (376)
2229039-45-4

>  <URL> (376)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C23H32N2O2

>  <MolWeight> (377)
368.51238

>  <Cat> (377)
S8771

>  <Name> (377)
IDF-11774

>  <Synonyms> (377)
N/A

>  <Target> (377)
HIF

>  <Form> (377)
Free Base

>  <CAS> (377)
1429054-28-3

>  <URL> (377)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10212009122D

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 33 34  1  0  0  0  0
 33 44  1  0  0  0  0
 22 35  1  1  0  0  0
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 39 40  1  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (378)
378

>  <Formula> (378)
C38H46O8

>  <MolWeight> (378)
630.76704

>  <Cat> (378)
S9031

>  <Name> (378)
Gambogenic acid

>  <Form> (378)
free base

>  <CAS> (378)
173932-75-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10212009122D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C21H20O6

>  <MolWeight> (379)
368.3799

>  <Cat> (379)
S9080

>  <Name> (379)
Anhydroicaritin

>  <Form> (379)
free base

>  <CAS> (379)
118525-40-9

$$$$
S9100 Fraxinellone.cdx
csChFnd80/10212009122D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4309    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7621    3.9416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4309    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    4.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7621    1.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    1.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    5.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  6  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C14H16O3

>  <MolWeight> (380)
232.27504

>  <Cat> (380)
S9100

>  <Name> (380)
Fraxinellone

>  <Form> (380)
free base

>  <CAS> (380)
28808-62-0

$$$$

csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5543    2.7637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    1.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.6212    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  1  1  0  0  0  0
 12 14  1  0  0  0  0
 14  6  1  0  0  0  0
 12 15  1  1  0  0  0
 14 15  1  1  0  0  0
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 10 17  1  1  0  0  0
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 13 20  1  6  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
  7 23  2  0  0  0  0
  9 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C20H28O5

>  <MolWeight> (381)
348.43332

>  <Cat> (381)
S9101

>  <Name> (381)
Ingenol

>  <Form> (381)
free base

>  <CAS> (381)
30220-46-3

$$$$
S9162 Rubimaillin.cdx
csChFnd80/10212009122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.7915    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969    4.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978    6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0112    3.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2044    5.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925    7.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772    5.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2108    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
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 11 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C17H16O4

>  <MolWeight> (382)
284.30654

>  <Cat> (382)
S9162

>  <Name> (382)
Rubimaillin

>  <CAS> (382)
55481-88-4

$$$$
S9189 Oroxin A.cdx
csChFnd80/10212009122D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C21H20O10

>  <MolWeight> (383)
432.3775

>  <Cat> (383)
S9189

>  <Name> (383)
Oroxin A

>  <Form> (383)
free base

>  <CAS> (383)
57396-78-8

$$$$
S9192 Vitexin.cdx
csChFnd80/10212009122D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.7594    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    7.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    5.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    4.2008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3500    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9566    8.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572    8.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1454    6.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    3.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864    3.4885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3500    7.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    7.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9566    9.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572    9.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    2.0738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7864    2.0890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0251    4.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5650    6.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869    1.3632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1788    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235    1.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880    5.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5660    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9972    3.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 12  2  0  0  0  0
  9 17  1  0  0  0  0
  9 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  6  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  1  0  0  0
 19 25  1  1  0  0  0
 19 23  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  6  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C21H20O10

>  <MolWeight> (384)
432.3775

>  <Cat> (384)
S9192

>  <Name> (384)
Vitexin

>  <Form> (384)
free base

>  <CAS> (384)
3681-93-4

$$$$
S9204 Oroxylin A.cdx
csChFnd80/10212009122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8591    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2497    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2497    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    5.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    5.5898    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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C16H12O5

>  <MolWeight> (385)
284.26348

>  <Cat> (385)
S9204

>  <Name> (385)
Oroxylin A

>  <Form> (385)
free base

>  <CAS> (385)
480-11-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/10212009122D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C10H13N5O5

>  <MolWeight> (386)
283.24072

>  <Cat> (386)
S9275

>  <Name> (386)
Isoguanosine

>  <Form> (386)
free base

>  <CAS> (386)
1818-71-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10212009122D

 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
    3.6373    1.4000    0.0000 O   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
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248   11.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0001    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3869    3.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8218    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    6.0266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9566    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    2.8004    0.0000 H   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
  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
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C17H26O11

>  <MolWeight> (387)
406.38174

>  <Cat> (387)
S9307

>  <Name> (387)
Shanzhiside methyl ester

>  <Form> (387)
free base

>  <CAS> (387)
64421-28-9

$$$$
S9024 AKBA.cdx
csChFnd80/10212009122D

 40 44  0  0  0  0  0  0  0  0999 V2000
    7.2032    5.0691    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4151    4.3630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9859    4.3630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2032    6.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322    5.0531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4151    2.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151    5.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9859    2.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7740    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017    5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151    7.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0333    7.1504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6322    6.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8494    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6164    3.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7740    2.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5568    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8494    7.1821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0613    5.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    2.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4261    0.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1640    0.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    6.4813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8494    8.5943    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3869    2.2815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3852    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    0.6270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2785    7.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613    9.3002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6797    9.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1855    2.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2785    8.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0613   10.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    4.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0017    1.6966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (388)
388

>  <Formula> (388)
C32H48O5

>  <MolWeight> (388)
512.72052

>  <Cat> (388)
S9024

>  <Name> (388)
AKBA

>  <CAS> (388)
67416-61-9

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C9H8O2

>  <MolWeight> (389)
148.15862

>  <Cat> (389)
S9379

>  <Name> (389)
Dihydrocoumarin

>  <Form> (389)
free base

>  <CAS> (389)
119-84-6

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C20H21N3O2

>  <MolWeight> (390)
335.39964

>  <Cat> (390)
S8049

>  <Name> (390)
Tubastatin A

>  <Target> (390)
others

>  <CAS> (390)
1252003-15-8

>  <URL> (390)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/10212009122D

 44 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C26H52N6O11S

>  <MolWeight> (391)
656.78968

>  <Cat> (391)
S5742

>  <Name> (391)
Deferoxamine mesylate

>  <Synonyms> (391)
desferrioxamine B

>  <Target> (391)
Others

>  <Form> (391)
mesylate

>  <CAS> (391)
138-14-7

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

$$$$

csChFnd80/10212009122D

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>  <Mol_ID> (392)
392

>  <Formula> (392)
C6H11NOS2

>  <MolWeight> (392)
177.28764

>  <Cat> (392)
S5771

>  <Name> (392)
sulforaphane

>  <Synonyms> (392)
N/A

>  <Target> (392)
Nrf2

>  <Form> (392)
Free Base

>  <CAS> (392)
4478-93-7

>  <URL> (392)
http://www.selleckchem.com/products/sulforaphane.html

$$$$

csChFnd80/10212009122D

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>  <Mol_ID> (393)
393

>  <Formula> (393)
C17H13N3O2

>  <MolWeight> (393)
291.30402

>  <Cat> (393)
S5772

>  <Name> (393)
AS-8351

>  <Synonyms> (393)
N/A

>  <Target> (393)
Histone Demethylase

>  <Form> (393)
Free Base

>  <CAS> (393)
796-42-9

>  <URL> (393)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/10212009122D

 10  9  0  0  0  0  0  0  0  0999 V2000
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  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
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  2  8  1  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C5H10N2O2S

>  <MolWeight> (394)
162.2101

>  <Cat> (394)
S5804

>  <Name> (394)
N-Acetylcysteine amide

>  <Synonyms> (394)
N/A

>  <Target> (394)
Immunology & Inflamm

>  <Form> (394)
Free Base

>  <CAS> (394)
38520-57-9

>  <URL> (394)
http://www.selleckchem.com/products/n-acetylcysteine-amide.html

$$$$

csChFnd80/10212009122D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C11H15BrN2O

>  <MolWeight> (395)
271.1536

>  <Cat> (395)
S5810

>  <Name> (395)
UF010

>  <Synonyms> (395)
N/A

>  <Target> (395)
HDAC

>  <Form> (395)
Free Base

>  <CAS> (395)
537672-41-6 

>  <URL> (395)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/10212009122D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   12.1244    2.1000    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
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  5  7  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> (396)
396

>  <Formula> (396)
C15H16N2O2

>  <MolWeight> (396)
256.29974

>  <Cat> (396)
S8773

>  <Name> (396)
TH34

>  <Synonyms> (396)
N/A

>  <Target> (396)
HDAC

>  <Form> (396)
Free Base

>  <CAS> (396)
2196203-96-8

>  <URL> (396)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/10212009122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C18H13F2N3O3S

>  <MolWeight> (397)
389.3759264

>  <Cat> (397)
S8776

>  <Name> (397)
WM-1119

>  <Synonyms> (397)
N/A

>  <Target> (397)
Histone Acetyltransf

>  <Form> (397)
Free Base

>  <CAS> (397)
2055397-28-7

>  <URL> (397)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/10212009122D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C27H19ClN2O3

>  <MolWeight> (398)
454.90436

>  <Cat> (398)
S8803

>  <Name> (398)
MK-3903

>  <Synonyms> (398)
N/A

>  <Target> (398)
AMPK

>  <Form> (398)
Free Base

>  <CAS> (398)
1219737-12-8

>  <URL> (398)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/10212009122D

 12 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (399)
399

>  <Formula> (399)
C10H10O2

>  <MolWeight> (399)
162.1852

>  <Cat> (399)
S6221

>  <Name> (399)
Methyl cinnamate

>  <Synonyms> (399)
N/A

>  <Target> (399)
Others

>  <Form> (399)
free base

>  <CAS> (399)
103-26-4

>  <URL> (399)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/10212009122D

 55 61  0  0  0  0  0  0  0  0999 V2000
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http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/10212009122D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C5H7N3O

>  <MolWeight> (403)
125.12858

>  <Cat> (403)
S6021

>  <Name> (403)
5-Methylcytosine

>  <Synonyms> (403)
N/A

>  <Target> (403)
Others

>  <Form> (403)
free base

>  <CAS> (403)
554-01-8

>  <URL> (403)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/10212009122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 24 25  1  0  0  0  0
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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C21H19ClNO4+

>  <MolWeight> (404)
384.83286

>  <Cat> (404)
S1292

>  <Name> (404)
Chelerythrine Chloride

>  <Synonyms> (404)
N/A

>  <Target> (404)
PKC

>  <Form> (404)
Chloride

>  <CAS> (404)
3895-92-9

>  <URL> (404)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/10212009122D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
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 17 16  1  0  0  0  0
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 19 21  1  0  0  0  0
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 25 19  1  0  0  0  0
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C18H20FN3O4

>  <MolWeight> (405)
361.3675032

>  <Cat> (405)
S1463

>  <Name> (405)
Ofloxacin

>  <Synonyms> (405)
DL8280

>  <Target> (405)
Topoisomerase

>  <Form> (405)
Free Base

>  <CAS> (405)
82419-36-1

>  <URL> (405)
http://www.selleck.cn/products/Ofloxacin(Floxin).html

$$$$

csChFnd80/10212009122D

 28 32  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C18H21F2N7O

>  <MolWeight> (406)
389.4024464

>  <Cat> (406)
S8804

>  <Name> (406)
PF-06700841

>  <Synonyms> (406)
PF-841

>  <Target> (406)
JAK

>  <Form> (406)
Free Base

>  <CAS> (406)
1883299-62-4

>  <URL> (406)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C33H31Cl2N3O5

>  <MolWeight> (407)
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>  <Name> (407)
compound 3i (666-15)

>  <Synonyms> (407)
N/A

>  <Target> (407)
Epigenetic Reader Do

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1433286-70-4

>  <URL> (407)
http://www.selleck.cn/products/compound-3i.html

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M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C23H21N5O3

>  <MolWeight> (408)
415.44454

>  <Cat> (408)
S2780

>  <Name> (408)
I-BET151 (GSK1210151A)

>  <Synonyms> (408)
N/A

>  <Target> (408)
Epigenetic Reader Do

>  <Form> (408)
Free Base

>  <CAS> (408)
1300031-49-5

>  <URL> (408)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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csChFnd80/10212009122D

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M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C6H13NO5

>  <MolWeight> (409)
179.17112

>  <Cat> (409)
S6400

>  <Name> (409)
Glucosamine

>  <Synonyms> (409)
2-amino-2-deoxy-D-glucose

>  <Target> (409)
Others

>  <Form> (409)
Free Base

>  <CAS> (409)
3416-24-8

>  <URL> (409)
http://www.selleck.cn/products/glucosamine.html

$$$$

csChFnd80/10212009122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (410)
410

