ABT-888(Veliparib).cdx
csChFnd80/10202017462D

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ABT-888 (Veliparib)

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PARP 

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912444-00-9

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http://www.selleckchem.com/products/ABT-888.html

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untitled.cdx
csChFnd80/10202017462D

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HDAC 

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404950-80-7

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http://www.selleckchem.com/products/LBH-589.html

$$$$
untitled.cdx
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3

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C28H22F3N7O

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Nilotinib (AMN-107)

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Tasigna 

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Bcr-Abl

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Free Base

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

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

$$$$
AR-42.cdx
csChFnd80/10202017462D

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AR-42 (HDAC-42)

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OSU-HDAC42

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HDAC 

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Free Base

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

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

$$$$
vorinostat.cdx
csChFnd80/10202017462D

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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
csChFnd80/10202017462D

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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

$$$$
untitled.cdx
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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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763113-22-0

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PARP 

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>  <CAS> (11)
160003-66-7

>  <URL> (11)
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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)
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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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csChFnd80/10202017462D

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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
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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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C28H39N7O3

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PLK

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Free Base

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755038-02-9

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

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csChFnd80/10202017462D

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>  <Mol_ID> (19)
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Mocetinostat (MGCD0103)

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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

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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

$$$$
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>  <Mol_ID> (21)
21

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C7H8N2O

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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

>  <CAS> (22)
1028486-01-2

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

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AT9283

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N/A

>  <Target> (23)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
896466-04-9

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

$$$$
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>  <Mol_ID> (24)
24

>  <Formula> (24)
C17H14N2O3

>  <MolWeight> (24)
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>  <Cat> (24)
S1143

>  <Name> (24)
AG-490 (Tyrphostin B42)

>  <Synonyms> (24)
N/A

>  <Target> (24)
JAK, EGFR

>  <Form> (24)
Free Base

>  <CAS> (24)
133550-30-8 

>  <URL> (24)
http://www.selleckchem.com/products/AG-490.html

$$$$
untitled.cdx
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>  <Mol_ID> (25)
25

>  <Formula> (25)
C26H30FN7O3

>  <MolWeight> (25)
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>  <Name> (25)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (25)
AZD1152 

>  <Target> (25)
Aurora Kinase

>  <Form> (25)
Free Base

>  <CAS> (25)
722544-51-6

>  <URL> (25)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
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>  <Mol_ID> (26)
26

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CYC116

>  <Synonyms> (26)
N/A

>  <Target> (26)
Aurora Kinase, VEGFR

>  <Form> (26)
Free Base

>  <CAS> (26)
693228-63-6

>  <URL> (26)
http://www.selleckchem.com/products/CYC116.html

$$$$
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csChFnd80/10202017462D

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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C14H11F3N2OS

>  <MolWeight> (27)
312.3101496

>  <Cat> (27)
S1180

>  <Name> (27)
XAV-939

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Wnt/beta-catenin

>  <Form> (27)
Free Base

>  <CAS> (27)
284028-89-3

>  <URL> (27)
http://www.selleckchem.com/products/XAV-939.html

$$$$
ENMD-2076.cdx
csChFnd80/10202017462D

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

>  <Formula> (28)
C21H25N7

>  <MolWeight> (28)
375.4701

>  <Cat> (28)
S1181

>  <Name> (28)
ENMD-2076

>  <Synonyms> (28)
N/A 

>  <Target> (28)
Flt, Aurora Kinase, VEGFR

>  <Form> (28)
Tartaric Acid 

>  <CAS> (28)
934353-76-1

>  <URL> (28)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/10202017462D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C24H26N4O4

>  <MolWeight> (29)
434.48764

>  <Cat> (29)
S1194

>  <Name> (29)
CUDC-101

>  <Synonyms> (29)
N/A

>  <Target> (29)
HDAC, EGFR, HER2

>  <Form> (29)
Free Base

>  <CAS> (29)
1012054-59-9

>  <URL> (29)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10202017462D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C8H12N4O4

>  <MolWeight> (30)
228.20528

>  <Cat> (30)
S1200

>  <Name> (30)
Decitabine

>  <Synonyms> (30)
Dacogen

>  <Target> (30)
DNA/RNA Synthesis

>  <Form> (30)
Free Base

>  <CAS> (30)
2353-33-5

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

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10202017462D

 41 44  0  0  0  0  0  0  0  0999 V2000
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 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C27H30ClNO11

>  <MolWeight> (31)
579.9802

>  <Cat> (31)
S1208

>  <Name> (31)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (31)
N/A 

>  <Target> (31)
Topoisomerase

>  <Form> (31)
Hydrochloride

>  <CAS> (31)
25316-40-9

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

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10202017462D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C4H3FN2O2

>  <MolWeight> (32)
130.0772232

>  <Cat> (32)
S1209

>  <Name> (32)
Adrucil (Fluorouracil)

>  <Synonyms> (32)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (32)
DNA/RNA Synthesis

>  <Form> (32)
Free Base

>  <CAS> (32)
51-21-8

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

$$$$
Etoposide.cdx
csChFnd80/10202017462D

 47 53  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  6  0  0  0
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 31 32  1  0  0  0  0
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 36 40  1  1  0  0  0
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 34 45  1  6  0  0  0
 35 46  1  1  0  0  0
 43 47  1  6  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C29H32O13

>  <MolWeight> (33)
588.55658

>  <Cat> (33)
S1225

>  <Name> (33)
Etoposide (VP-16)
Etoposide

>  <Synonyms> (33)
Vepesid 

>  <Target> (33)
Topoisomerase

>  <Form> (33)
Free Base

>  <CAS> (33)
33419-42-0

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

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10202017462D

 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
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4786    4.2000    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
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    1.2082    2.7976    0.0000 O   0  0  0  0  0  0  0  0  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 17 12  1  0  0  0  0
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 18 19  1  0  0  0  0
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 10 21  1  6  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> (34)
34

>  <Formula> (34)
C19H26O3

>  <MolWeight> (34)
302.40794

>  <Cat> (34)
S1233

>  <Name> (34)
2-Methoxyestradiol

>  <Synonyms> (34)
2-ME2

>  <Target> (34)
HIF

>  <Form> (34)
Free Base

>  <CAS> (34)
362-07-2

>  <URL> (34)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10202017462D

 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
    1.2082    2.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C6H6N6O2

>  <MolWeight> (35)
194.15084

>  <Cat> (35)
S1237

>  <Name> (35)
Temozolomide

>  <Synonyms> (35)
Methazolastone, Temodar, Temodal

>  <Target> (35)
DNA/RNA Synthesis

>  <Form> (35)
Free Base

>  <CAS> (35)
85622-93-1

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

$$$$
JNJ-7706621.cdx
csChFnd80/10202017462D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C15H12F2N6O3S

>  <MolWeight> (36)
394.3559864

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S1249

>  <Name> (36)
JNJ-7706621

>  <Synonyms> (36)
N/A 

>  <Target> (36)
CDK, Aurora Kinase

>  <Form> (36)
Free Base

>  <CAS> (36)
443797-96-4

>  <URL> (36)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C6H6N2O

>  <MolWeight> (37)
122.12464

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S1899

>  <Name> (37)
Nicotinamide (Vitamin B3)

>  <Synonyms> (37)
Niacinamide

>  <Target> (37)
Sirtuin

>  <Form> (37)
Free Base

>  <CAS> (37)
98-92-0

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

$$$$
resveratrol.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C14H12O3

>  <MolWeight> (38)
228.24328

>  <Cat> (38)
S1396

>  <Name> (38)
Resveratrol

>  <Synonyms> (38)
N/A

>  <Target> (38)
Sirtuin

>  <Form> (38)
Free Base

>  <CAS> (38)
501-36-0

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

$$$$
Droxinostat.cdx
csChFnd80/10202017462D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C11H14ClNO3

>  <MolWeight> (39)
243.68676

>  <Cat> (39)
S1422

>  <Name> (39)
Droxinostat

>  <Synonyms> (39)
N/A

>  <Target> (39)
HDAC 

>  <Form> (39)
Free Base

>  <CAS> (39)
99873-43-5

>  <URL> (39)
http://www.selleckchem.com/products/Droxinostat.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10202017462D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C31H31ClFN7O2

>  <MolWeight> (40)
588.0749432

>  <Cat> (40)
S1451

>  <Name> (40)
Aurora A Inhibitor I

>  <Synonyms> (40)
N/A

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <CAS> (40)
1158838-45-9

>  <URL> (40)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/10202017462D

 37 41  0  0  0  0  0  0  0  0999 V2000
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934162-61-5

>  <URL> (46)
http://www.selleckchem.com/products/A-966492.html

$$$$
Hesperadin .cdx
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>  <Mol_ID> (47)
47

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Aurora Kinase

>  <Form> (47)
Free Base

>  <CAS> (47)
422513-13-1

>  <URL> (47)
http://www.selleckchem.com/products/Hesperadin.html

$$$$
EX527.cdx
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>  <Mol_ID> (48)
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C13H13ClN2O

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EX 527

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SEN0014196

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Sirtuin

>  <Form> (48)
Free Base

>  <CAS> (48)
49843-98-3

>  <URL> (48)
http://www.selleckchem.com/products/EX-527.html

$$$$
BMS777607.cdx
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>  <Mol_ID> (49)
49

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C25H19ClF2N4O4

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S1561

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BMS 777607

>  <Synonyms> (49)
N/A 

>  <Target> (49)
c-Met

>  <Form> (49)
Free Base

>  <CAS> (49)
1025720-94-8

>  <URL> (49)
http://www.selleckchem.com/products/BMS-777607.html

$$$$
Fasudil HCl.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (50)
50

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C14H18ClN3O2S

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S1573

>  <Name> (50)
Fasudil HCl (HA-1077)

>  <Synonyms> (50)
AT-877 

>  <Target> (50)
ROCK

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Hydrochloride

>  <CAS> (50)
105628-07-7

>  <URL> (50)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$

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    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2829  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C27H30Cl2F2N6O

>  <MolWeight> (51)
563.4695064

>  <Cat> (51)
S2686

>  <Name> (51)
NVP-BSK805 2HCl

>  <Synonyms> (51)
N/A

>  <Target> (51)
JAK

>  <Form> (51)
HCl

>  <CAS> (51)
1092499-93-8 (free base)

>  <URL> (51)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10202017462D

 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> (52)
52

>  <Formula> (52)
C16H31NaO4

>  <MolWeight> (52)
310.40471

>  <Cat> (52)
S1703

>  <Name> (52)
Divalproex sodium

>  <Synonyms> (52)
Depakote, Epival

>  <Target> (52)
HDAC

>  <Form> (52)
Sodium Salt

>  <CAS> (52)
76584-70-8

>  <URL> (52)
http://www.selleckchem.com/products/Divalproex-sodium.html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10202017462D

 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> (53)
53

>  <Formula> (53)
C5H5N5S

>  <MolWeight> (53)
167.1917

>  <Cat> (53)
S1774

>  <Name> (53)
Thioguanine

>  <Synonyms> (53)
6-Thioguanine

>  <Target> (53)
Others

>  <Form> (53)
Free Base

>  <CAS> (53)
154-42-7

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10202017462D

 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> (54)
54

>  <Formula> (54)
C8H12N4O5

>  <MolWeight> (54)
244.20468

>  <Cat> (54)
S1782

>  <Name> (54)
Azacitidine (Vidaza)

>  <Synonyms> (54)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (54)
DNA/RNA Synthesis

>  <Form> (54)
Free Base

>  <CAS> (54)
320-67-2

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

$$$$
VUMON (teniposide).cdx
csChFnd80/10202017462D

 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
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  8  9  1  0  0  0  0
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 10  3  1  0  0  0  0
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 13 20  1  0  0  0  0
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 24  9  1  0  0  0  0
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>  <Mol_ID> (55)
55

>  <Formula> (55)
C32H32O13S

>  <MolWeight> (55)
656.65368

>  <Cat> (55)
S1787

>  <Name> (55)
Teniposide (Vumon)

>  <Synonyms> (55)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (55)
Topoisomerase

>  <Form> (55)
Free Base

>  <CAS> (55)
29767-20-2

>  <URL> (55)
http://www.selleckchem.com/products/Teniposide(Vumon).html

$$$$
Baricitinib.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (56)
56

>  <Formula> (56)
C16H17N7O2S

>  <MolWeight> (56)
371.41688

>  <Cat> (56)
S2851

>  <Name> (56)
Baricitinib (LY3009104)

>  <Synonyms> (56)
INCB 28050

>  <Target> (56)
JAK

>  <Form> (56)
Free Base

>  <CAS> (56)
1187594-09-7

>  <URL> (56)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C4H12ClN5

>  <MolWeight> (57)
165.62458

>  <Cat> (57)
S1950

>  <Name> (57)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (57)
Glucophage, Riomet, Diabex

>  <Target> (57)
Others

>  <Form> (57)
Hydrochloride

>  <CAS> (57)
1115-70-4

>  <URL> (57)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
PCI-34051.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C17H16N2O3

>  <MolWeight> (58)
296.32054

>  <Cat> (58)
S2012

>  <Name> (58)
PCI-34051

>  <Synonyms> (58)
N/A

>  <Target> (58)
HDAC 

>  <Form> (58)
Free Base

>  <CAS> (58)
950762-95-5

>  <URL> (58)
http://www.selleckchem.com/products/pci-34051.html

$$$$
RG108.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C19H14N2O4

>  <MolWeight> (59)
334.32546

>  <Cat> (59)
S2821

>  <Name> (59)
RG108

>  <Synonyms> (59)
N/A 

>  <Target> (59)
Transferases

>  <Form> (59)
Free Base

>  <CAS> (59)
48208-26-0

>  <URL> (59)
http://www.selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/10202017462D

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CUDC-907

>  <Synonyms> (60)
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>  <Target> (60)
HDAC, PI3K

>  <Form> (60)
Free Base

>  <CAS> (60)
1339928-25-4

>  <URL> (60)
http://www.selleckchem.com/products/cudc-907.html

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N/A 

>  <Target> (61)
c-Met, FGFR, PDGFR

>  <Form> (61)
Free Base

>  <CAS> (61)
917879-39-1

>  <URL> (61)
http://www.selleckchem.com/products/mk-2461.html

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62

>  <Formula> (62)
C16H25N3O3

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M344

>  <Synonyms> (62)
N/A 

>  <Target> (62)
HDAC

>  <Form> (62)
Free Base

>  <CAS> (62)
251456-60-7 

>  <URL> (62)
http://www.selleckchem.com/products/m344.html

$$$$
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EGFR, HER2

>  <Form> (63)
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>  <CAS> (63)
871026-44-7

>  <URL> (63)
http://www.selleckchem.com/products/tak-285.html

$$$$
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JAK

>  <Form> (64)
Free Base

>  <CAS> (64)
477600-75-2

>  <URL> (64)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
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425637-18-9

>  <URL> (67)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

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410536-97-9

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

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HDAC

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Free Base

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112522-64-2

>  <URL> (70)
http://www.selleckchem.com/products/ci994-tacedinaline.html

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Quercetin.cdx
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71

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C15H10O7

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Quercetin (Sophoretin)

>  <Synonyms> (71)
Meletin, Quercetine

>  <Target> (71)
PI3K, PKC, Src, Sirtuin

>  <Form> (71)
Free Base

>  <CAS> (71)
117-39-5

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

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KW2449.cdx
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72

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C20H20N4O

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KW 2449

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N/A

>  <Target> (72)
Flt, Bcr-Abl, Aurora Kinase

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Free Base

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

>  <URL> (72)
http://www.selleckchem.com/products/KW-2449.html

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73

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ITF2357 (Givinostat)

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N/A 

>  <Target> (73)
HDAC 

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Chloride

>  <CAS> (73)
732302-99-7

>  <URL> (73)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

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   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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  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
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 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> (79)
79

>  <Formula> (79)
C25H23F3N4O2

>  <MolWeight> (79)
468.4709296

>  <Cat> (79)
S2216

>  <Name> (79)
Mubritinib (TAK 165)

>  <Synonyms> (79)
TAK 165, TAK165

>  <Target> (79)
HER2

>  <Form> (79)
Free Base

>  <CAS> (79)
366017-09-6

>  <URL> (79)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
CYT 387.cdx
csChFnd80/10202017462D

 31 34  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
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5709    5.6000    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
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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
  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
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  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
 18 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
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  3  0  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C23H22N6O2

>  <MolWeight> (80)
414.45978

>  <Cat> (80)
S2219

>  <Name> (80)
Momelotinib (CYT387)

>  <Synonyms> (80)
CYT 11387 

>  <Target> (80)
JAK 

>  <Form> (80)
Free Base

>  <CAS> (80)
1056634-68-4

>  <URL> (80)
http://www.selleckchem.com/products/Cyt387.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10202017462D

 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> (81)
81

>  <Formula> (81)
C22H18O11

>  <MolWeight> (81)
458.37172

>  <Cat> (81)
S2250

>  <Name> (81)
(-)-Epigallocatechin gallate

>  <Synonyms> (81)
EGCG

>  <Target> (81)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (81)
Free Base