>  <Formula> (410)
C23H19NO3

>  <MolWeight> (410)
357.40186

>  <Cat> (410)
S6424

>  <Name> (410)
TAS-301

>  <Synonyms> (410)
N/A

>  <Target> (410)
Others

>  <Form> (410)
Free Base

>  <CAS> (410)
193620-69-8

>  <URL> (410)
http://www.selleck.cn/products/tas-301.html

$$$$

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M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C17H18F2N2O

>  <MolWeight> (411)
304.3344264

>  <Cat> (411)
S2132

>  <Name> (411)
SR4370

>  <Synonyms> (411)
N/A

>  <Target> (411)
HDAC

>  <Form> (411)
Free Base

>  <CAS> (411)
1816294-67-3

>  <URL> (411)
http://www.selleck.cn/products/sr4370.html

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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C31H39N7O2

>  <MolWeight> (412)
541.68706

>  <Cat> (412)
S7164

>  <Name> (412)
GSK343

>  <Synonyms> (412)
N/A

>  <Target> (412)
Histone Methyltransf

>  <Form> (412)
Free Base

>  <CAS> (412)
1346704-33-3

>  <URL> (412)
http://www.selleck.cn/products/gsk343.html

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M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C19H18N4O3

>  <MolWeight> (413)
350.37122

>  <Cat> (413)
S8684

>  <Name> (413)
Selective JAK3 inhibitor 1

>  <Synonyms> (413)
N/A

>  <Target> (413)
JAK

>  <Form> (413)
Free Base

>  <CAS> (413)
1443235-95-7

>  <URL> (413)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/10212009122D

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>  <Mol_ID> (414)
414

>  <Formula> (414)
C26H22N4O3

>  <MolWeight> (414)
438.47788

>  <Cat> (414)
S8739

>  <Name> (414)
PLX51107

>  <Synonyms> (414)
N/A

>  <Target> (414)
Epigenetic Reader Do

>  <Form> (414)
Free Base

>  <CAS> (414)
1627929-55-8

>  <URL> (414)
http://www.selleck.cn/products/plx51107.html

$$$$

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M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C19H16N4O3

>  <MolWeight> (415)
348.35534

>  <Cat> (415)
S8753

>  <Name> (415)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (415)
N/A

>  <Target> (415)
Epigenetic Reader Do

>  <Form> (415)
Free Base

>  <CAS> (415)
1628607-64-6

>  <URL> (415)
http://www.selleck.cn/products/incb054329.html

$$$$

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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C19H28Cl2N4O2

>  <MolWeight> (416)
415.35722

>  <Cat> (416)
S8769

>  <Name> (416)
Tinostamustine(EDO-S101)

>  <Synonyms> (416)
N/A

>  <Target> (416)
HDAC

>  <Form> (416)
Free Base

>  <CAS> (416)
1236199-60-2

>  <URL> (416)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    5.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    4.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8462    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0544    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C14H14ClFN8

>  <MolWeight> (417)
348.7659632

>  <Cat> (417)
S2162

>  <Name> (417)
AZD1480

>  <Synonyms> (417)
N/A

>  <Target> (417)
JAK

>  <Form> (417)
free base

>  <CAS> (417)
935666-88-9

>  <URL> (417)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/10212009122D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.9031    2.9884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8511    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    0.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2678    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    3.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6887    2.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8400    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8863    1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C13H13NO3S

>  <MolWeight> (418)
263.31222

>  <Cat> (418)
S6497

>  <Name> (418)
SMI-16a

>  <Synonyms> (418)
N/A

>  <Target> (418)
Pim

>  <Form> (418)
free base

>  <CAS> (418)
587852-28-6

>  <URL> (418)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/10212009122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    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  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C16H15N3O2

>  <MolWeight> (419)
281.3092

>  <Cat> (419)
S6521

>  <Name> (419)
WHI-P258

>  <Synonyms> (419)
N/A

>  <Target> (419)
JAK

>  <Form> (419)
free base

>  <CAS> (419)
21561-09-1

>  <URL> (419)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/10212009122D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6552    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    8.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5050    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9299    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    3.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5677    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
  2  6  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
 14 19  2  0  0  0  0
  4 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C23H24N2O

>  <MolWeight> (420)
344.44946

>  <Cat> (420)
S6524

>  <Name> (420)
NSC 42834

>  <Synonyms> (420)
JAK2 Inhibitor V

>  <Target> (420)
JAK

>  <Form> (420)
free base

>  <CAS> (420)
195371-52-9

>  <URL> (420)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/10212009122D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 22  1  0  0  0  0
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 14 17  1  0  0  0  0
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 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C20H25F3N6O3

>  <MolWeight> (421)
454.4461096

>  <Cat> (421)
S6577

>  <Name> (421)
PKC-theta inhibitor

>  <Synonyms> (421)
N/A

>  <Target> (421)
PKC

>  <Form> (421)
free base

>  <CAS> (421)
736048-65-0

>  <URL> (421)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10212009122D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C18H23ClN4O

>  <MolWeight> (422)
346.85442

>  <Cat> (422)
S8438

>  <Name> (422)
T-3775440 HCl

>  <Synonyms> (422)
N/A

>  <Target> (422)
Histone Demethylase

>  <Form> (422)
HCl

>  <CAS> (422)
1422535-52-1

>  <URL> (422)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/10212009122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C21H24N4O4

>  <MolWeight> (423)
396.43966

>  <Cat> (423)
S8743

>  <Name> (423)
SKLB-23bb

>  <Synonyms> (423)
N/A

>  <Target> (423)
HDAC

>  <Form> (423)
free base

>  <CAS> (423)
1815580-06-3

>  <URL> (423)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/10212009122D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C14H11ClN2O4

>  <MolWeight> (424)
306.70114

>  <Cat> (424)
S6490

>  <Name> (424)
Vadadustat

>  <Synonyms> (424)
AKB-6548, B-506, PG-1016548

>  <Target> (424)
HIF

>  <Form> (424)
Free Base

>  <CAS> (424)
1000025-07-9

>  <URL> (424)
http://www.selleck.cn/products/vadadustat.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C20H17FN2O3S

>  <MolWeight> (425)
384.4239832

>  <Cat> (425)
S6655

>  <Name> (425)
WM-8014

>  <Synonyms> (425)
N/A

>  <Target> (425)
Histone Acetyltransf

>  <Form> (425)
Free Base

>  <CAS> (425)
2055397-18-5

>  <URL> (425)
http://www.selleck.cn/products/wm-8014.html

$$$$

csChFnd80/10212009122D

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>  <CAS> (428)
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>  <URL> (428)
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309271-94-1

>  <URL> (430)
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   13.1277    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5064    3.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9852    2.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0853    1.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6065    5.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7066    6.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1854    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5642    7.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4641    6.6577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9852    5.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0430    9.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4217    9.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
 28 31  1  0  0  0  0
 21 25  1  0  0  0  0
 18 21  1  0  0  0  0
 17 18  1  0  0  0  0
 15 17  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C25H26N2O5

>  <MolWeight> (431)
434.48434

>  <Cat> (431)
S6745

>  <Name> (431)
JW55

>  <Synonyms> (431)
N/A

>  <Target> (431)
Wnt/beta-catenin

>  <Form> (431)
Free Base

>  <CAS> (431)
664993-53-7

>  <URL> (431)
http://www.selleck.cn/products/jw55.html

$$$$

csChFnd80/10212009122D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5816    6.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9465    6.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5539    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9465    8.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5816    9.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194   10.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   11.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0766   10.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
  1 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
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C27H36N2O5

>  <MolWeight> (432)
468.58514

>  <Cat> (432)
S6758

>  <Name> (432)
I-CBP112

>  <Synonyms> (432)
N/A

>  <Target> (432)
Epigenetic Reader Do

>  <Form> (432)
Free Base

>  <CAS> (432)
1640282-31-0

>  <URL> (432)
http://www.selleck.cn/products/i-cbp112.html

$$$$

csChFnd80/10212009122D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6832    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C21H25N3O4

>  <MolWeight> (433)
383.4409

>  <Cat> (433)
S2184

>  <Name> (433)
WDR5-0103

>  <Synonyms> (433)
WD-Repeat Protein 5-0103

>  <Target> (433)
Histone Methyltransferase

>  <Form> (433)
Free Base

>  <CAS> (433)
890190-22-4

>  <URL> (433)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/10212009122D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C18H37NO2

>  <MolWeight> (434)
299.49188

>  <Cat> (434)
S2210

>  <Name> (434)
Sphingosine

>  <Synonyms> (434)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (434)
Others

>  <Form> (434)
Free Base

>  <CAS> (434)
123-78-4

>  <URL> (434)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/10212009122D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.8543    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0698    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0644    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8512    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6414    2.1019    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.2914    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2914    4.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4948    2.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    2.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    2.8019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2845    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9154    4.4876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2142    3.2760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8217    3.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3474    5.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3259    5.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    0.8885    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  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
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  6  0  0  0
 13 17  1  1  0  0  0
 12 18  1  1  0  0  0
 11  6  1  6  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C11H15ClN2O5

>  <MolWeight> (435)
290.7002

>  <Cat> (435)
S2935

>  <Name> (435)
Nicotinamide Riboside Chloride

>  <Synonyms> (435)
N/A

>  <Target> (435)
Others

>  <Form> (435)
Chloride

>  <CAS> (435)
23111-00-4

>  <URL> (435)
http://www.selleck.cn/products/nicotinamide-riboside-chloride.html

$$$$

csChFnd80/10212009122D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1326    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9202    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7077    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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537034-15-4

>  <URL> (436)
http://www.selleck.cn/products/nkl-22.html

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N/A

>  <Target> (437)
HDAC

>  <Form> (437)
Free Base

>  <CAS> (437)
2374313-54-7

>  <URL> (437)
http://www.selleck.cn/products/sis17.html

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C28H38N4O3

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>  <Synonyms> (438)
N/A

>  <Target> (438)
DNA Methyltransferase

>  <Form> (438)
Free Base

>  <CAS> (438)
1846570-31-7

>  <URL> (438)
http://www.selleck.cn/products/cm272-cm-272.html

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439

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>  <MolWeight> (439)
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UBCS039

>  <Synonyms> (439)
N/A

>  <Target> (439)
Sirtuin

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Free Base

>  <CAS> (439)
358721-70-7

>  <URL> (439)
http://www.selleck.cn/products/ubcs039.html

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 10  5  1  0  0  0  0
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 14 18  1  0  0  0  0
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 25 28  1  1  0  0  0
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 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
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 36 39  1  6  0  0  0
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 42 27  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
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M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C33H40O18

>  <MolWeight> (440)
724.6599

>  <Cat> (440)
S9096

>  <Name> (440)
ligustroflavone

>  <Synonyms> (440)
Nuezhenoside

>  <Target> (440)
AMPK

>  <Form> (440)
Free Base

>  <CAS> (440)
260413-62-5

>  <URL> (440)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/10212009122D

 60 66  0  0  0  0  0  0  0  0999 V2000
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 37 34  1  0  0  0  0
 16 37  1  0  0  0  0
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 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 41 14  1  0  0  0  0
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 43 41  1  0  0  0  0
 11 43  1  0  0  0  0
 43 44  1  6  0  0  0
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 46 45  1  0  0  0  0
 16 47  1  1  0  0  0
  1 48  2  0  0  0  0
  1 49  1  0  0  0  0
 50 49  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  6  0  0  0
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 53 55  1  0  0  0  0
 55 56  1  6  0  0  0
 57 55  1  0  0  0  0
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 60 57  1  0  0  0  0
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M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C42H66O14

>  <MolWeight> (441)
794.96504

>  <Cat> (441)
S9116

>  <Name> (441)
Chikusetsusaponin Iva

>  <Synonyms> (441)
Calenduloside F

>  <Target> (441)
Immunology & Inflammation related

>  <Form> (441)
Free Base

>  <CAS> (441)
51415-02-2

>  <URL> (441)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.2538    4.4778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4632    3.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 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 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  2  0  0  0  0
  5 10  1  0  0  0  0
 21 22  1  0  0  0  0
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 21 24  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C15H16N6O3

>  <MolWeight> (442)
328.32594

>  <Cat> (442)
S6684

>  <Name> (442)
IOX4

>  <Synonyms> (442)
N/A

>  <Target> (442)
HIF

>  <Form> (442)
Free Base

>  <CAS> (442)
1154097-71-8

>  <URL> (442)
http://www.selleck.cn/products/iox4.html

$$$$

csChFnd80/10212009122D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  1  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C9H12FN3O4

>  <MolWeight> (443)
245.2076832

>  <Cat> (443)
S2477

>  <Name> (443)
2'-Deoxy-5-Fluorocytidine

>  <Synonyms> (443)
5-fluoro-2(')-deoxycytidine, FCdR

>  <Target> (443)
DNA Methyltransferas

>  <Form> (443)
Free Base

>  <CAS> (443)
10356-76-0

>  <URL> (443)
http://www.selleckchem.com/products/2-feoxy-5-fluorocytidine.html

$$$$

csChFnd80/10212009122D

 65 70  0  0  0  0  0  0  0  0999 V2000
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444

>  <Formula> (444)
C46H51F3N6O8S2

>  <MolWeight> (444)
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>  <Cat> (444)
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ASP4132

>  <Synonyms> (444)
N/A

>  <Target> (444)
AMPK

>  <Form> (444)
Free Base

>  <CAS> (444)
1640294-30-9

>  <URL> (444)
http://www.selleckchem.com/products/asp4132.html

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445

>  <Formula> (445)
C26H23N5O2

>  <MolWeight> (445)
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>  <Cat> (445)
S8961

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Alobresib (GS-5829)

>  <Synonyms> (445)
N/A

>  <Target> (445)
Epigenetic Reader Do

>  <Form> (445)
Free Base

>  <CAS> (445)
1637771-14-2

>  <URL> (445)
http://www.selleckchem.com/products/alobresib.html

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446

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C15H14FN3O2

>  <MolWeight> (446)
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S8962

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N/A

>  <Target> (446)
HDAC

>  <Form> (446)
Free Base

>  <CAS> (446)
1550053-02-5

>  <URL> (446)
http://www.selleckchem.com/products/brd3308.html

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447

>  <Formula> (447)
C22H25F3N4O

>  <MolWeight> (447)
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>  <Cat> (447)
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>  <Synonyms> (447)
N/A

>  <Target> (447)
Pim

>  <Form> (447)
Free Base

>  <CAS> (447)
1361951-15-6

>  <URL> (447)
http://www.selleckchem.com/products/tp-3654.html

$$$$

csChFnd80/10212009122D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  9 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 17 23  1  0  0  0  0
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>  <Mol_ID> (448)
448

>  <Formula> (448)
C22H26F2N4O2

>  <MolWeight> (448)
416.4642464

>  <Cat> (448)
S8876

>  <Name> (448)
RK-287107

>  <Synonyms> (448)
N/A

>  <Target> (448)
PARP

>  <Form> (448)
Free Base

>  <CAS> (448)
2171386-10-8

>  <URL> (448)
http://www.selleckchem.com/products/pk-287107.html

$$$$

csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (449)
449

>  <Formula> (449)
C17H19N3O2

>  <MolWeight> (449)
297.35166

>  <Cat> (449)
S0184

>  <Name> (449)
XY1

>  <Synonyms> (449)
N/A

>  <Target> (449)
PRMT

>  <Form> (449)
Free Base

>  <CAS> (449)
1624117-53-8

>  <URL> (449)
http://www.selleckchem.com/products/xy1.html

$$$$

csChFnd80/10212009122D

 36 39  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (450)
450

>  <Formula> (450)
C26H34N6O3S

>  <MolWeight> (450)
510.65156

>  <Cat> (450)
S0391

>  <Name> (450)
TG-89

>  <Synonyms> (450)
N/A

>  <Target> (450)
JAK

>  <Form> (450)
Free Base

>  <CAS> (450)
936091-56-4

>  <URL> (450)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/10212009122D

 12 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (451)
451

>  <Formula> (451)
C6H12N2S4

>  <MolWeight> (451)
240.43288

>  <Cat> (451)
S2431

>  <Name> (451)
Tetramethylthiuram disulfide

>  <Synonyms> (451)
Tetramethyl thiuram disulfide, Bis (dimethyldithiocarbamoyl) disulfide, Thiram, Thiuram

>  <Target> (451)
HIF

>  <Form> (451)
Free Base

>  <CAS> (451)
137-26-8

>  <URL> (451)
http://www.selleckchem.com/products/tetramethylthiuram-disulfide.html

$$$$

csChFnd80/10212009122D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    2.4249    4.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  5 22  2  0  0  0  0
  6 25  1  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
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
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 26 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C20H23ClN4O4S

>  <MolWeight> (452)
450.93902

>  <Cat> (452)
S6722

>  <Name> (452)
Seclidemstat

>  <Synonyms> (452)
SP-2577 mesylate

>  <Target> (452)
LSD1

>  <Form> (452)
Free Base

>  <CAS> (452)
1423715-37-0

>  <URL> (452)
http://www.selleckchem.com/products/seclidemstat.html

$$$$

csChFnd80/10212009122D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.3358    1.3974    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  2 13  2  0  0  0  0
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  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C14H18BrN3O2

>  <MolWeight> (453)
340.21562

>  <Cat> (453)
S6833

>  <Name> (453)
BCI-121

>  <Synonyms> (453)
N/A

>  <Target> (453)
SMYD

>  <Form> (453)
Free Base

>  <CAS> (453)
432529-82-3

>  <URL> (453)
http://www.selleckchem.com/products/bcl-121.html

$$$$

csChFnd80/10212009122D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8795    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0218    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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 27 34  1  0  0  0  0
 35 36  2  0  0  0  0
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M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C30H28O8

>  <MolWeight> (454)
516.53852

>  <Cat> (454)
S7862

>  <Name> (454)
Rottlerin

>  <Synonyms> (454)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (454)
PKC

>  <Form> (454)
Free Base

>  <CAS> (454)
82-08-6

>  <URL> (454)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
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 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 15 16  1  1  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
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M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C17H18N4O4

>  <MolWeight> (455)
342.34922

>  <Cat> (455)
S8883

>  <Name> (455)
LLY-283

>  <Synonyms> (455)
N/A

>  <Target> (455)
PRMT

>  <Form> (455)
Free Base

>  <CAS> (455)
2040291-27-6

>  <URL> (455)
http://www.selleckchem.com/products/lly-283.html

$$$$

csChFnd80/10212009122D

 69 75  0  0  0  0  0  0  0  0999 V2000
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456

>  <Formula> (456)
C49H60ClN9O8S2

>  <MolWeight> (456)
1002.6392

>  <Cat> (456)
S8889

>  <Name> (456)
MZ 1( MZ-1)

>  <Synonyms> (456)
N/A

>  <Target> (456)
Epigenetic Reader Do

>  <Form> (456)
Free Base

>  <CAS> (456)
1797406-69-9

>  <URL> (456)
http://www.selleckchem.com/products/mz-1.html

$$$$

csChFnd80/10212009122D

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>  <Mol_ID> (457)
457

>  <Formula> (457)
C20H22ClF3N2O3

>  <MolWeight> (457)
430.8484896

>  <Cat> (457)
S0022

>  <Name> (457)
YF-2

>  <Target> (457)
Histone Acetyltransf

>  <Form> (457)
free base

>  <CAS> (457)
1311423-89-8

>  <URL> (457)
http://www.selleckchem.com/products/yf-2.html

$$$$

csChFnd80/10212009122D

 49 55  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (458)
458

>  <Formula> (458)
C34H31ClN8O5S

>  <MolWeight> (458)
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>  <Cat> (458)
S0137

>  <Name> (458)
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>  <Target> (458)
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>  <Form> (458)
free base

>  <CAS> (458)
1883863-52-2

>  <URL> (458)
http://www.selleckchem.com/products/dbet57.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C17H13ClN4

>  <MolWeight> (459)
308.76492

>  <Cat> (459)
S0201

>  <Name> (459)
Z-JIB-04 (NSC 693627)

>  <Target> (459)
Histone Demethylase

>  <Form> (459)
free base

>  <CAS> (459)
199596-24-2

>  <URL> (459)
http://www.selleckchem.com/products/z-jib-04-nsc-693627.html

$$$$

csChFnd80/10212009122D

 32 34  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  1  0  0  0  0
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 26 28  1  0  0  0  0
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M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C22H22F3N3O4

>  <MolWeight> (460)
449.4229896

>  <Cat> (460)
S0709

>  <Name> (460)
Tubastatin A TFA

>  <Target> (460)
HDAC

>  <Form> (460)
trifluoroacetate

>  <CAS> (460)
1239262-52-2

>  <URL> (460)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/10212009122D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  7  2  0  0  0  0
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  5 10  1  0  0  0  0
 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C18H21N3OS

>  <MolWeight> (461)
327.44384

>  <Cat> (461)
S2176

>  <Name> (461)
Tenovin-3

>  <Target> (461)
Sirtuin

>  <Form> (461)
free base

>  <CAS> (461)
1011301-27-1

>  <URL> (461)
http://www.selleckchem.com/products/tenovin-3.html

$$$$

csChFnd80/10212009122D

 36 39  0  0  0  0  0  0  0  0999 V2000
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 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C29H41ClN2O4

>  <MolWeight> (462)
517.09984

>  <Cat> (462)
S3233

>  <Name> (462)
Emetine hydrochloride

>  <Target> (462)
HIF

>  <Form> (462)
hydrochloride

>  <CAS> (462)
14198-59-5

>  <URL> (462)
http://www.selleckchem.com/products/emetine-hydrochloride.html

$$$$

csChFnd80/10212009122D

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    6.0843    8.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2780    6.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5409    5.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6208    8.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    6.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    8.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9656    5.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    9.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
  4 29  1  0  0  0  0
  4 35  1  0  0  0  0
  5 32  1  0  0  0  0
  5 36  1  0  0  0  0
  6 33  1  0  0  0  0
  6 37  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 18  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 13  1  0  0  0  0
 10 16  1  6  0  0  0
 11 12  1  1  0  0  0
 11 17  1  0  0  0  0
 18 14  1  6  0  0  0
 15 19  1  0  0  0  0
 16 22  1  0  0  0  0
 17 20  1  0  0  0  0
 17 23  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 24  2  0  0  0  0
 21 26  1  0  0  0  0
 21 30  2  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  2  0  0  0  0
 28 29  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  2  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C29H42Cl2N2O4

>  <MolWeight> (463)
553.56078

>  <Cat> (463)
S3239

>  <Name> (463)
Emetine Dihydrochloride

>  <Target> (463)
HIF

>  <Form> (463)
Dihydrochloride

>  <CAS> (463)
316-42-7

>  <URL> (463)
http://www.selleckchem.com/products/emetine-dihydrochloride.html

$$$$

csChFnd80/10212009122D

 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
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4786    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2903    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
  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
 17 18  1  0  0  0  0
 18 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  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> (464)
464

>  <Formula> (464)
C16H18O9

>  <MolWeight> (464)
354.30872

>  <Cat> (464)
S3262

>  <Name> (464)
Scopolin

>  <Target> (464)
Sirtuin

>  <Form> (464)
free base

>  <CAS> (464)
531-44-2

>  <URL> (464)
http://www.selleckchem.com/products/scopolin.html

$$$$

csChFnd80/10212009122D

 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
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   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
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   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
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    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
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 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 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 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
 28 31  1  0  0  0  0
  7 32  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 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C27H30O15

>  <MolWeight> (465)
594.5181

>  <Cat> (465)
S3267

>  <Name> (465)
Kaempferol-3-O-rutinoside

>  <Target> (465)
Apoptosis related

>  <Form> (465)
free base

>  <CAS> (465)
17650-84-9

>  <URL> (465)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10212009122D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C30H16O8

>  <MolWeight> (466)
504.44324

>  <Cat> (466)
S3273

>  <Name> (466)
Hypericin

>  <Target> (466)
MAO

>  <Form> (466)
free base

>  <CAS> (466)
548-04-9

>  <URL> (466)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/10212009122D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C19H12O7

>  <MolWeight> (467)
352.29438

>  <Cat> (467)
S3289

>  <Name> (467)
Daphnoretin

>  <Target> (467)
PKC

>  <Form> (467)
free base

>  <CAS> (467)
2034-69-7

>  <URL> (467)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C16H12O6

>  <MolWeight> (468)
300.26288

>  <Cat> (468)
S3296

>  <Name> (468)
Hispidulin

>  <Target> (468)
Pim

>  <Form> (468)
free base

>  <CAS> (468)
1447-88-7

>  <URL> (468)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/10212009122D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C19H18NO4+

>  <MolWeight> (469)
324.35052

>  <Cat> (469)
S3299

>  <Name> (469)
Demethyleneberberine

>  <Target> (469)
Peroxidases

>  <Form> (469)
free base

>  <CAS> (469)
25459-91-0

>  <URL> (469)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/10212009122D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8859    0.0798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5544    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5544    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8859    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7088    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    0.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3185    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6879    3.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6279    2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0021    3.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4362    4.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962    5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  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> (470)
470