>  <CAS> (81)
989-51-5

>  <URL> (81)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10202017462D

 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> (82)
82

>  <Formula> (82)
C20H18ClNO4

>  <MolWeight> (82)
371.81422

>  <Cat> (82)
S2271

>  <Name> (82)
Berberine chloride

>  <Synonyms> (82)
N/A

>  <Target> (82)
Antifection

>  <Form> (82)
chloride

>  <CAS> (82)
633-65-8

>  <URL> (82)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Chlorogenic acid.cdx
csChFnd80/10202017462D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (83)
83

>  <Formula> (83)
C16H18O9

>  <MolWeight> (83)
354.30872

>  <Cat> (83)
S2280

>  <Name> (83)
Chlorogenic acid

>  <Synonyms> (83)
N/A

>  <Target> (83)
Others

>  <Form> (83)
Free Base

>  <CAS> (83)
327-97-9

>  <URL> (83)
http://www.selleckchem.com/products/Chlorogenic-acid.html

$$$$
Fisetin.cdx
csChFnd80/10202017462D

 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> (84)
84

>  <Formula> (84)
C15H10O6

>  <MolWeight> (84)
286.2363

>  <Cat> (84)
S2298

>  <Name> (84)
Fisetin (Fustel)

>  <Synonyms> (84)
Fustel, Viset

>  <Target> (84)
Sirtuin

>  <Form> (84)
Free Base

>  <CAS> (84)
528-48-3

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

$$$$
Myricitrin.cdx
csChFnd80/10202017462D

 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> (85)
85

>  <Formula> (85)
C21H20O12

>  <MolWeight> (85)
464.3763

>  <Cat> (85)
S2327

>  <Name> (85)
Myricitrin (Myricitrine)

>  <Synonyms> (85)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (85)
PKC

>  <Form> (85)
Free Base

>  <CAS> (85)
17912-87-7

>  <URL> (85)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/10202017462D

 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> (86)
86

>  <Formula> (86)
C15H20O3

>  <MolWeight> (86)
248.3175

>  <Cat> (86)
S2341

>  <Name> (86)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (86)
N/A 

>  <Target> (86)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (86)
Free Base

>  <CAS> (86)
20554-84-1

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/10202017462D

 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> (87)
87

>  <Formula> (87)
C15H14O9

>  <MolWeight> (87)
338.26626

>  <Cat> (87)
S2347

>  <Name> (87)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (87)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (87)
Others

>  <Form> (87)
Dihydrate

>  <CAS> (87)
6151-25-3

>  <URL> (87)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/10202017462D

 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
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>  <Mol_ID> (88)
88

>  <Formula> (88)
C15H24O2

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>  <Name> (88)
Curcumol

>  <Synonyms> (88)
N/A

>  <Target> (88)
JAK

>  <Form> (88)
Free Base

>  <CAS> (88)
4871-97-0

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

$$$$
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csChFnd80/10202017462D

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M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C15H13N3O2S

>  <MolWeight> (89)
299.34762

>  <Cat> (89)
S2468

>  <Name> (89)
Fenbendazole (Panacur)

>  <Synonyms> (89)
 Panacur, Safe-Guard

>  <Target> (89)
Antifection

>  <Form> (89)
Free Base

>  <CAS> (89)
43210-67-9

>  <URL> (89)
http://www.selleckchem.com/products/Fenbendazole(Panacur).html

$$$$
PCI-32765.cdx
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>  <Mol_ID> (90)
90

>  <Formula> (90)
C25H24N6O2

>  <MolWeight> (90)
440.49706

>  <Cat> (90)
S2680

>  <Name> (90)
PCI-32765 (Ibrutinib)

>  <Synonyms> (90)
N/A

>  <Target> (90)
Src

>  <Form> (90)
Free Base

>  <CAS> (90)
936563-96-1

>  <URL> (90)
http://www.selleckchem.com/products/pci-32765.html

$$$$
TAK-901.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
C28H32N4O3S

>  <MolWeight> (91)
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>  <Cat> (91)
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>  <Name> (91)
TAK-901

>  <Synonyms> (91)
N/A

>  <Target> (91)
Aurora Kinase

>  <Form> (91)
Free Base

>  <CAS> (91)
934541-31-8

>  <URL> (91)
http://www.selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
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>  <Mol_ID> (92)
92

>  <Formula> (92)
C26H35N7O2S

>  <MolWeight> (92)
509.6668

>  <Cat> (92)
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>  <Name> (92)
TG101209

>  <Synonyms> (92)
N/A

>  <Target> (92)
Flt, JAK, c-RET

>  <Form> (92)
Free Base

>  <CAS> (92)
936091-14-4

>  <URL> (92)
http://www.selleckchem.com/products/tg101209.html

$$$$
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>  <Mol_ID> (93)
93

>  <Formula> (93)
C28H21N7OS

>  <MolWeight> (93)
503.57764

>  <Cat> (93)
S2719

>  <Name> (93)
AMG 900

>  <Synonyms> (93)
N/A

>  <Target> (93)
Aurora Kinase

>  <Form> (93)
Free Base

>  <CAS> (93)
945595-80-2

>  <URL> (93)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/10202017462D

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>  <Mol_ID> (94)
94

>  <Formula> (94)
C22H30Cl2N4O6

>  <MolWeight> (94)
517.4028

>  <Cat> (94)
S2485

>  <Name> (94)
Mitoxantrone 2HCl

>  <Synonyms> (94)
NSC-301739

>  <Target> (94)
Topoisomerase

>  <Form> (94)
Dihydrochloride

>  <CAS> (94)
70476-82-3

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

$$$$
CP-690550 citrate.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C22H28N6O8

>  <MolWeight> (95)
504.49312

>  <Cat> (95)
S5001

>  <Name> (95)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (95)
N/A 

>  <Target> (95)
JAK

>  <Form> (95)
Citrate

>  <CAS> (95)
540737-29-9

>  <URL> (95)
http://www.selleckchem.com/products/CP-690550.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10202017462D

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939791-38-5

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Diferuloylmethane, Natural Yellow 3, C.I. 75300 

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NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (100)
Free Base

>  <CAS> (100)
458-37-7

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

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AMPK

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Free Base

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844499-71-4

>  <URL> (101)
http://www.selleckchem.com/products/a-769662.html

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Aurora Kinase

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Free Base

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942918-07-2

>  <URL> (102)
http://www.selleckchem.com/products/gsk1070916.html

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M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C24H26N2O4

>  <MolWeight> (104)
406.47424

>  <Cat> (104)
S1831

>  <Name> (104)
Carvedilol

>  <Synonyms> (104)
Coreg, Dilatrend

>  <Target> (104)
Adrenergic Receptor

>  <Form> (104)
Free Base

>  <CAS> (104)
72956-09-3

>  <URL> (104)
http://www.selleckchem.com/products/carvedilol.html

$$$$
MK-5108.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C22H21ClFN3O3S

>  <MolWeight> (105)
461.9368432

>  <Cat> (105)
S2770

>  <Name> (105)
MK-5108 (VX-689)

>  <Synonyms> (105)
N/A 

>  <Target> (105)
Aurora Kinase

>  <Form> (105)
Free Base

>  <CAS> (105)
1010085-13-8

>  <URL> (105)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10202017462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
106

>  <Formula> (106)
C20H22ClN3O2

>  <MolWeight> (106)
371.86058

>  <Cat> (106)
S2627

>  <Name> (106)
Tubastatin A hydrochloride

>  <Synonyms> (106)
N/A

>  <Target> (106)
HDAC

>  <Form> (106)
Hydrochloride

>  <CAS> (106)
1310693-92-5

>  <URL> (106)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
Paeoniflorin.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C23H28O11

>  <MolWeight> (107)
480.46182

>  <Cat> (107)
S2410

>  <Name> (107)
Paeoniflorin

>  <Synonyms> (107)
N/A

>  <Target> (107)
Others

>  <Form> (107)
Free Base

>  <CAS> (107)
23180-57-6 

>  <URL> (107)
http://www.selleckchem.com/products/paeoniflorin.html

$$$$
Entacapone.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (108)
108

>  <Formula> (108)
C14H15N3O5

>  <MolWeight> (108)
305.286

>  <Cat> (108)
S3147

>  <Name> (108)
Entacapone

>  <Synonyms> (108)
N/A 

>  <Target> (108)
Histone Methyltransferase

>  <Form> (108)
Free Base

>  <CAS> (108)
130929-57-6

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

$$$$
WHI-P154.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (109)
109

>  <Formula> (109)
C16H14BrN3O3

>  <MolWeight> (109)
376.20466

>  <Cat> (109)
S2867

>  <Name> (109)
WHI-P154

>  <Synonyms> (109)
N/A

>  <Target> (109)
JAK, EGFR

>  <Form> (109)
Free Base

>  <CAS> (109)
211555-04-3

>  <URL> (109)
http://www.selleckchem.com/products/whi-p154.html

$$$$
PF-562271.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (110)
110

>  <Formula> (110)
C21H20F3N7O3S

>  <MolWeight> (110)
507.4888096

>  <Cat> (110)
S2890

>  <Name> (110)
PF-562271

>  <Synonyms> (110)
N/A

>  <Form> (110)
Free Base

>  <CAS> (110)
717907-75-0

>  <URL> (110)
http://www.selleckchem.com/products/pf-562271.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (111)
111