>  <Formula> (470)
C26H29N5O4S

>  <MolWeight> (470)
507.60456

>  <Cat> (470)
S6880

>  <Name> (470)
SRT-1460

>  <Target> (470)
Sirtuin

>  <Form> (470)
free base

>  <CAS> (470)
925432-73-1

>  <URL> (470)
http://www.selleckchem.com/products/srt-1460.html

$$$$

csChFnd80/10212009122D

 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> (471)
471

>  <Formula> (471)
C6H6N4

>  <MolWeight> (471)
134.13864

>  <Cat> (471)
S6886

>  <Name> (471)
1-Aminobenzotriazole

>  <Target> (471)
P450 (e.g. CYP17)

>  <Form> (471)
free base

>  <CAS> (471)
1614-12-6

>  <URL> (471)
http://www.selleckchem.com/products/1-aminobenzotriazole.html

$$$$

csChFnd80/10212009122D

 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
    3.6387    4.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0648    4.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0648    2.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    2.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    2.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C27H32ClN5O3

>  <MolWeight> (472)
510.02768

>  <Cat> (472)
S7803

>  <Name> (472)
GSK484 HCl

>  <Target> (472)
PAD

>  <Form> (472)
hydrochloride

>  <CAS> (472)
1652591-81-5

>  <URL> (472)
http://www.selleckchem.com/products/gsk484-hcl.html

$$$$

csChFnd80/10212009122D

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M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C25H27N5O2

>  <MolWeight> (473)
429.51418

>  <Cat> (473)
S8574

>  <Name> (473)
BI 894999

>  <Target> (473)
Epigenetic Reader Do

>  <Form> (473)
free base

>  <CAS> (473)
1660117-38-3

>  <URL> (473)
http://www.selleckchem.com/products/bi894999.html

$$$$

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M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C42H54N8O3

>  <MolWeight> (474)
718.92996

>  <Cat> (474)
S8918

>  <Name> (474)
MS1943

>  <Target> (474)
Histone Methyltransf

>  <Form> (474)
free base

>  <CAS> (474)
2225938-17-8

>  <URL> (474)
http://www.selleckchem.com/products/ms1943.html

$$$$

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free base

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2360851-29-0

>  <URL> (475)
http://www.selleckchem.com/products/rbn012759.html

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csChFnd80/10212009122D

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free base

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1422365-93-2

>  <URL> (476)
http://www.selleckchem.com/products/im156.html

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csChFnd80/10212009122D

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>  <Mol_ID> (477)
477

>  <Formula> (477)
C22H24F3N3O3

>  <MolWeight> (477)
435.4394696

>  <Cat> (477)
S9648

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>  <Form> (477)
free base

>  <CAS> (477)
0

>  <URL> (477)
http://www.selleckchem.com/products/neo2734.html

$$$$
WAY-312666
csChFnd80/10212009122D

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>  <Mol_ID> (478)
478

>  <Formula> (478)
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>  <MolWeight> (478)
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>  <Cat> (478)
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>  <Name> (478)
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>  <Synonyms> (478)
N/A

>  <Target> (478)
SIRT3

>  <Form> (478)
free base

>  <CAS> (478)
472980-46-4

>  <URL> (478)
N/A

$$$$
WAY-311318
csChFnd80/10212009122D

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>  <Mol_ID> (479)
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>  <Formula> (479)
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>  <MolWeight> (479)
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>  <Cat> (479)
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>  <Name> (479)
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>  <Synonyms> (479)
N/A

>  <Target> (479)
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>  <Form> (479)
free base

>  <CAS> (479)
333314-79-7

>  <URL> (479)
N/A

$$$$
WAY-312461
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (480)
480

>  <Formula> (480)
C25H22N2O4

>  <MolWeight> (480)
414.45318

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P3593

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WAY-312461

>  <Synonyms> (480)
N/A

>  <Target> (480)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (480)
free base

>  <CAS> (480)
420827-50-5

>  <URL> (480)
N/A

$$$$
WAY-311581
csChFnd80/10212009122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C23H25N3O4

>  <MolWeight> (481)
407.4623

>  <Cat> (481)
P3592

>  <Name> (481)
WAY-311581

>  <Synonyms> (481)
N/A

>  <Target> (481)
SIRT3

>  <Form> (481)
free base

>  <CAS> (481)
332125-86-7

>  <URL> (481)
N/A

$$$$
WAY-310766
csChFnd80/10212009122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C17H28N6O2

>  <MolWeight> (482)
348.44322

>  <Cat> (482)
P3590

>  <Name> (482)
WAY-310766

>  <Synonyms> (482)
N/A

>  <Target> (482)
PKC¦Â,PARP-1

>  <Form> (482)
free base

>  <CAS> (482)
442864-84-8

>  <URL> (482)
N/A

$$$$
WAY-118959-A
csChFnd80/10212009122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
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 16  6  1  0  0  0  0
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M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C16H14N4OS2

>  <MolWeight> (483)
342.43856

>  <Cat> (483)
P3545

>  <Name> (483)
WAY-118959-A

>  <Synonyms> (483)
N/A

>  <Target> (483)
others

>  <Form> (483)
free base

>  <CAS> (483)
315703-81-2

>  <URL> (483)
N/A

$$$$
WAY-249486
csChFnd80/10212009122D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (484)
484

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>  <Synonyms> (484)
N/A

>  <Target> (484)
HDAC

>  <Form> (484)
free base

>  <CAS> (484)
119730-10-8

>  <URL> (484)
N/A

$$$$
WAY-296712
csChFnd80/10212009122D

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 13 15  1  0  0  0  0
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 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C12H10N2O2

>  <MolWeight> (485)
214.22

>  <Cat> (485)
P3560

>  <Name> (485)
WAY-296712

>  <Synonyms> (485)
N/A

>  <Target> (485)
histone deacetylase

>  <Form> (485)
free base

>  <CAS> (485)
88530-99-8

>  <URL> (485)
N/A

$$$$
WAY-297285
csChFnd80/10212009122D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C19H23N3O3S

>  <MolWeight> (486)
373.46922

>  <Cat> (486)
P3561

>  <Name> (486)
WAY-297285

>  <Synonyms> (486)
N/A

>  <Target> (486)
others

>  <Form> (486)
free base

>  <CAS> (486)
314043-73-7

>  <URL> (486)
N/A

$$$$
WAY-297357
csChFnd80/10212009122D

 30 33  0  0  0  0  0  0  0  0999 V2000
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  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 17  1  0  0  0  0
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  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C22H19N3O5

>  <MolWeight> (487)
405.40336

>  <Cat> (487)
P3562

>  <Name> (487)
WAY-297357

>  <Synonyms> (487)
N/A

>  <Target> (487)
SIRT1

>  <Form> (487)
free base

>  <CAS> (487)
312943-99-0

>  <URL> (487)
N/A

$$$$
CL-406156
csChFnd80/10212009122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 16  1  0  0  0  0
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 14 18  1  0  0  0  0
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  5  7  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C19H22N2O2

>  <MolWeight> (488)
310.39018

>  <Cat> (488)
P3540

>  <Name> (488)
CL-406156

>  <Synonyms> (488)
N/A

>  <Target> (488)
DNA Methyltransferase 1

>  <Form> (488)
free base

>  <CAS> (488)
91324-16-2

>  <URL> (488)
N/A

$$$$
WAY-234636
csChFnd80/10212009122D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  5 10  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  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
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C16H12N4O2

>  <MolWeight> (489)
292.29208

>  <Cat> (489)
P3547

>  <Name> (489)
WAY-234636

>  <Synonyms> (489)
N/A

>  <Target> (489)
Androgen Receptor

>  <Form> (489)
free base

>  <CAS> (489)
55589-09-8

>  <URL> (489)
N/A

$$$$
WAY-298378
csChFnd80/10212009122D

 18 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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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C12H12N2O3S

>  <MolWeight> (490)
264.30028

>  <Cat> (490)
P3563

>  <Name> (490)
WAY-298378

>  <Synonyms> (490)
N/A

>  <Target> (490)
AMPK

>  <Form> (490)
free base

>  <CAS> (490)
335398-80-6

>  <URL> (490)
N/A

$$$$
WAY-298477
csChFnd80/10212009122D

 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
   12.6884    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3908    5.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9394    7.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4058    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775    8.8733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2718    8.3039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775    5.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9669    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7201    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3237    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2463    5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2146    8.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 23  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 18  2  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 24  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  1  0  0  0  0
 32 29  1  0  0  0  0
  7  9  1  0  0  0  0
 26 23  2  0  0  0  0
  8  6  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C23H22N4O5

>  <MolWeight> (491)
434.44458

>  <Cat> (491)
P3564

>  <Name> (491)
WAY-298477

>  <Synonyms> (491)
N/A

>  <Target> (491)
PKC-b II and PKB dual 

>  <Form> (491)
free base

>  <CAS> (491)
1353673-63-8

>  <URL> (491)
N/A

$$$$
WAY-298851
csChFnd80/10212009122D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1973    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    2.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    2.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386   -0.1456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -3.8249    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
  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> (492)
492

>  <Formula> (492)
C15H9ClO3

>  <MolWeight> (492)
272.68316

>  <Cat> (492)
P3565

>  <Name> (492)
WAY-298851

>  <Synonyms> (492)
N/A

>  <Target> (492)
Pim-1,Anti-infection

>  <Form> (492)
free base

>  <CAS> (492)
53391-72-3

>  <URL> (492)
N/A

$$$$
WAY-299178
csChFnd80/10212009122D

 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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   -1.2552   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6172   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2552    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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  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
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 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> (493)
493

>  <Formula> (493)
C18H19N3O

>  <MolWeight> (493)
293.36296

>  <Cat> (493)
P3566

>  <Name> (493)
WAY-299178

>  <Synonyms> (493)
N/A

>  <Target> (493)
HDAC

>  <Form> (493)
free base

>  <CAS> (493)
1031349-21-9

>  <URL> (493)
N/A

$$$$
WAY-299510
csChFnd80/10212009122D

 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
   -0.1862   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 15 18  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
 19 22  1  0  0  0  0
 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> (494)
494

>  <Formula> (494)
C16H17N5O2

>  <MolWeight> (494)
311.33848

>  <Cat> (494)
P3567

>  <Name> (494)
WAY-299510

>  <Synonyms> (494)
N/A

>  <Target> (494)
Anti-infection,STAT3

>  <Form> (494)
free base

>  <CAS> (494)
1007998-55-1

>  <URL> (494)
N/A

$$$$
WAY-325090
csChFnd80/10212009122D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8420    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1878    1.4429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C19H15N3O2S2

>  <MolWeight> (495)
381.4713

>  <Cat> (495)
P3617

>  <Name> (495)
WAY-325090

>  <Synonyms> (495)
N/A

>  <Target> (495)
microRNA

>  <Form> (495)
free base

>  <CAS> (495)
1008280-11-2

>  <URL> (495)
N/A

$$$$
CL-414715
csChFnd80/10212009122D

 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
    1.7960    1.9714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  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> (496)
496

>  <Formula> (496)
C15H15N3O4

>  <MolWeight> (496)
301.2973

>  <Cat> (496)
P3541

>  <Name> (496)
CL-414715

>  <Synonyms> (496)
N/A

>  <Target> (496)
EZH2

>  <Form> (496)
free base

>  <CAS> (496)
107392-68-7

>  <URL> (496)
N/A

$$$$
CL-418030
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
  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
  5  1  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
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 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C19H20N4OS

>  <MolWeight> (497)
352.4533

>  <Cat> (497)
P3542

>  <Name> (497)
CL-418030

>  <Synonyms> (497)
N/A

>  <Target> (497)
MLL protein and menin interaction,P2Y12 re

>  <Form> (497)
free base

>  <CAS> (497)
1093748-54-9

>  <URL> (497)
N/A

$$$$
GI-558744
csChFnd80/10212009122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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   -3.7450   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0347   -2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  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> (498)
498

>  <Formula> (498)
C14H9NO3

>  <MolWeight> (498)
239.22616

>  <Cat> (498)
P3543

>  <Name> (498)
GI-558744

>  <Synonyms> (498)
N/A

>  <Target> (498)
HIF PHD,Anti-infection

>  <Form> (498)
free base

>  <CAS> (498)
1164452-80-5

>  <URL> (498)
N/A

$$$$
WAY-223539
csChFnd80/10212009122D

 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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   -2.5479    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141    1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
   -3.5445   -0.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4004   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5410    0.0434    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  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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 17 19  1  0  0  0  0
  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C14H15NO4