>  <Formula> (111)
C17H18N6

>  <MolWeight> (111)
306.36502

>  <Cat> (111)
S2902

>  <Name> (111)
S-Ruxolitinib

>  <Synonyms> (111)
N/A

>  <Target> (111)
JAK

>  <Form> (111)
Free Base

>  <CAS> (111)
941685-37-6

>  <URL> (111)
http://www.selleckchem.com/products/s-ruxolitinib.html

$$$$
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>  <Mol_ID> (112)
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>  <Formula> (112)
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>  <MolWeight> (112)
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>  <Cat> (112)
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>  <Name> (112)
Go 6983

>  <Synonyms> (112)
N/A

>  <Target> (112)
PKC

>  <Form> (112)
Free Base

>  <CAS> (112)
133053-19-7

>  <URL> (112)
http://www.selleckchem.com/products/go-6983.html

$$$$
IOX2.cdx
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>  <Formula> (113)
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HIF

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Free Base

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931398-72-0

>  <URL> (113)
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>  <Formula> (114)
C10H13FN2O5

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Clevudine (Levovir)

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N/A

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Others

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Free Base

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163252-36-6

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

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C9H14N4O5

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AMPK

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Free Base

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2627-69-2

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

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116

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C16H17N3O4S

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S1216

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PFI-1(PF-6405761) 

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PF-06405761

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Epigenetic Reader Domain

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Free Base

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1403764-72-6

>  <URL> (116)
http://www.selleckchem.com/products/pfl-1.html

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csChFnd80/10202017462D

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C9H8N2OS2

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SC-514 

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N/A

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I¦ÊB/IKK

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Free Base

>  <CAS> (117)
354812-17-2

>  <URL> (117)
http://www.selleckchem.com/products/sc-514.html

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   14.5408    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   10.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943   11.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8152   12.5711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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  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  6  0  0  0
  3  9  1  6  0  0  0
  2 10  1  6  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
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 16 11  1  0  0  0  0
  7 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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 18 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 19  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 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
 26 41  1  0  0  0  0
 23 42  1  0  0  0  0
 30 43  2  0  0  0  0
 27 44  2  0  0  0  0
 31 45  1  0  0  0  0
 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C32H37NO12

>  <MolWeight> (118)
627.63568

>  <Cat> (118)
S1393

>  <Name> (118)
Pirarubicin

>  <Synonyms> (118)
N/A

>  <Target> (118)
Topoisomerase

>  <Form> (118)
Free Base

>  <CAS> (118)
72496-41-4

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

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10202017462D

 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> (119)
119

>  <Formula> (119)
C10H11NaO2

>  <MolWeight> (119)
186.18291

>  <Cat> (119)
S4125

>  <Name> (119)
Sodium Phenylbutyrate

>  <Synonyms> (119)
N/A

>  <Target> (119)
HDAC

>  <Form> (119)
Sodium Salt

>  <CAS> (119)
1716-12-7

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

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10202017462D

 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
    2.4249    6.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.7325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.9228    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
  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
 16 17  1  0  0  0  0
 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> (120)
120

>  <Formula> (120)
C16H19N3O4S

>  <MolWeight> (120)
349.40476

>  <Cat> (120)
S2693

>  <Name> (120)
Resminostat (RAS2410)

>  <Synonyms> (120)
4SC-201, BYK408740

>  <Target> (120)
HDAC

>  <Form> (120)
Free Base

>  <CAS> (120)
864814-88-0

>  <URL> (120)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/10202017462D

 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> (121)
121

>  <Formula> (121)
C9H12ClNR

>  <MolWeight> (121)
169.65128

>  <Cat> (121)
S4246

>  <Name> (121)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (121)
N/A

>  <Target> (121)
MAO

>  <Form> (121)
Hydrochloride

>  <CAS> (121)
4548-34-9

>  <URL> (121)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Flufenamic acid.cdx
csChFnd80/10202017462D

 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> (122)
122

>  <Formula> (122)
C14H10F3NO2

>  <MolWeight> (122)
281.2299096

>  <Cat> (122)
S4268

>  <Name> (122)
Flufenamic acid

>  <Synonyms> (122)
N/A

>  <Target> (122)
COX

>  <Form> (122)
Free Base

>  <CAS> (122)
530-78-9

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

$$$$
Tenovin-6 HCl.cdx
csChFnd80/10202017462D

 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
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C25H35ClN4O2S

>  <MolWeight> (123)
491.089

>  <Cat> (123)
S4900

>  <Name> (123)
Tenovin-6

>  <Synonyms> (123)
N/A

>  <Target> (123)
p53,Sirtuin

>  <Form> (123)
Free Base

>  <CAS> (123)
1011557-82-6

>  <URL> (123)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C13H22ClN3O

>  <MolWeight> (124)
271.78628

>  <Cat> (124)
S4294

>  <Name> (124)
Procainamide HCl

>  <Synonyms> (124)
N/A

>  <Target> (124)
Sodium Channel

>  <Form> (124)
Hydrochloride

>  <CAS> (124)
614-39-1

>  <URL> (124)
http://www.selleckchem.com/products/procainamide-hcl.html

$$$$
Daptomycin.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C72H101N17O26

>  <MolWeight> (125)
1620.67064

>  <Cat> (125)
S1373

>  <Name> (125)
Daptomycin

>  <Synonyms> (125)
LY146032

>  <Target> (125)
Others

>  <Form> (125)
Free Base

>  <CAS> (125)
103060-53-3

>  <URL> (125)
http://www.selleckchem.com/products/Daptomycin.html

$$$$
R-Ruxolitinib.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C17H18N6

>  <MolWeight> (126)
306.36502

>  <Cat> (126)
S1378

>  <Name> (126)
Ruxolitinib (INCB018424)

>  <Synonyms> (126)
N/A

>  <Target> (126)
JAK

>  <Form> (126)
Free Base

>  <CAS> (126)
941678-49-5

>  <URL> (126)
http://www.selleckchem.com/products/INCB18424.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C25H31N7O6

>  <MolWeight> (127)
525.55694

>  <Cat> (127)
S2018

>  <Name> (127)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (127)
N/A

>  <Target> (127)
FLT3

>  <Form> (127)
Free Base

>  <CAS> (127)
1291074-87-7

>  <URL> (127)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (128)
128

>  <Formula> (128)
C21H28Cl2N6O2

>  <MolWeight> (128)
467.39202

>  <Cat> (128)
S1096

>  <Name> (128)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (128)
N/A

>  <Target> (128)
HDAC

>  <Form> (128)
Dihydrochloride

>  <CAS> (128)
875320-31-3

>  <URL> (128)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
Danthron.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (129)
129

>  <Formula> (129)
C14H8O4

>  <MolWeight> (129)
240.21092

>  <Cat> (129)
S4561

>  <Name> (129)
Danthron

>  <Synonyms> (129)
chrysazin, Antrapurol

>  <Target> (129)
Others

>  <Form> (129)
Free Base

>  <CAS> (129)
117-10-2

>  <URL> (129)
http://www.selleckchem.com/products/danthron.html

$$$$
Pantoprazole sodium.cdx
csChFnd80/10202017462D

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   13.8211    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5413    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066    4.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700    3.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C16H14F2N3NaO4S

>  <MolWeight> (130)
405.3516364

>  <Cat> (130)
S4538

>  <Name> (130)
Pantoprazole sodium

>  <Synonyms> (130)
SKF96022 sodium, BY-1023 sodium

>  <Target> (130)
Proton Pump

>  <Form> (130)
Free Base

>  <CAS> (130)
138786-67-1

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

$$$$

csChFnd80/10202017462D

 29 27  0  0  0  0  0  0  0  0999 V2000
   11.8884    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8884    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4462    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5326    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2322    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5356    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9602    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7732    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  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  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
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  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
 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> (131)
131

>  <Formula> (131)
C20H28Cl3N3O3

>  <MolWeight> (131)
464.81362

>  <Cat> (131)
S4589

>  <Name> (131)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (131)
N/A

>  <Target> (131)
Transferase,Histone

>  <Form> (131)
dihydrochloride dihydrate

>  <CAS> (131)
6398-98-7

>  <URL> (131)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10202017462D

 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
    3.9188    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5442    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.7064    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.3603    1.0706    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.1832    2.6748    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  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
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 12 19  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C21H22ClNR

>  <MolWeight> (132)
323.85908

>  <Cat> (132)
S4635

>  <Name> (132)
Cyproheptadine hydrochloride

>  <Synonyms> (132)
Periactin hydrochloride, Peritol

>  <Target> (132)
5-HT Receptor

>  <Form> (132)
Hydrochloride Sesquihydrate

>  <CAS> (132)
41354-29-4

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

$$$$
S4609 Diflunisal.cdx
csChFnd80/10202017462D

 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
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 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> (133)
133

>  <Formula> (133)
C13H8F2O3

>  <MolWeight> (133)
250.1976264

>  <Cat> (133)
S4609

>  <Name> (133)
Diflunisal

>  <Synonyms> (133)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (133)
COX

>  <Form> (133)
Free Base

>  <CAS> (133)
22494-42-4

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

$$$$
S4715 Benzamide.cdx
csChFnd80/10202017462D

  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> (134)
134

>  <Formula> (134)
C7H7NO

>  <MolWeight> (134)
121.13658

>  <Cat> (134)
S4715

>  <Name> (134)
Benzamide

>  <Synonyms> (134)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (134)
Others

>  <Form> (134)
Free Base

>  <CAS> (134)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/10202017462D

  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> (135)
135

>  <Formula> (135)
C6H6N2O

>  <MolWeight> (135)
122.12464

>  <Cat> (135)
S4710

>  <Name> (135)
Picolinamide

>  <Synonyms> (135)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (135)
PARP

>  <Form> (135)
Free Base

>  <CAS> (135)
1452-77-3

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

$$$$
MK4827.cdx
csChFnd80/10202017462D

 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
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    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> (136)
136

>  <Formula> (136)
C19H20N4O

>  <MolWeight> (136)
320.3883

>  <Cat> (136)
S2741

>  <Name> (136)
MK-4827(Niraparib)

>  <Synonyms> (136)
N/A

>  <Target> (136)
PARP

>  <Form> (136)
Free Base

>  <CAS> (136)
1038915-60-4

>  <URL> (136)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10202017462D

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.9455    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    3.9469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7306    5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015    5.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4990    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2033    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2082    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5410    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5096    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5927    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9119    7.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2894    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3514    8.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9134    9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    7.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7092    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860    9.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   10.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8594   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2586   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5667   10.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7261   12.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  1  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 32 25  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  1  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  2  0  0  0  0
 40 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C36H30O16

>  <MolWeight> (137)
718.6138

>  <Cat> (137)
S4735

>  <Name> (137)
Salvianolic acid B

>  <Synonyms> (137)
Lithospermate B

>  <Target> (137)
Others

>  <Form> (137)
Free Base

>  <CAS> (137)
121521-90-2

>  <URL> (137)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10202017462D

 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> (138)
138

>  <Formula> (138)
C11H8O3

>  <MolWeight> (138)
188.17942

>  <Cat> (138)
S3661

>  <Name> (138)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (138)
N/A

>  <Target> (138)
PKC

>  <Form> (138)
free base

>  <CAS> (138)
2348-82-5

>  <URL> (138)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/10202017462D

 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> (139)
139

>  <Formula> (139)
C6H14ClNO5

>  <MolWeight> (139)
215.63206

>  <Cat> (139)
S3694

>  <Name> (139)
Glucosamine hydrochloride

>  <Synonyms> (139)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (139)
Others

>  <Form> (139)
hydrochloride

>  <CAS> (139)
66-84-2

>  <URL> (139)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/10202017462D

 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> (140)
140

>  <Formula> (140)
C11H12O5

>  <MolWeight> (140)
224.20998

>  <Cat> (140)
S3981

>  <Name> (140)
Sinapinic Acid

>  <Synonyms> (140)
Sinapic acid

>  <Target> (140)
Others

>  <Form> (140)
free base

>  <CAS> (140)
530-59-6

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10202017462D

 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
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  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C18H22O4

>  <MolWeight> (141)
302.36488

>  <Cat> (141)
S3984

>  <Name> (141)
Nordihydroguaiaretic acid

>  <Synonyms> (141)
N/A

>  <Target> (141)
lipoxygenase

>  <Form> (141)
free base

>  <CAS> (141)
500-38-9

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

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 15  3  1  0  0  0  0
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 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C19H20O5

>  <MolWeight> (142)
328.3591

>  <Cat> (142)
S3819

>  <Name> (142)
Decursinol angelate

>  <Synonyms> (142)
N/A

>  <Target> (142)
PKC

>  <Form> (142)
free base

>  <CAS> (142)
130848-06-5

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

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10202017462D

 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
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    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C17H26O4

>  <MolWeight> (143)
294.38594

>  <Cat> (143)
S3836

>  <Name> (143)
6-Gingerol

>  <Synonyms> (143)
CI-1011

>  <Target> (143)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (143)
free base

>  <CAS> (143)
23513-14-6

>  <URL> (143)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/10202017462D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C40H58O4

>  <MolWeight> (144)
602.88612

>  <Cat> (144)
S3957

>  <Name> (144)
Gamma-Oryzanol

>  <Synonyms> (144)
N/A

>  <Target> (144)
Others

>  <Form> (144)
free base

>  <CAS> (144)
11042-64-1

>  <URL> (144)
http://www.selleckchem.com/products/gamma-oryzanol.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10202017462D

 30 32  0  0  0  0  0  0  0  0999 V2000
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15291-76-6

>  <URL> (146)
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HDAC

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287383-59-9

>  <URL> (147)
https://www.selleckchem.com/products/scriptaid.html

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172889-27-9

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Histone Methyltransferase

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1338466-77-5

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    6.0622    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
    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
    9.6995    9.1000    0.0000 F   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
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  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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  9 11  1  0  0  0  0
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 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
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 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
 22 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  2  0  0  0  0
 27 29  1  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
 32 33  2  0  0  0  0
 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C27H31FN4O2

>  <MolWeight> (150)
462.5590432

>  <Cat> (150)
S7185

>  <Name> (150)
AGI-5198

>  <Synonyms> (150)
IDH-C35

>  <Target> (150)
Dehydrogenase

>  <Form> (150)
Free Base

>  <CAS> (150)
1355326-35-0

>  <URL> (150)
http://www.selleckchem.com/products/agi-5198.html

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10202017462D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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> (151)
151

>  <Formula> (151)
C20H16N2O5

>  <MolWeight> (151)
364.35144

>  <Cat> (151)
S3898

>  <Name> (151)
Hydroxy Camptothecine

>  <Synonyms> (151)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (151)
DNA topoisomerase I

>  <Form> (151)
free base

>  <CAS> (151)
64439-81-2

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

$$$$
S4800 Daminozide.cdx
csChFnd80/10202017462D

 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
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  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> (152)
152

>  <Formula> (152)
C6H12N2O3

>  <MolWeight> (152)
160.17108

>  <Cat> (152)
S4800

>  <Name> (152)
Daminozide

>  <Synonyms> (152)
Aminozide, Succinic Acid

>  <Target> (152)
PHF8,KDM2A 

>  <Form> (152)
free base

>  <CAS> (152)
1596-84-5

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

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/10202017462D

 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> (153)
153

>  <Formula> (153)
C10H12O2

>  <MolWeight> (153)
164.20108

>  <Cat> (153)
S4771

>  <Name> (153)
¦Â-thujaplicin

>  <Synonyms> (153)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (153)
Others

>  <Form> (153)
free base

>  <CAS> (153)
499-44-5

>  <URL> (153)
http://www.selleckchem.com/products/beta-thujaplicin.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10202017462D

 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
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   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 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
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 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> (154)
154

>  <Formula> (154)
C32H40O8

>  <MolWeight> (154)
552.6552

>  <Cat> (154)
S3832

>  <Name> (154)
Euphorbiasteroid

>  <Synonyms> (154)
Euphorbia factor L1

>  <Target> (154)
Others

>  <Form> (154)
free base

>  <CAS> (154)
28649-59-4

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10202017462D

 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> (155)
155

>  <Formula> (155)
C25H36Cl2N2O3

>  <MolWeight> (155)
483.47094

>  <Cat> (155)
S5020

>  <Name> (155)
Tilorone dihydrochloride

>  <Synonyms> (155)
N/A

>  <Target> (155)
Anti-infection

>  <Form> (155)
dihydrochloride 

>  <CAS> (155)
27591-69-1

>  <URL> (155)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
Sodium valproate.cdx
csChFnd80/10202017462D

 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
  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  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
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C8H15NaO2