>  <MolWeight> (499)
261.2732

>  <Cat> (499)
P3546

>  <Name> (499)
WAY-223539

>  <Synonyms> (499)
N/A

>  <Target> (499)
BRD4

>  <Form> (499)
free base

>  <CAS> (499)
13729-79-8

>  <URL> (499)
N/A

$$$$
WAY-299582
csChFnd80/10212009122D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    0.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4795    1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7795    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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 10 14  1  0  0  0  0
 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> (500)
500

>  <Formula> (500)
C8H12FN5O

>  <MolWeight> (500)
213.2121832

>  <Cat> (500)
P3568

>  <Name> (500)
WAY-299582

>  <Synonyms> (500)
N/A

>  <Target> (500)
KDM5A

>  <Form> (500)
free base

>  <CAS> (500)
118121-89-4

>  <URL> (500)
N/A

$$$$
WAY-299727
csChFnd80/10212009122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C18H15N3O3S

>  <MolWeight> (501)
353.395

>  <Cat> (501)
P3569

>  <Name> (501)
WAY-299727

>  <Synonyms> (501)
N/A

>  <Target> (501)
histone deacetylase

>  <Form> (501)
free base

>  <CAS> (501)
332169-78-5

>  <URL> (501)
N/A

$$$$
WAY-299788
csChFnd80/10212009122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 15  2  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
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C12H18N6O2

>  <MolWeight> (502)
278.31032

>  <Cat> (502)
P3570

>  <Name> (502)
WAY-299788

>  <Synonyms> (502)
N/A

>  <Target> (502)
PARP

>  <Form> (502)
free base

>  <CAS> (502)
50693-74-8

>  <URL> (502)
N/A

$$$$
WAY-299838
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8176    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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 13 15  1  0  0  0  0
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  7 10  2  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C18H19IN2O2

>  <MolWeight> (503)
422.26013

>  <Cat> (503)
P3571

>  <Name> (503)
WAY-299838

>  <Synonyms> (503)
N/A

>  <Target> (503)
HIF-1 

>  <Form> (503)
free base

>  <CAS> (503)
333357-56-5

>  <URL> (503)
N/A

$$$$
WAY-300386
csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
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 12 14  1  0  0  0  0
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 14 16  1  0  0  0  0
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 20 22  1  0  0  0  0
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C18H19N3O

>  <MolWeight> (504)
293.36296

>  <Cat> (504)
P3572

>  <Name> (504)
WAY-300386

>  <Synonyms> (504)
N/A

>  <Target> (504)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (504)
free base

>  <CAS> (504)
125009-81-6

>  <URL> (504)
N/A

$$$$
WAY-300488
csChFnd80/10212009122D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
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 12  9  2  0  0  0  0
 10  8  1  0  0  0  0
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 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C11H12N2S

>  <MolWeight> (505)
204.29138

>  <Cat> (505)
P3573

>  <Name> (505)
WAY-300488

>  <Synonyms> (505)
N/A

>  <Target> (505)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (505)
free base

>  <CAS> (505)
299953-94-9

>  <URL> (505)
N/A

$$$$
WAY-300662
csChFnd80/10212009122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (506)
506

>  <Formula> (506)
C20H12Cl2N2O2S

>  <MolWeight> (506)
415.29248

>  <Cat> (506)
P3574

>  <Name> (506)
WAY-300662

>  <Synonyms> (506)
N/A

>  <Target> (506)
Aurora Kinase

>  <Form> (506)
free base

>  <CAS> (506)
327051-69-4

>  <URL> (506)
N/A

$$$$
WAY-300856
csChFnd80/10212009122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  2  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
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 13 17  2  0  0  0  0
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 16 20  2  0  0  0  0
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 23 26  1  0  0  0  0
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M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C22H19N3OS

>  <MolWeight> (507)
373.47076

>  <Cat> (507)
P3575

>  <Name> (507)
WAY-300856

>  <Synonyms> (507)
N/A

>  <Target> (507)
Sirtuin,NRF2,p97

>  <Form> (507)
free base

>  <CAS> (507)
129544-85-0

>  <URL> (507)
N/A

$$$$
WAY-389228
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  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  5  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  1  0  0  0  0
 20 23  2  0  0  0  0
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 23 18  1  0  0  0  0
 11  6  2  0  0  0  0
 22 21  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C18H18N2O3

>  <MolWeight> (508)
310.34712

>  <Cat> (508)
P3638

>  <Name> (508)
WAY-389228

>  <Synonyms> (508)
N/A

>  <Target> (508)
others

>  <Form> (508)
free base

>  <CAS> (508)
300860-39-3

>  <URL> (508)
N/A

$$$$
WAY-389891
csChFnd80/10212009122D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.7292   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0792   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
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 21 22  2  0  0  0  0
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 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  5  4  1  0  0  0  0
 28 30  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C22H23ClFN3O3

>  <MolWeight> (509)
431.8877232

>  <Cat> (509)
P3639

>  <Name> (509)
WAY-389891

>  <Synonyms> (509)
N/A

>  <Target> (509)
Rtt109

>  <Form> (509)
free base

>  <CAS> (509)
327091-55-4

>  <URL> (509)
N/A

$$$$
WAY-302914
csChFnd80/10212009122D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 11 14  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C22H25N3O2

>  <MolWeight> (510)
363.4528

>  <Cat> (510)
P3576

>  <Name> (510)
WAY-302914

>  <Synonyms> (510)
N/A

>  <Target> (510)
others

>  <Form> (510)
free base

>  <CAS> (510)
313378-68-6

>  <URL> (510)
N/A

$$$$
WAY-303376
csChFnd80/10212009122D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.2931   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (511)
511

>  <Formula> (511)
C23H23N5O2

>  <MolWeight> (511)
401.46102

>  <Cat> (511)
P3577

>  <Name> (511)
WAY-303376

>  <Synonyms> (511)
N/A

>  <Target> (511)
EZH2

>  <Form> (511)
free base

>  <CAS> (511)
500270-56-4

>  <URL> (511)
N/A

$$$$
WAY-303382
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 16 18  1  0  0  0  0
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 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
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 19 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C19H21N5O

>  <MolWeight> (512)
335.40294

>  <Cat> (512)
P3578

>  <Name> (512)
WAY-303382

>  <Synonyms> (512)
N/A

>  <Target> (512)
STAT

>  <Form> (512)
free base

>  <CAS> (512)
487035-73-4

>  <URL> (512)
N/A

$$$$
WAY-303388
csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
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 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  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
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 20 17  1  0  0  0  0
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 22 18  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (513)
513

>  <Formula> (513)
C14H12N4O4

>  <MolWeight> (513)
300.26948

>  <Cat> (513)
P3579

>  <Name> (513)
WAY-303388

>  <Synonyms> (513)
N/A

>  <Target> (513)
EZH2

>  <Form> (513)
free base

>  <CAS> (513)
499210-92-3

>  <URL> (513)
N/A

$$$$
WAY-304388
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  4  1  1  0  0  0  0
  3  2  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
 17 15  1  0  0  0  0
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 21 17  2  0  0  0  0
 18 19  2  0  0  0  0
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 13 22  1  0  0  0  0
 22 14  1  0  0  0  0
 14 23  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C21H17N3O

>  <MolWeight> (514)
327.37918

>  <Cat> (514)
P3580

>  <Name> (514)
WAY-304388

>  <Synonyms> (514)
N/A

>  <Target> (514)
sirtuin,histone acetyl transferase

>  <Form> (514)
free base

>  <CAS> (514)
305357-89-5

>  <URL> (514)
N/A

$$$$
WAY-304405
csChFnd80/10212009122D

 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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   -0.5862    1.3241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  9  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C19H19NO2

>  <MolWeight> (515)
293.35966

>  <Cat> (515)
P3581

>  <Name> (515)
WAY-304405

>  <Synonyms> (515)
N/A

>  <Target> (515)
STAT,Plasmodium falciparum Equilibrative N

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free base

>  <CAS> (515)
1351505-59-3

>  <URL> (515)
N/A

$$$$
WAY-304544
csChFnd80/10212009122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C15H16N2O3

>  <MolWeight> (516)
272.29914

>  <Cat> (516)
P3582

>  <Name> (516)
WAY-304544

>  <Synonyms> (516)
N/A

>  <Target> (516)
sirtuin

>  <Form> (516)
free base

>  <CAS> (516)
347362-65-6

>  <URL> (516)
N/A

$$$$
WAY-304671
csChFnd80/10212009122D

 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> (517)
517

>  <Formula> (517)
C16H9ClN2OS2

>  <MolWeight> (517)
344.83846

>  <Cat> (517)
P3583

>  <Name> (517)
WAY-304671

>  <Synonyms> (517)
N/A

>  <Target> (517)
SMYD3

>  <Form> (517)
free base

>  <CAS> (517)
330837-95-1

>  <URL> (517)
N/A

$$$$
WAY-305238
csChFnd80/10212009122D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4414   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
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 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
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 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C18H19N3O4S

>  <MolWeight> (518)
373.42616

>  <Cat> (518)
P3584

>  <Name> (518)
WAY-305238

>  <Synonyms> (518)
N/A

>  <Target> (518)
parp1

>  <Form> (518)
free base

>  <CAS> (518)
442648-52-4

>  <URL> (518)
N/A

$$$$
WAY-305341
csChFnd80/10212009122D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C15H15N3O3S

>  <MolWeight> (519)
317.3629

>  <Cat> (519)
P3585

>  <Name> (519)
WAY-305341

>  <Synonyms> (519)
N/A

>  <Target> (519)
HDAC

>  <Form> (519)
free base

>  <CAS> (519)
353781-42-7

>  <URL> (519)
N/A

$$$$
WAY-383515
csChFnd80/10212009122D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C17H18N2O3S

>  <MolWeight> (520)
330.40142

>  <Cat> (520)
P3636

>  <Name> (520)
WAY-383515

>  <Synonyms> (520)
N/A

>  <Target> (520)
BRD4

>  <Form> (520)
free base

>  <CAS> (520)
304685-40-3

>  <URL> (520)
N/A

$$$$
WAY-305857
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1826    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7826   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929   -2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0860   -0.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5140   -3.1585    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
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 18  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
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C15H24N6O2

>  <MolWeight> (521)
320.39006

>  <Cat> (521)
P3586

>  <Name> (521)
WAY-305857

>  <Synonyms> (521)
N/A

>  <Target> (521)
PKC¦Â, PARP-1 

>  <Form> (521)
free base

>  <CAS> (521)
313471-52-2

>  <URL> (521)
N/A

$$$$
WAY-324197
csChFnd80/10212009122D

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.8875   -6.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.4167   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4042   -6.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    5.6500   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4042   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2500   -5.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  8 10  1  0  0  0  0
  3  5  1  0  0  0  0
  8 14  1  0  0  0  0
 18 16  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C21H22N2O

>  <MolWeight> (522)
318.41218

>  <Cat> (522)
P3613

>  <Name> (522)
WAY-324197

>  <Synonyms> (522)
N/A

>  <Target> (522)
SIRT2

>  <Form> (522)
free base

>  <CAS> (522)
1005095-06-6

>  <URL> (522)
N/A

$$$$
WAY-385602
csChFnd80/10212009122D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.4042   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2292   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6917   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -6.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18  5  1  0  0  0  0
 19 21  2  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 22 19  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C20H19ClFN3O3

>  <MolWeight> (523)
403.8345632

>  <Cat> (523)
P3637

>  <Name> (523)
WAY-385602

>  <Synonyms> (523)
N/A

>  <Target> (523)
fungal histone acetyltransferase Rtt109

>  <Form> (523)
free base

>  <CAS> (523)
722478-59-3

>  <URL> (523)
N/A

$$$$
WL-164379
csChFnd80/10212009122D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.5157   -3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5405   -1.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1144   -3.8258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497   -4.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -1.2463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7993   -0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1386   -3.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1758   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8066    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7852   -3.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C19H21N3OS2

>  <MolWeight> (524)
371.51954

>  <Cat> (524)
P3676

>  <Name> (524)
WL-164379

>  <Synonyms> (524)
N/A

>  <Target> (524)
STAT3

>  <Form> (524)
free base

>  <CAS> (524)
311762-65-9

>  <URL> (524)
N/A

$$$$
WAY-308264
csChFnd80/10212009122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7414    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207    0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0414   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0897   -0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2103    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C14H14N4O2S

>  <MolWeight> (525)
302.35156

>  <Cat> (525)
P3587

>  <Name> (525)
WAY-308264

>  <Synonyms> (525)
N/A

>  <Target> (525)
histone acetyltransferase

>  <Form> (525)
free base

>  <CAS> (525)
364624-08-8

>  <URL> (525)
N/A

$$$$
WAY-309060
csChFnd80/10212009122D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.9343    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1895   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C13H14N2O4