>  <MolWeight> (156)
166.19327

>  <Cat> (156)
S1168

>  <Name> (156)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (156)
N/A 

>  <Target> (156)
GABA Receptor, HDAC

>  <CAS> (156)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10202017462D

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
   12.0991    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7364    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3854    0.0000 C   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    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
 10  8  1  1  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
 14 16  1  1  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
 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
 25 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C29H36O15

>  <MolWeight> (157)
624.58714

>  <Cat> (157)
S2323

>  <Name> (157)
Methyl-Hesperidin

>  <Form> (157)
free base

>  <CAS> (157)
 11013-97-1

$$$$
SNS-314 Mesylate.cdx
csChFnd80/10202017462D

 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
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    7.5316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    9.7845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    8.4262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    7.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    7.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    8.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    7.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    9.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536   10.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.1283    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5283    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C19H19ClN6O4S3

>  <MolWeight> (158)
527.03996

>  <Cat> (158)
S1154

>  <Name> (158)
SNS-314 Mesylate

>  <Synonyms> (158)
N/A

>  <Target> (158)
Aurora Kinase

>  <Form> (158)
Mesylate

>  <CAS> (158)
1146618-41-8

>  <URL> (158)
http://www.selleckchem.com/products/SNS-314.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/10202017462D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4641    2.6922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.5249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C24H28ClN5O2

>  <MolWeight> (164)
453.96442

>  <Cat> (164)
S7070

>  <Name> (164)
GSK J4 HCl

>  <Synonyms> (164)
N/A

>  <Target> (164)
Histone Demethylase

>  <Form> (164)
Hydrochloride

>  <CAS> (164)
1373423-53-0(free base)

>  <URL> (164)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/10202017462D

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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C9H12N2O5

>  <MolWeight> (165)
228.20198

>  <Cat> (165)
S7113

>  <Name> (165)
Zebularine

>  <Synonyms> (165)
N/A

>  <Target> (165)
DNA Methyltransferase

>  <Form> (165)
Free Base

>  <CAS> (165)
654065

>  <URL> (165)
https://www.selleckchem.com/products/zebularine.html

$$$$
AZD 2461.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C22H22FN3O3

>  <MolWeight> (166)
395.4267832

>  <Cat> (166)
S7029

>  <Name> (166)
AZD2461

>  <Synonyms> (166)
N/A

>  <Target> (166)
PARP

>  <Form> (166)
Free Base

>  <CAS> (166)
1174043-16-3

>  <URL> (166)
https://www.selleckchem.com/products/azd2461.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10202017462D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C9H12ClF2N3O4

>  <MolWeight> (167)
299.6590864

>  <Cat> (167)
S1149

>  <Name> (167)
Gemcitabine HCl (Gemzar)

>  <Synonyms> (167)
Gemzar

>  <Target> (167)
DNA/RNA Synthesis

>  <Form> (167)
Hydrochloride

>  <CAS> (167)
122111-03-9

>  <URL> (167)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
Carboplatin.cdx
csChFnd80/10202017462D

 13 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C6H12N2O4Pt

>  <MolWeight> (168)
371.24848

>  <Cat> (168)
S1215

>  <Name> (168)
Carboplatin

>  <Synonyms> (168)
Paraplatin

>  <Target> (168)
DNA/RNA Synthesis

>  <Form> (168)
Free Base

>  <CAS> (168)
41575-94-4

>  <URL> (168)
http://www.selleckchem.com/products/Carboplatin.html

$$$$
Camptothecine.cdx
csChFnd80/10202017462D

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   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
 12 19  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C20H16N2O4

>  <MolWeight> (169)
348.35204

>  <Cat> (169)
S1288

>  <Name> (169)
Camptothecin

>  <Synonyms> (169)
N/A

>  <Target> (169)
Topoisomerase

>  <Form> (169)
Free Base

>  <CAS> (169)
2114454

>  <URL> (169)
http://www.selleckchem.com/products/Camptothecine.html

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10202017462D

 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
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 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C16H18FN3O3

>  <MolWeight> (170)
319.3308232

>  <Cat> (170)
S1509

>  <Name> (170)
Norfloxacin (Norxacin)

>  <Synonyms> (170)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (170)
Others

>  <Form> (170)
Free Base

>  <CAS> (170)
70458-96-7

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

$$$$
CCT129202.cdx
csChFnd80/10202017462D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  1  0  0  0  0
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 25 20  1  0  0  0  0
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 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C23H25ClN8OS

>  <MolWeight> (171)
497.0156

>  <Cat> (171)
S1519

>  <Name> (171)
CCT129202

>  <Synonyms> (171)
N/A

>  <Target> (171)
Aurora Kinase

>  <Form> (171)
Free Base

>  <CAS> (171)
942947-93-5

>  <URL> (171)
http://www.selleckchem.com/products/CCT129202.html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10202017462D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 13  9  1  0  0  0  0
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 11 14  1  1  0  0  0
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 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C9H13N3O5

>  <MolWeight> (172)
243.21662

>  <Cat> (172)
S1648

>  <Name> (172)
Cytarabine

>  <Synonyms> (172)
N/A 

>  <Target> (172)
Others

>  <Form> (172)
Free Base

>  <CAS> (172)
147-94-4

>  <URL> (172)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
Sodium butyrate.cdx
csChFnd80/10202017462D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C4H7NaO2

>  <MolWeight> (173)
110.08695

>  <Cat> (173)
S1999

>  <Name> (173)
Sodium butyrate

>  <Synonyms> (173)
Butyric acid sodium salt

>  <Target> (173)
HDAC

>  <Form> (173)
Sodium Salt

>  <CAS> (173)
156-54-7

>  <URL> (173)
http://www.selleckchem.com/products/Sodium-butyrate.html

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10202017462D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C8H9ClN4

>  <MolWeight> (174)
196.63686

>  <Cat> (174)
S2562

>  <Name> (174)
Hydralazine hydrochloride

>  <Synonyms> (174)
Apresoline

>  <Target> (174)
Others

>  <Form> (174)
Hydrochloride

>  <CAS> (174)
304-20-1

>  <URL> (174)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10202017462D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C12H20ClN3O

>  <MolWeight> (175)
257.7597

>  <Cat> (175)
S1995

>  <Name> (175)
Procarbazine hydrochloride (Matulane)

>  <Synonyms> (175)
N/A 

>  <Target> (175)
DNA/RNA

>  <Form> (175)
Hydrochloride

>  <CAS> (175)
366-70-1

>  <URL> (175)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

$$$$
CCT137690.cdx
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>  <Mol_ID> (176)
176

>  <Formula> (176)
C26H31BrN8O

>  <MolWeight> (176)
551.48134

>  <Cat> (176)
S2744

>  <Name> (176)
CCT137690

>  <Synonyms> (176)
N/A

>  <Target> (176)
Aurora Kinase

>  <Form> (176)
Free Base

>  <CAS> (176)
1095382-05-0

>  <URL> (176)
http://www.selleckchem.com/products/cct137690.html

$$$$
CPI-169.cdx
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>  <Mol_ID> (177)
177

>  <Formula> (177)
C27H36N4O5S

>  <MolWeight> (177)
528.66354

>  <Cat> (177)
S7616

>  <Name> (177)
CPI-169

>  <Synonyms> (177)
N/A

>  <Target> (177)
Histone Methyltransferase

>  <Form> (177)
Free Base

>  <CAS> (177)
1450655-76-1

>  <URL> (177)
http://www.selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (178)
178

>  <Formula> (178)
C29H28N4O2

>  <MolWeight> (178)
464.55822

>  <Cat> (178)
S7843

>  <Name> (178)
BI-847325

>  <Synonyms> (178)
N/A

>  <Target> (178)
MEK

>  <Form> (178)
Free Base

>  <CAS> (178)
1207293-36-4

>  <URL> (178)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C21H14N2Na2O9S2

>  <MolWeight> (179)
548.4534

>  <Cat> (179)
S7884

>  <Name> (179)
AMI-1

>  <Synonyms> (179)
N/A

>  <Target> (179)
Histone Methyltransferase

>  <Form> (179)
disodium salt

>  <CAS> (179)
20324-87-2

>  <URL> (179)
http://www.selleckchem.com/products/ami-1.html

$$$$
G007-LK.cdx
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M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C25H16ClN7O3S

>  <MolWeight> (180)
529.95764

>  <Cat> (180)
S7239

>  <Name> (180)
G007-LK

>  <Synonyms> (180)
N/A

>  <Target> (180)
PARP

>  <Form> (180)
Free Base

>  <CAS> (180)
1380672-07-0

>  <URL> (180)
http://www.selleckchem.com/products/g007-lk.html

$$$$
GSK503.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (181)
181

>  <Formula> (181)
C31H38N6O2

>  <MolWeight> (181)
526.67242

>  <Cat> (181)
S7804

>  <Name> (181)
GSK503

>  <Synonyms> (181)
N/A

>  <Target> (181)
Histone Methyltransferase

>  <Form> (181)
Free Base

>  <CAS> (181)
1346572-63-1

>  <URL> (181)
http://www.selleckchem.com/products/gsk503.html

$$$$
Oltipraz.cdx
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>  <Mol_ID> (182)
182