>  <MolWeight> (526)
262.26126

>  <Cat> (526)
P3588

>  <Name> (526)
WAY-309060

>  <Synonyms> (526)
N/A

>  <Target> (526)
BRD4

>  <Form> (526)
free base

>  <CAS> (526)
309951-18-6

>  <URL> (526)
N/A

$$$$
WAY-309229-A
csChFnd80/10212009122D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  7  9  1  0  0  0  0
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 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C14H13N3OS

>  <MolWeight> (527)
271.33752

>  <Cat> (527)
P3589

>  <Name> (527)
WAY-309229-A

>  <Synonyms> (527)
N/A

>  <Target> (527)
EGFR

>  <Form> (527)
free base

>  <CAS> (527)
799800-65-0

>  <URL> (527)
N/A

$$$$
WAY-352571
csChFnd80/10212009122D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -5.1125   -1.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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 10  7  1  0  0  0  0
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 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
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 20  7  2  0  0  0  0
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  4  2  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C19H17N3O4S2

>  <MolWeight> (528)
415.48598

>  <Cat> (528)
P3628

>  <Name> (528)
WAY-352571

>  <Synonyms> (528)
N/A

>  <Target> (528)
DNA methyltransferase 3A,hsp90

>  <Form> (528)
free base

>  <CAS> (528)
505054-90-0

>  <URL> (528)
N/A

$$$$
WAY-353519
csChFnd80/10212009122D

 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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 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
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 21  9  2  0  0  0  0
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M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C20H21N3O3S2

>  <MolWeight> (529)
415.52904

>  <Cat> (529)
P3629

>  <Name> (529)
WAY-353519

>  <Synonyms> (529)
N/A

>  <Target> (529)
sirtuin

>  <Form> (529)
free base

>  <CAS> (529)
690247-68-8

>  <URL> (529)
N/A

$$$$
WAY-354574
csChFnd80/10212009122D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12 14  2  0  0  0  0
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 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
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M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C20H23ClN2O3S

>  <MolWeight> (530)
406.92622

>  <Cat> (530)
P3630

>  <Name> (530)
WAY-354574

>  <Synonyms> (530)
N/A

>  <Target> (530)
SIRT2

>  <Form> (530)
free base

>  <CAS> (530)
851873-40-0

>  <URL> (530)
N/A

$$$$
WAY-354875
csChFnd80/10212009122D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (531)
531

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C17H9FN4O2S

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352.3423632

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P3631

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>  <Synonyms> (531)
N/A

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SIRT1

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free base

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720672-18-4

>  <URL> (531)
N/A

$$$$
WAY-359061
csChFnd80/10212009122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C15H13ClN2OS

>  <MolWeight> (532)
304.79452

>  <Cat> (532)
P3633

>  <Name> (532)
WAY-359061

>  <Synonyms> (532)
N/A

>  <Target> (532)
microRNA

>  <Form> (532)
free base

>  <CAS> (532)
307509-59-7

>  <URL> (532)
N/A

$$$$
WAY-380064-A
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12  9  1  0  0  0  0
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 17  8  1  0  0  0  0
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 21  4  1  0  0  0  0
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 22 23  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C19H22ClNO2

>  <MolWeight> (533)
331.83648

>  <Cat> (533)
P3634

>  <Name> (533)
WAY-380064-A

>  <Synonyms> (533)
N/A

>  <Target> (533)
PRMT5

>  <Form> (533)
free base

>  <CAS> (533)
380192-76-7

>  <URL> (533)
N/A

$$$$
WAY-382052
csChFnd80/10212009122D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
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M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C17H18N2O

>  <MolWeight> (534)
266.33762

>  <Cat> (534)
P3635

>  <Name> (534)
WAY-382052

>  <Synonyms> (534)
N/A

>  <Target> (534)
microRNA

>  <Form> (534)
free base

>  <CAS> (534)
536713-36-7

>  <URL> (534)
N/A

$$$$
WAY-616361
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C17H16N4O2

>  <MolWeight> (535)
308.33454

>  <Cat> (535)
P3654

>  <Name> (535)
WAY-616361

>  <Synonyms> (535)
N/A

>  <Target> (535)
ARTD3,PARP-1

>  <Form> (535)
free base

>  <CAS> (535)
730949-09-4

>  <URL> (535)
N/A

$$$$
WL-231219
csChFnd80/10212009122D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (536)
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N/A

>  <Target> (536)
HDAC

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free base

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842955-63-9

>  <URL> (536)
N/A

$$$$
WAY-623944
csChFnd80/10212009122D

 31 35  0  0  0  0  0  0  0  0999 V2000
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537

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C23H20N4O3S

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432.4949

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WAY-623944

>  <Synonyms> (537)
N/A

>  <Target> (537)
microRNA

>  <Form> (537)
free base

>  <CAS> (537)
438599-31-6

>  <URL> (537)
N/A

$$$$
WAY-643116
csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (538)
538

>  <Formula> (538)
C18H20N6

>  <MolWeight> (538)
320.3916

>  <Cat> (538)
P3669

>  <Name> (538)
WAY-643116

>  <Synonyms> (538)
N/A

>  <Target> (538)
microRNA

>  <Form> (538)
free base

>  <CAS> (538)
850020-01-8

>  <URL> (538)
N/A

$$$$
WAY-334681-A
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C17H15N5OS

>  <MolWeight> (539)
337.3989

>  <Cat> (539)
P3620

>  <Name> (539)
WAY-334681-A

>  <Synonyms> (539)
N/A

>  <Target> (539)
STAT3

>  <Form> (539)
free base

>  <CAS> (539)
736950-05-3

>  <URL> (539)
N/A

$$$$
WAY-334725
csChFnd80/10212009122D

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>  <Mol_ID> (540)
540

>  <Formula> (540)
C16H18N2O2

>  <MolWeight> (540)
270.32632

>  <Cat> (540)
P3621

>  <Name> (540)
WAY-334725

>  <Synonyms> (540)
N/A

>  <Target> (540)
microRNA

>  <Form> (540)
free base

>  <CAS> (540)
742116-35-4

>  <URL> (540)
N/A

$$$$
WAY-625138
csChFnd80/10212009122D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (541)
541

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C21H30N2O5S

>  <MolWeight> (541)
422.5383

>  <Cat> (541)
P3658

>  <Name> (541)
WAY-625138

>  <Synonyms> (541)
N/A

>  <Target> (541)
microRNA

>  <Form> (541)
free base

>  <CAS> (541)
756865-61-9

>  <URL> (541)
N/A

$$$$
WAY-273429
csChFnd80/10212009122D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C11H8BrN5

>  <MolWeight> (542)
290.11872

>  <Cat> (542)
P3557

>  <Name> (542)
WAY-273429

>  <Synonyms> (542)
N/A

>  <Target> (542)
AMPK

>  <Form> (542)
free base

>  <CAS> (542)
525607-71-0

>  <URL> (542)
N/A

$$$$
WAY-273431
csChFnd80/10212009122D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C11H8FN5

>  <MolWeight> (543)
229.2131232

>  <Cat> (543)
P3558

>  <Name> (543)
WAY-273431

>  <Synonyms> (543)
N/A

>  <Target> (543)
AMPK

>  <Form> (543)
free base

>  <CAS> (543)
525608-36-0

>  <URL> (543)
N/A

$$$$
WAY-277306
csChFnd80/10212009122D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C19H15N5

>  <MolWeight> (544)
313.3559

>  <Cat> (544)
P3559

>  <Name> (544)
WAY-277306

>  <Synonyms> (544)
N/A

>  <Target> (544)
EZH2

>  <Form> (544)
free base

>  <CAS> (544)
763096-21-5

>  <URL> (544)
N/A

$$$$
WAY-335492
csChFnd80/10212009122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C20H27FN2O2

>  <MolWeight> (545)
346.4389832

>  <Cat> (545)
P3622

>  <Name> (545)
WAY-335492

>  <Synonyms> (545)
N/A

>  <Target> (545)
microRNA

>  <Form> (545)
free base

>  <CAS> (545)
786725-13-1

>  <URL> (545)
N/A

$$$$
WAY-629450-A
csChFnd80/10212009122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C16H17NO

>  <MolWeight> (546)
239.31228

>  <Cat> (546)
P3659

>  <Name> (546)
WAY-629450-A

>  <Synonyms> (546)
N/A

>  <Target> (546)
HDAC

>  <Form> (546)
free base

>  <CAS> (546)
851901-67-2

>  <URL> (546)
N/A

$$$$
CL-224747
csChFnd80/10212009122D

 12 13  0  0  0  0  0  0  0  0999 V2000
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    0.4489   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.1414    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  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 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C9H8N2O

>  <MolWeight> (547)
160.17262

>  <Cat> (547)
P3539

>  <Name> (547)
CL-224747

>  <Synonyms> (547)
N/A

>  <Target> (547)
PARP

>  <Form> (547)
free base

>  <CAS> (547)
802981-45-9

>  <URL> (547)
N/A

$$$$
WAY-339491
csChFnd80/10212009122D

 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
   -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
   -3.8708    2.9833    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
   -6.7042    6.9542    0.0000 N   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
   -3.1500    2.5708    0.0000 C   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    4.2042    0.0000 O   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
   -3.1500    1.7458    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
   -5.2833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    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
   -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
   -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
   -5.9958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    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  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
 23 21  2  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
  4  6  1  0  0  0  0
 13 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C21H17N3O3S

>  <MolWeight> (548)
391.44298

>  <Cat> (548)
P3624

>  <Name> (548)
WAY-339491

>  <Synonyms> (548)
N/A

>  <Target> (548)
histone acetyl transferase,sirtuin

>  <Form> (548)
free base

>  <CAS> (548)
863589-21-3

>  <URL> (548)
N/A

$$$$
WAY-339495
csChFnd80/10212009122D

 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
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   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
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.9833    0.0000 O   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
   -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    1.7583    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
   -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> (549)
549

>  <Formula> (549)
C21H17N3O3S

>  <MolWeight> (549)
391.44298

>  <Cat> (549)
P3625

>  <Name> (549)
WAY-339495

>  <Synonyms> (549)
N/A

>  <Target> (549)
histone acetyl transferase,sirtuin

>  <Form> (549)
free base

>  <CAS> (549)
863589-28-0

>  <URL> (549)
N/A

$$$$
WAY-339500
csChFnd80/10212009122D

 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> (550)
550

>  <Formula> (550)
C21H17N3O3S

>  <MolWeight> (550)
391.44298

>  <Cat> (550)
P3626

>  <Name> (550)
WAY-339500

>  <Synonyms> (550)
N/A

>  <Target> (550)
histone acetyl transferase,sirtuin

>  <Form> (550)
free base

>  <CAS> (550)
863589-44-0

>  <URL> (550)
N/A

$$$$
WAY-339503
csChFnd80/10212009122D

 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> (551)
551

>  <Formula> (551)
C20H15N3O2S

>  <MolWeight> (551)
361.417

>  <Cat> (551)
P3627

>  <Name> (551)
WAY-339503

>  <Synonyms> (551)
N/A

>  <Target> (551)
histone acetyl transferase,sirtuin

>  <Form> (551)
free base

>  <CAS> (551)
863589-52-0

>  <URL> (551)
N/A

$$$$
WAY-613308
csChFnd80/10212009122D

 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
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   -2.0833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C18H14O4

>  <MolWeight> (552)
294.30136

>  <Cat> (552)
P3651

>  <Name> (552)
WAY-613308

>  <Synonyms> (552)
N/A

>  <Target> (552)
HDAC

>  <Form> (552)
free base

>  <CAS> (552)
503040-22-0

>  <URL> (552)
N/A

$$$$
WAY-613419
csChFnd80/10212009122D

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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C9H8N2OS

>  <MolWeight> (553)
192.23762

>  <Cat> (553)
P3652

>  <Name> (553)
WAY-613419

>  <Synonyms> (553)
N/A

>  <Target> (553)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (553)
free base

>  <CAS> (553)
14346-25-9

>  <URL> (553)
N/A

$$$$
WAY-630921
csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C19H19N3O2

>  <MolWeight> (554)
321.37306

>  <Cat> (554)
P3660

>  <Name> (554)
WAY-630921

>  <Synonyms> (554)
N/A

>  <Target> (554)
PARP

>  <Form> (554)
free base

>  <CAS> (554)
743451-47-0

>  <URL> (554)
N/A

$$$$
WAY-631668
csChFnd80/10212009122D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C27H26N4O2