>  <Formula> (182)
C8H6N2S3

>  <MolWeight> (182)
226.34164

>  <Cat> (182)
S7864

>  <Name> (182)
Oltipraz

>  <Synonyms> (182)
N/A

>  <Target> (182)
Nrf2

>  <Form> (182)
Free Base

>  <CAS> (182)
64224-21-1

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

$$$$
FLLL32.cdx
csChFnd80/10202017462D

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183

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FLLL32

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N/A

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JAK

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Free Base

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1226895-15-3

>  <URL> (183)
http://www.selleckchem.com/products/flll32.html

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C25H31N3O4

>  <MolWeight> (184)
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S7656

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CPI-360

>  <Synonyms> (184)
N/A

>  <Target> (184)
Histone Methyltransferase

>  <Form> (184)
Free Base

>  <CAS> (184)
1802175-06-9

>  <URL> (184)
http://www.selleckchem.com/products/cpi-360.html

$$$$
GSK2801.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C20H21NO4S

>  <MolWeight> (185)
371.45004

>  <Cat> (185)
S7231

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GSK2801

>  <Synonyms> (185)
N/A

>  <Target> (185)
Epigenetic Reader Domain

>  <Form> (185)
Free Base

>  <CAS> (185)
1619994-68-1

>  <URL> (185)
http://www.selleckchem.com/products/gsk2801.html

$$$$
SirReal2.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (186)
186

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C22H20N4OS2

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420.5504

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S7845

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SirReal2

>  <Synonyms> (186)
N/A

>  <Target> (186)
Sirtuin

>  <Form> (186)
Free Base

>  <CAS> (186)
709002-46-0

>  <URL> (186)
http://www.selleck.cn/products/sirreal2.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (187)
187

>  <Formula> (187)
C8H16O2

>  <MolWeight> (187)
144.21144

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S3944

>  <Name> (187)
Valproic acid

>  <Synonyms> (187)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (187)
HDAC1

>  <Form> (187)
free base

>  <CAS> (187)
99-66-1

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

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C54H83NaO23

>  <MolWeight> (188)
1123.21279

>  <Cat> (188)
S3770

>  <Name> (188)
Sodium Aescinate

>  <Synonyms> (188)
Escin sodium salt

>  <Target> (188)
Others

>  <Form> (188)
sodium salt

>  <CAS> (188)
20977-05-3

>  <URL> (188)
http://www.selleckchem.com/products/sodium-aescinate.html

$$$$
WT161.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C27H30N4O3

>  <MolWeight> (189)
458.5521

>  <Cat> (189)
S8495

>  <Name> (189)
WT161

>  <Synonyms> (189)
N/A

>  <Target> (189)
HDAC1,2,6

>  <Form> (189)
free base

>  <CAS> (189)
1206731-57-8

>  <URL> (189)
http://www.selleckchem.com/products/wt161.html

$$$$
Bromosporine.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C17H20N6O4S

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Bromosporine

>  <Synonyms> (190)
N/A

>  <Target> (190)
Epigenetic Reader Domain

>  <Form> (190)
Free Base

>  <URL> (190)
http://www.selleckchem.com/products/bromosporine.html

$$$$
192441-08-0.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (191)
191

>  <Formula> (191)
C10H8BrN5OS

>  <MolWeight> (191)
326.17242

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S8056

>  <Name> (191)
Lomeguatrib

>  <Synonyms> (191)
PaTrin-2

>  <Target> (191)
DNA Methyltransferase

>  <Form> (191)
Free Base

>  <CAS> (191)
192441-08-0

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

$$$$
EPZ005687.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (192)
192

>  <Formula> (192)
C32H37N5O3

>  <MolWeight> (192)
539.66788

>  <Cat> (192)
S7004

>  <Name> (192)
EPZ005687

>  <Synonyms> (192)
N/A

>  <Target> (192)
Histone Methyltransferase

>  <Form> (192)
Free Base

>  <CAS> (192)
1396772-26-1

>  <URL> (192)
http://www.selleckchem.com/products/epz005687.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (193)
193

>  <Formula> (193)
C22H22ClN5O2

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423.89538

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S7189

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I-BET-762

>  <Synonyms> (193)
GSK525762, GSK525762A

>  <Target> (193)
Epigenetic Reader Domain

>  <Form> (193)
Free Base

>  <CAS> (193)
1260907-17-2

>  <URL> (193)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (194)
194

>  <Formula> (194)
C16H10BrN3O2

>  <MolWeight> (194)
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>  <Cat> (194)
S7198

>  <Name> (194)
BIO

>  <Synonyms> (194)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (194)
GSK-3

>  <Form> (194)
Free Base

>  <CAS> (194)
667463-62-9

>  <URL> (194)
http://www.selleckchem.com/products/bio.html

$$$$
RGFP966.cdx
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  2  3  1  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
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
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  4 14  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C21H19FN4O

>  <MolWeight> (195)
362.4001632

>  <Cat> (195)
S7229

>  <Name> (195)
RGFP966

>  <Synonyms> (195)
N/A

>  <Target> (195)
HDAC

>  <Form> (195)
Free Base

>  <CAS> (195)
1396841-57-8

>  <URL> (195)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/10202017462D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  1  0  0  0  0
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  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C23H26ClNO

>  <MolWeight> (196)
367.91164

>  <Cat> (196)
S8004

>  <Name> (196)
ZM 39923 HCl

>  <Synonyms> (196)
N/A

>  <Target> (196)
JAK

>  <Form> (196)
HCl

>  <CAS> (196)
1021868-92-7

>  <URL> (196)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/10202017462D

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   15.6246    3.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 31 35  1  0  0  0  0
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 38 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C28H40BrN7O4

>  <MolWeight> (197)
618.5657

>  <Cat> (197)
S7079

>  <Name> (197)
SGC 0946

>  <Synonyms> (197)
N/A

>  <Target> (197)
Histone Methyltransferase

>  <Form> (197)
Free Base

>  <URL> (197)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C26H27N5O5S2

>  <MolWeight> (198)
553.65308

>  <Cat> (198)
S7207

>  <Name> (198)
Ro 31-8220 Mesylate

>  <Synonyms> (198)
Bisindolylmaleimide IX Mesylate

>  <Target> (198)
PKC

>  <Form> (198)
Mesylate

>  <CAS> (198)
138489-18-6

>  <URL> (198)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C27H23N7O

>  <MolWeight> (199)
461.51782

>  <Cat> (199)
S7276

>  <Name> (199)
SGI-1027

>  <Synonyms> (199)
DNA Methyltransferase Inhibitor II

>  <Target> (199)
DNA Methyltransferase

>  <Form> (199)
Free Base

>  <CAS> (199)
1020149-73-8

>  <URL> (199)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10202017462D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C24H27Cl2N5O

>  <MolWeight> (200)
472.41008

>  <Cat> (200)
S7306

>  <Name> (200)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (200)
BML-275,Compound C

>  <Target> (200)
AMPK

>  <Form> (200)
Dihydrochloride

>  <CAS> (200)
1219168-18-9

>  <URL> (200)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C34H44N4O4

>  <MolWeight> (201)
572.73756

>  <Cat> (201)
S7128

>  <Name> (201)
Tazemetostat (EPZ-6438)

>  <Synonyms> (201)
E7438

>  <Target> (201)
Histone Methyltransferase

>  <Form> (201)
Free Base

>  <CAS> (201)
1403254-99-8

>  <URL> (201)
http://www.selleckchem.com/products/epz-6438.html

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C20H22N2O5

>  <MolWeight> (202)
370.39908

>  <Cat> (202)
S7295

>  <Name> (202)
RVX-208(RVX-000222)

>  <Synonyms> (202)
RVX-000222

>  <Target> (202)
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>  <Form> (202)
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>  <CAS> (202)
1044870-39-4

>  <URL> (202)
http://www.selleckchem.com/products/rvx-208.html

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JAK

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945755-56-6

>  <URL> (203)
http://www.selleckchem.com/products/xl019.html

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TAK-632

>  <Synonyms> (204)
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>  <Target> (204)
Raf

>  <Form> (204)
Free Base

>  <CAS> (204)
1228591-30-7

>  <URL> (204)
http://www.selleckchem.com/products/tak-632.html

$$$$
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>  <Mol_ID> (205)
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Histone Methyltransferase

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1431612-23-5

>  <URL> (205)
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$$$$
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Histone demethylases

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Free Base

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199596-05-9

>  <URL> (206)
http://www.selleckchem.com/products/jib-04.html

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MM-102

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HMTase Inhibitor IX

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Histone Methyltransferase

>  <Form> (207)
Free Base

>  <CAS> (207)
1417329-24-8

>  <URL> (207)
http://www.selleckchem.com/products/mm-102.html

$$$$
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JAK

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937272-79-2

>  <URL> (208)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
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1215493-56-3

>  <URL> (209)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
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>  <Mol_ID> (210)
210

>  <Formula> (210)
C21H21ClF3N7O3S

>  <MolWeight> (210)
543.9497496

>  <Cat> (210)
S7357

>  <Name> (210)
PF-562271 HCl

>  <Synonyms> (210)
N/A

>  <Target> (210)
FAK

>  <Form> (210)
Hydrochloride

>  <URL> (210)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
WZ4003.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (211)
211

>  <Formula> (211)
C25H29ClN6O3

>  <MolWeight> (211)
496.98916

>  <Cat> (211)
S7317

>  <Name> (211)
WZ4003

>  <Synonyms> (211)
N/A

>  <Target> (211)
AMPK

>  <Form> (211)
Free Base

>  <CAS> (211)
1214265-58-3

>  <URL> (211)
http://www.selleckchem.com/products/wz4003.html

$$$$
SGC-CBP30.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (212)
212

>  <Formula> (212)
C28H33ClN4O3

>  <MolWeight> (212)
509.03962

>  <Cat> (212)
S7256

>  <Name> (212)
SGC-CBP30

>  <Synonyms> (212)
N/A

>  <Target> (212)
Epigenetic Reader Domain

>  <Form> (212)
Free Base

>  <URL> (212)
http://www.selleckchem.com/products/sgc-cbp30.html

$$$$
MK8745.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (213)
213

>  <Formula> (213)
C20H19ClFN5OS

>  <MolWeight> (213)
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>  <Cat> (213)
S7065

>  <Name> (213)
MK8745

>  <Synonyms> (213)
N/A

>  <Target> (213)
Aurora Kinase

>  <Form> (213)
Free Base

>  <CAS> (213)
885325-71-3

>  <URL> (213)
http://www.selleckchem.com/products/mk-8745.html

$$$$
LM-3229 ME 0328.cdx
csChFnd80/10202017462D

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1445251-22-8

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http://www.selleckchem.com/products/me0328.html

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1314241-44-5

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202590-98-5

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>  <Form> (217)
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>  <URL> (217)
http://www.selleckchem.com/products/nexturastat-a.html

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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C21H18F3N3O3S2

>  <MolWeight> (218)
481.5111296

>  <Cat> (218)
S7241

>  <Name> (218)
AGI-6780

>  <Synonyms> (218)
N/A

>  <Target> (218)
Dehydrogenase

>  <Form> (218)
Free Base 

>  <CAS> (218)
1432660-47-3

>  <URL> (218)
http://www.selleckchem.com/products/agi-6780.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (219)
219

>  <Formula> (219)
C6H9NO5

>  <MolWeight> (219)
175.13936

>  <Cat> (219)
S7483

>  <Name> (219)
DMOG

>  <Synonyms> (219)
Dimethyloxalylglycine

>  <Target> (219)
Hydroxylase

>  <Form> (219)
Free Base

>  <CAS> (219)
89464-63-1

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

$$$$
OG-L002.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C15H15NO

>  <MolWeight> (220)
225.2857

>  <Cat> (220)
S7237

>  <Name> (220)
OG-L002

>  <Synonyms> (220)
N/A

>  <Target> (220)
Histone demethylases

>  <Form> (220)
Free Base

>  <CAS> (220)
1357302-64-7

>  <URL> (220)
http://www.selleckchem.com/products/og-l002.html

$$$$
C646.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (221)
221

>  <Formula> (221)
C24H19N3O6

>  <MolWeight> (221)
445.42416

>  <Cat> (221)
S7152

>  <Name> (221)
C646

>  <Synonyms> (221)
N/A

>  <Target> (221)
Histone Acetyltransferase

>  <Form> (221)
Free Base

>  <CAS> (221)
328968-36-1

>  <URL> (221)
http://www.selleckchem.com/products/c646.html

$$$$
UNC1215.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (222)
222

>  <Formula> (222)
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>  <MolWeight> (222)
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>  <Cat> (222)
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UNC1215

>  <Synonyms> (222)
N/A

>  <Target> (222)
Epigenetic Reader Domain

>  <Form> (222)
Free Base

>  <CAS> (222)
1415800-43-9

>  <URL> (222)
http://www.selleckchem.com/products/nuc1215.html

$$$$
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M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C29H23N5O3S

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521.58962

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S7490

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WIKI4

>  <Synonyms> (223)
N/A

>  <Target> (223)
Wnt/beta-catenin

>  <Form> (223)
Free Base

>  <CAS> (223)
838818-26-1

>  <URL> (223)
http://www.selleckchem.com/products/wiki4.html

$$$$
IOX1.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C10H7NO3

>  <MolWeight> (224)
189.16748

>  <Cat> (224)
S7234

>  <Name> (224)
IOX1

>  <Synonyms> (224)
N/A

>  <Target> (224)
Histone demethylases

>  <Form> (224)
Free Base

>  <CAS> (224)
5852-78-8

>  <URL> (224)
http://www.selleckchem.com/products/iox1.html

$$$$
AZD1208.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C21H21N3O2S

>  <MolWeight> (225)
379.47534

>  <Cat> (225)
S7104

>  <Name> (225)
AZD1208

>  <Synonyms> (225)
N/A

>  <Target> (225)
Pim

>  <Form> (225)
Free Base

>  <CAS> (225)
1204144-28-4

>  <URL> (225)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/10202017462D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C26H25Cl2N3O3

>  <MolWeight> (226)
498.401

>  <Cat> (226)
S7041

>  <Name> (226)
CX-6258 HCl

>  <Synonyms> (226)
N/A

>  <Target> (226)
Pim

>  <Form> (226)
Hydrochloride

>  <CAS> (226)
1353859-00-3

>  <URL> (226)
http://www.selleckchem.com/products/CX-6258.html

$$$$
CPI203 .cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (227)
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1243583-85-8

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 12  4  1  0  0  0  0
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 15  2  1  0  0  0  0
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 19  9  1  0  0  0  0
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M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C24H18N4O

>  <MolWeight> (232)
378.42592

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Go6976

>  <Synonyms> (232)
N/A

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PKC

>  <Form> (232)
Free Base

>  <CAS> (232)
136194-77-9

>  <URL> (232)
http://www.selleckchem.com/products/go6976.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (233)
233

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C15H22N2O3

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Santacruzamate A (CAY10683)

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N/A

>  <Target> (233)
HDAC

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Free Base

>  <CAS> (233)
1477949-42-0

>  <URL> (233)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/10202017462D

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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C21H23N5O3S

>  <MolWeight> (234)
425.50402

>  <Cat> (234)
S7605

>  <Name> (234)
Filgotinib£¨GLPG0643)

>  <Synonyms> (234)
N/A

>  <Target> (234)
JAK

>  <Form> (234)
Free Base

>  <CAS> (234)
1206161-97-8

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

$$$$
PFI-3.cdx
csChFnd80/10202017462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C19H19N3O2

>  <MolWeight> (235)
321.37306

>  <Cat> (235)
S7315

>  <Name> (235)
PFI-3

>  <Synonyms> (235)
N/A

>  <Target> (235)
Epigenetic Reader Domain

>  <Form> (235)
Free Base

>  <URL> (235)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C20H17F3N2O4

>  <MolWeight> (236)
406.3551896

>  <Cat> (236)
S7617

>  <Name> (236)
Tasquinimod

>  <Synonyms> (236)
ABR-215050

>  <Target> (236)
HDAC

>  <Form> (236)
Free Base

>  <CAS> (236)
254964-60-8

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

$$$$
AGK 2.cdx
csChFnd80/10202017462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
  1 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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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C23H13Cl2N3O2

>  <MolWeight> (237)
434.27422

>  <Cat> (237)
S7577

>  <Name> (237)
AGK2

>  <Synonyms> (237)
N/A

>  <Target> (237)
Sirtuin

>  <Form> (237)
Free Base

>  <CAS> (237)
304896-28-4

>  <URL> (237)
http://www.selleckchem.com/products/agk2.html

$$$$
Anacardic Acid.cdx
csChFnd80/10202017462D

 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
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   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
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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
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C22H36O3

>  <MolWeight> (238)
348.51944

>  <Cat> (238)
S7582

>  <Name> (238)
Anacardic Acid

>  <Synonyms> (238)
6-pentadecylsalicylic Acid

>  <