>  <MolWeight> (555)
438.52094

>  <Cat> (555)
P3661

>  <Name> (555)
WAY-631668

>  <Synonyms> (555)
N/A

>  <Target> (555)
DOT1L

>  <Form> (555)
free base

>  <CAS> (555)
736189-79-0

>  <URL> (555)
N/A

$$$$
WAY-631878
csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C15H16N4O3

>  <MolWeight> (556)
300.31254

>  <Cat> (556)
P3662

>  <Name> (556)
WAY-631878

>  <Synonyms> (556)
N/A

>  <Target> (556)
BET

>  <Form> (556)
free base

>  <CAS> (556)
568567-43-1

>  <URL> (556)
N/A

$$$$
WAY-650876
csChFnd80/10212009122D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    2.2042    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.0792    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  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
  6  4  2  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C13H11N3O3S

>  <MolWeight> (557)
289.30974

>  <Cat> (557)
P3670

>  <Name> (557)
WAY-650876

>  <Synonyms> (557)
N/A

>  <Target> (557)
HDAC6

>  <Form> (557)
free base

>  <CAS> (557)
848065-95-2

>  <URL> (557)
N/A

$$$$
WAY-270360
csChFnd80/10212009122D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.9333    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  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19  6  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
  7  8  2  0  0  0  0
 16 20  1  0  0  0  0
 28 27  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C22H19N3O3

>  <MolWeight> (558)
373.40456

>  <Cat> (558)
P3549

>  <Name> (558)
WAY-270360

>  <Synonyms> (558)
N/A

>  <Target> (558)
histone acetyl transferase,sirtuin

>  <Form> (558)
free base

>  <CAS> (558)
476633-98-4

>  <URL> (558)
N/A

$$$$
WAY-270374
csChFnd80/10212009122D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.1042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.3208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    2.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  6  2  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C15H14F2N2O3S

>  <MolWeight> (559)
340.3450664

>  <Cat> (559)
P3550

>  <Name> (559)
WAY-270374

>  <Synonyms> (559)
N/A

>  <Target> (559)
microRNA

>  <Form> (559)
free base

>  <CAS> (559)
476643-66-0

>  <URL> (559)
N/A

$$$$
WAY-270603
csChFnd80/10212009122D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.4125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    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 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
  9  2  1  0  0  0  0
 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
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 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> (560)
560

>  <Formula> (560)
C23H21N3O4

>  <MolWeight> (560)
403.43054

>  <Cat> (560)
P3552

>  <Name> (560)
WAY-270603

>  <Synonyms> (560)
N/A

>  <Target> (560)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (560)
free base

>  <CAS> (560)
303141-65-3

>  <URL> (560)
N/A

$$$$
WAY-601310
csChFnd80/10212009122D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1436    0.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -0.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 12  1  0  0  0  0
  9  8  1  0  0  0  0
 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> (561)
561

>  <Formula> (561)
C11H9N3O

>  <MolWeight> (561)
199.20866

>  <Cat> (561)
P3643

>  <Name> (561)
WAY-601310

>  <Synonyms> (561)
N/A

>  <Target> (561)
PARP

>  <Form> (561)
free base

>  <CAS> (561)
25468-50-2

>  <URL> (561)
N/A

$$$$
WAY-601411
csChFnd80/10212009122D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 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
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 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> (562)
562

>  <Formula> (562)
C23H26N4O4

>  <MolWeight> (562)
422.47694

>  <Cat> (562)
P3644

>  <Name> (562)
WAY-601411

>  <Synonyms> (562)
N/A

>  <Target> (562)
HAT,sirtuin

>  <Form> (562)
free base

>  <CAS> (562)
717120-17-7

>  <URL> (562)
N/A

$$$$
WAY-601037-A
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.9000   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 21 12  2  0  0  0  0
 20 10  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C22H26N2O

>  <MolWeight> (563)
334.45464

>  <Cat> (563)
P3641

>  <Name> (563)
WAY-601037

>  <Synonyms> (563)
N/A

>  <Target> (563)
DNA Methyltransferase 1

>  <Form> (563)
free base

>  <CAS> (563)
300590-63-0

>  <URL> (563)
N/A

$$$$
WAY-601116
csChFnd80/10212009122D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0125    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7667    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8542    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  2  0  0  0  0
  6  5  1  0  0  0  0
 28 20  2  0  0  0  0
 25 19  2  0  0  0  0
 29 26  1  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C23H18N2O4

>  <MolWeight> (564)
386.40002

>  <Cat> (564)
P3642

>  <Name> (564)
WAY-601116

>  <Synonyms> (564)
N/A

>  <Target> (564)
microRNA

>  <Form> (564)
free base

>  <CAS> (564)
353763-50-5

>  <URL> (564)
N/A

$$$$
WAY-601673
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7861    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C20H26ClN3O

>  <MolWeight> (565)
359.89294

>  <Cat> (565)
P3645

>  <Name> (565)
WAY-601673

>  <Synonyms> (565)
N/A

>  <Target> (565)
HIF PHD,Prolylhydroxylase

>  <Form> (565)
free base

>  <CAS> (565)
380192-95-0

>  <URL> (565)
N/A

$$$$
WAY-615693
csChFnd80/10212009122D

 26 30  0  0  0  0  0  0  0  0999 V2000
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   -0.4083    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9042   -2.8875    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  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  6  4  1  0  0  0  0
 21 19  1  0  0  0  0
 11  7  1  0  0  0  0
 16 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C21H24N4S

>  <MolWeight> (566)
364.50706

>  <Cat> (566)
P3653

>  <Name> (566)
WAY-615693

>  <Synonyms> (566)
N/A

>  <Target> (566)
MLL protein and menin interaction

>  <Form> (566)
free base

>  <CAS> (566)
568575-51-9

>  <URL> (566)
N/A

$$$$
WAY-632889
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C18H11BrN2O4

>  <MolWeight> (567)
399.19494

>  <Cat> (567)
P3663

>  <Name> (567)
WAY-632889

>  <Synonyms> (567)
N/A

>  <Target> (567)
microRNA

>  <Form> (567)
free base

>  <CAS> (567)
784169-89-7

>  <URL> (567)
N/A

$$$$
WAY-633558
csChFnd80/10212009122D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
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 21 20  1  0  0  0  0
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 12  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C15H15N5S

>  <MolWeight> (568)
297.3781

>  <Cat> (568)
P3664

>  <Name> (568)
WAY-633558

>  <Synonyms> (568)
N/A

>  <Target> (568)
MLL protein and menin interaction

>  <Form> (568)
free base

>  <CAS> (568)
786715-29-5

>  <URL> (568)
N/A

$$$$
WAY-652291
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
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 23 21  1  0  0  0  0
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 25 24  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C18H17N3O4

>  <MolWeight> (569)
339.34528

>  <Cat> (569)
P3671

>  <Name> (569)
WAY-652291

>  <Synonyms> (569)
N/A

>  <Target> (569)
BET Bromodomain

>  <Form> (569)
free base

>  <CAS> (569)
854137-39-6

>  <URL> (569)
N/A

$$$$
WAY-652941
csChFnd80/10212009122D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 11  1  1  0  0  0  0
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 13  1  2  0  0  0  0
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 15  5  2  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C19H20N4O4S

>  <MolWeight> (570)
400.4515

>  <Cat> (570)
P3672

>  <Name> (570)
WAY-652941

>  <Synonyms> (570)
N/A

>  <Target> (570)
PARP,Rac1

>  <Form> (570)
free base

>  <CAS> (570)
854022-49-4

>  <URL> (570)
N/A

$$$$
WAY-271933
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  1  0  0  0  0
 21 16  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C15H15N5O2S

>  <MolWeight> (571)
329.3769

>  <Cat> (571)
P3553

>  <Name> (571)
WAY-271933

>  <Synonyms> (571)
N/A

>  <Target> (571)
DOT1L

>  <Form> (571)
free base

>  <CAS> (571)
612525-79-8

>  <URL> (571)
N/A

$$$$
WAY-272124
csChFnd80/10212009122D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.4917    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 19 28  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C24H23N3O4

>  <MolWeight> (572)
417.45712

>  <Cat> (572)
P3554

>  <Name> (572)
WAY-272124

>  <Synonyms> (572)
N/A

>  <Target> (572)
histone acetyl transferase,sirtuin

>  <Form> (572)
free base

>  <CAS> (572)
694469-31-3

>  <URL> (572)
N/A

$$$$
WAY-272172
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.9042    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    4.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9500    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (573)
573

>  <Formula> (573)
C17H18N2O3S

>  <MolWeight> (573)
330.40142

>  <Cat> (573)
P3555

>  <Name> (573)
WAY-272172

>  <Synonyms> (573)
N/A

>  <Target> (573)
microRNA

>  <Form> (573)
free base

>  <CAS> (573)
702650-31-5

>  <URL> (573)
N/A

$$$$
WAY-272277
csChFnd80/10212009122D

 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
    7.9281   10.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (574)
574

>  <Formula> (574)
C24H23N3O4

>  <MolWeight> (574)
417.45712

>  <Cat> (574)
P3556

>  <Name> (574)
WAY-272277

>  <Synonyms> (574)
N/A

>  <Target> (574)
histone acetyl transferase,sirtuin

>  <Form> (574)
free base

>  <CAS> (574)
708995-11-3

>  <URL> (574)
N/A

$$$$
WAY-320144
csChFnd80/10212009122D

 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
   -4.0444    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.9142   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.0763   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (575)
575

>  <Formula> (575)
C23H21N3O4

>  <MolWeight> (575)
403.43054

>  <Cat> (575)
P3595

>  <Name> (575)
WAY-320144

>  <Synonyms> (575)
N/A

>  <Target> (575)
histone acetyl transferase,sirtuin

>  <Form> (575)
free base

>  <CAS> (575)
313275-18-2

>  <URL> (575)
N/A

$$$$
WAY-320391
csChFnd80/10212009122D

 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
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 10  9  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C20H18ClN3O2S

>  <MolWeight> (576)
399.89382

>  <Cat> (576)
P3596

>  <Name> (576)
WAY-320391

>  <Synonyms> (576)
N/A

>  <Target> (576)
DNA Methyltransferase 1

>  <Form> (576)
free base

>  <CAS> (576)
488825-25-8

>  <URL> (576)
N/A

$$$$
WAY-601986
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 22  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
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 23 20  1  0  0  0  0
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 25 23  2  0  0  0  0
  3  4  1  0  0  0  0
 13 15  2  0  0  0  0
 18 14  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C19H14N4OS

>  <MolWeight> (577)
346.40566

>  <Cat> (577)
P3646

>  <Name> (577)
WAY-601986

>  <Synonyms> (577)
N/A

>  <Target> (577)
PARP

>  <Form> (577)
free base

>  <CAS> (577)
375394-80-2

>  <URL> (577)
N/A

$$$$
SD-57881
csChFnd80/10212009122D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6562    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
  8  2  1  0  0  0  0
 17 18  1  0  0  0  0
  1  9  1  0  0  0  0
 18 19  1  0  0  0  0
  9  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19  7  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
 10 11  2  0  0  0  0
 16 21  2  0  0  0  0
  5  6  2  0  0  0  0
 16 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C15H13N3O3S2

>  <MolWeight> (578)
347.41202

>  <Cat> (578)
P3544

>  <Name> (578)
SD-57881

>  <Synonyms> (578)
N/A

>  <Target> (578)
zinc metalloenzyme

>  <Form> (578)
free base

>  <CAS> (578)
349415-77-6

>  <URL> (578)
N/A

$$$$
WAY-320884
csChFnd80/10212009122D

 24 26  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  3  2  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
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  8  2  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  3  1  0  0  0  0
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 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  4  6  1  0  0  0  0
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 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C16H19N3O4S

>  <MolWeight> (579)
349.40476

>  <Cat> (579)
P3597

>  <Name> (579)
WAY-320884

>  <Synonyms> (579)
N/A

>  <Target> (579)
sirtuin 5

>  <Form> (579)
free base

>  <CAS> (579)
450356-20-4

>  <URL> (579)
N/A

$$$$
WAY-321539
csChFnd80/10212009122D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
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  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
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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
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 11 12  2  0  0  0  0
  8  7  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C15H15N5O2

>  <MolWeight> (580)
297.3119

>  <Cat> (580)
P3598

>  <Name> (580)
WAY-321539

>  <Synonyms> (580)
N/A

>  <Target> (580)
STAT3

>  <Form> (580)
free base

>  <CAS> (580)
332074-13-2

>  <URL> (580)
N/A

$$$$
WAY-321944
csChFnd80/10212009122D

 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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    1.1453   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0029    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    0.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    1.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    2.0376    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  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
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 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> (581)
581

>  <Formula> (581)
C17H16N2O3

>  <MolWeight> (581)
296.32054

>  <Cat> (581)
P3600

>  <Name> (581)
WAY-321944

>  <Synonyms> (581)
N/A

>  <Target> (581)
BRD4,Anti-infection

>  <Form> (581)
free base

>  <CAS> (581)
10001-31-7

>  <URL> (581)
N/A

$$$$
WAY-322593
csChFnd80/10212009122D

 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
    2.4341    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0995    4.8337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    6.2524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3404    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3786    2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0115    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  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> (582)
582

>  <Formula> (582)
C19H17ClN2O

>  <MolWeight> (582)
324.80408

>  <Cat> (582)
P3601

>  <Name> (582)
WAY-322593

>  <Synonyms> (582)
N/A

>  <Target> (582)
HIF PHD,apoptosis

>  <Form> (582)
free base

>  <CAS> (582)
501017-82-9

>  <URL> (582)
N/A

$$$$
WAY-322757
csChFnd80/10212009122D

 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
    2.0792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.2167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  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
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  2  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 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> (583)
583

>  <Formula> (583)
C25H21N5O3

>  <MolWeight> (583)
439.46594

>  <Cat> (583)
P3602

>  <Name> (583)
WAY-322757

>  <Synonyms> (583)
N/A

>  <Target> (583)
MLL-menin interaction

>  <Form> (583)
free base

>  <CAS> (583)
683806-57-7

>  <URL> (583)
N/A

$$$$
WAY-323061
csChFnd80/10212009122D

 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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    3.9875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
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  7  3  1  0  0  0  0
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 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
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 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
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 23 15  1  0  0  0  0
 24 18  2  0  0  0  0
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 26 21  1  0  0  0  0
 27 19  2  0  0  0  0
 28 20  2  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
 31 25  2  0  0  0  0
 32 24  1  0  0  0  0
 33 31  1  0  0  0  0
  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> (584)
584

>  <Formula> (584)
C25H21N5O2S

>  <MolWeight> (584)
455.53154

>  <Cat> (584)
P3603

>  <Name> (584)
WAY-323061

>  <Synonyms> (584)
N/A

>  <Target> (584)
SIRT2

>  <Form> (584)
free base

>  <CAS> (584)
550301-63-8

>  <URL> (584)
N/A

$$$$
WAY-323062
csChFnd80/10212009122D

 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
    2.3792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7000    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C21H22N6OS2

>  <MolWeight> (585)
438.56898

>  <Cat> (585)
P3604

>  <Name> (585)
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>  <Synonyms> (585)
N/A

>  <Target> (585)
SIRT2

>  <Form> (585)
free base

>  <CAS> (585)
. 522650-91-5

>  <URL> (585)
N/A

$$$$
WAY-323091
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C22H15Cl2N3O2

>  <MolWeight> (586)
424.2794

>  <Cat> (586)
P3605

>  <Name> (586)
WAY-323091

>  <Synonyms> (586)
N/A

>  <Target> (586)
PARP

>  <Form> (586)
free base

>  <CAS> (586)
684234-55-7

>  <URL> (586)
N/A

$$$$
WAY-323092
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C22H15Cl2N3O2

>  <MolWeight> (587)
424.2794

>  <Cat> (587)
P3606

>  <Name> (587)
WAY-323092

>  <Synonyms> (587)
N/A

>  <Target> (587)
PARP

>  <Form> (587)
free base

>  <CAS> (587)
684234-56-8

>  <URL> (587)
N/A

$$$$
WAY-323093
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C22H15BrClN3O2

>  <MolWeight> (588)
468.7304

>  <Cat> (588)
P3607

>  <Name> (588)
WAY-323093

>  <Synonyms> (588)
N/A

>  <Target> (588)
PARP

>  <Form> (588)
free base

>  <CAS> (588)
684234-57-9

>  <URL> (588)
N/A

$$$$
WAY-323096
csChFnd80/10212009122D

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 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
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 22  2  0  0  0  0
 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> (589)
589

>  <Formula> (589)
C22H15ClFN3O2

>  <MolWeight> (589)
407.8248032

>  <Cat> (589)
P3608

>  <Name> (589)
WAY-323096

>  <Synonyms> (589)
N/A

>  <Target> (589)
PARP

>  <Form> (589)
free base

>  <CAS> (589)
684234-60-4

>  <URL> (589)
N/A

$$$$
WAY-394670
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    7.8038    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2257    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   12.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314   11.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718   11.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906   10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  8  9  1  0  0  0  0
  8 20  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
 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
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 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> (590)
590

>  <Formula> (590)
C19H14N4OS

>  <MolWeight> (590)
346.40566

>  <Cat> (590)
P3640

>  <Name> (590)
WAY-394670

>  <Synonyms> (590)
N/A

>  <Target> (590)
PARP

>  <Form> (590)
free base

>  <CAS> (590)
378786-16-4

>  <URL> (590)
N/A

$$$$
WAY-603656
csChFnd80/10212009122D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  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> (591)
591

>  <Formula> (591)
C11H8N2OS2

>  <MolWeight> (591)
248.32402

>  <Cat> (591)
P3648

>  <Name> (591)
WAY-603656

>  <Synonyms> (591)
N/A

>  <Target> (591)
histone acetyltransferases,Nox enzyme

>  <Form> (591)
free base

>  <CAS> (591)
717118-15-5

>  <URL> (591)
N/A

$$$$
WAY-603657
csChFnd80/10212009122D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  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> (592)
592

>  <Formula> (592)
C14H8N2OS2

>  <MolWeight> (592)
284.35612

>  <Cat> (592)
P3649

>  <Name> (592)
WAY-603657

>  <Synonyms> (592)
N/A

>  <Target> (592)
histone acetyltransferases

>  <Form> (592)
free base

>  <CAS> (592)
100527-13-7

>  <URL> (592)
N/A

$$$$
WAY-638078
csChFnd80/10212009122D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -2.8083   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5208   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 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
 24 21  1  0  0  0  0
 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> (593)
593

>  <Formula> (593)
C20H22N4O2

>  <MolWeight> (593)
350.41428

>  <Cat> (593)
P3665

>  <Name> (593)
WAY-638078

>  <Synonyms> (593)
N/A

>  <Target> (593)
PARP

>  <Form> (593)
free base

>  <CAS> (593)
794562-86-0

>  <URL> (593)
N/A

$$$$
WAY-655845
csChFnd80/10212009122D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4458    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 19  9  1  0  0  0  0
 24 25  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C17H21N3O3S2

>  <MolWeight> (594)
379.49694

>  <Cat> (594)
P3673

>  <Name> (594)
WAY-655845

>  <Synonyms> (594)
N/A

>  <Target> (594)
SIRT2

>  <Form> (594)
free base

>  <CAS> (594)
865267-78-3

>  <URL> (594)
N/A

$$$$
WAY-657361
csChFnd80/10212009122D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C17H15N3O4

>  <MolWeight> (595)
325.3187

>  <Cat> (595)
P3674

>  <Name> (595)
WAY-657361

>  <Synonyms> (595)
N/A

>  <Target> (595)
BET Bromodomain

>  <Form> (595)
free base

>  <CAS> (595)
852957-78-9

>  <URL> (595)
N/A

$$$$
WAY-323744
csChFnd80/10212009122D

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 10 20  1  0  0  0  0
 11  4  2  0  0  0  0
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 15  9  1  0  0  0  0
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 19 24  1  0  0  0  0
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 22  6  2  0  0  0  0
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M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C20H15N3O5S

>  <MolWeight> (596)
409.4152

>  <Cat> (596)
P3609

>  <Name> (596)
WAY-323744

>  <Synonyms> (596)
N/A

>  <Target> (596)
EZH2

>  <Form> (596)
free base

>  <CAS> (596)
854134-90-0

>  <URL> (596)
N/A

$$$$
WAY-324030
csChFnd80/10212009122D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C15H16N2O

>  <MolWeight> (597)
240.30034

>  <Cat> (597)
P3610

>  <Name> (597)
WAY-324030

>  <Synonyms> (597)
N/A

>  <Target> (597)
CBP/EP300 

>  <Form> (597)
free base

>  <CAS> (597)
92579-34-5

>  <URL> (597)
N/A

$$$$
WAY-324142
csChFnd80/10212009122D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (598)
598

>  <Formula> (598)
C19H15N3O2S

>  <MolWeight> (598)
349.4063

>  <Cat> (598)
P3611

>  <Name> (598)
WAY-324142

>  <Synonyms> (598)
N/A

>  <Target> (598)
HAT,sirtuin

>  <Form> (598)
free base

>  <CAS> (598)
667910-69-2

>  <URL> (598)
N/A

$$$$
WAY-324205
csChFnd80/10212009122D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (599)
599

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N/A

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SIRT2

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free base

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1005095-05-5

>  <URL> (599)
N/A

$$$$
WAY-324359
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (600)
600

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C23H18ClN3O2

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N/A

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PARP

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free base

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836640-15-4

>  <URL> (600)
N/A

$$$$
WAY-324979
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (601)
601

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C14H13ClN4S

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>  <Name> (601)
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>  <Synonyms> (601)
N/A

>  <Target> (601)
MicroRNA

>  <Form> (601)
free base

>  <CAS> (601)
221120-57-6

>  <URL> (601)
N/A

$$$$
WAY-620473
csChFnd80/10212009122D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C17H20N4O3

>  <MolWeight> (602)
328.3657

>  <Cat> (602)
P3655

>  <Name> (602)
WAY-620473

>  <Synonyms> (602)
N/A

>  <Target> (602)
PARP-1

>  <Form> (602)
free base

>  <CAS> (602)
743451-55-0

>  <URL> (602)
N/A

$$$$
WAY-639320
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C17H16N8S

>  <MolWeight> (603)
364.42754

>  <Cat> (603)
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>  <Name> (603)
WAY-639320

>  <Synonyms> (603)
N/A

>  <Target> (603)
MicroRNA

>  <Form> (603)
free base

>  <CAS> (603)
796060-12-3

>  <URL> (603)
N/A

$$$$
WAY-639432
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (604)
604

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N/A

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EZH2

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free base

>  <CAS> (604)
796050-78-7

>  <URL> (604)
N/A

$$$$
WAY-659224
csChFnd80/10212009122D

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M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C16H18N2O4

>  <MolWeight> (605)
302.32512

>  <Cat> (605)
P3675

>  <Name> (605)
WAY-659224

>  <Synonyms> (605)
N/A

>  <Target> (605)
HDAC

>  <Form> (605)
free base

>  <CAS> (605)
864853-56-5

>  <URL> (605)
N/A

$$$$
WAY-326107
csChFnd80/10212009122D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C17H16F2N4O2

>  <MolWeight> (606)
346.3313464

>  <Cat> (606)
P3618

>  <Name> (606)
WAY-326107

>  <Synonyms> (606)
N/A

>  <Target> (606)
MicroRNA

>  <Form> (606)
free base

>  <CAS> (606)
869714-54-5

>  <URL> (606)
N/A

$$$$
WAY-327520
csChFnd80/10212009122D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C17H18N4O

>  <MolWeight> (607)
294.35102

>  <Cat> (607)
P3619

>  <Name> (607)
WAY-327520

>  <Synonyms> (607)
N/A

>  <Target> (607)
BRD4-TAF1

>  <Form> (607)
free base

>  <CAS> (607)
876710-97-3

>  <URL> (607)
N/A

$$$$
WAY-608116
csChFnd80/10212009122D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C14H10N4S

>  <MolWeight> (608)
266.321

>  <Cat> (608)
P3650

>  <Name> (608)
WAY-608116

>  <Synonyms> (608)
N/A

>  <Target> (608)
BRD4

>  <Form> (608)
free base

>  <CAS> (608)
380546-70-3

>  <URL> (608)
N/A

$$$$
WAY-621850
csChFnd80/10212009122D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C21H21FN4O2

>  <MolWeight> (609)
380.4154432

>  <Cat> (609)
P3656

>  <Name> (609)
WAY-621850

>  <Synonyms> (609)
N/A

>  <Target> (609)
PARP

>  <Form> (609)
free base

>  <CAS> (609)
745035-11-4

>  <URL> (609)
N/A

$$$$
WAY-641015
csChFnd80/10212009122D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.3250    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  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  7  4  2  0  0  0  0
  9  6  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C16H15N3O2

>  <MolWeight> (610)
281.3092

>  <Cat> (610)
P3668

>  <Name> (610)
WAY-641015

>  <Synonyms> (610)
N/A

>  <Target> (610)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (610)
free base

>  <CAS> (610)
851175-95-6

>  <URL> (610)
N/A

$$$$
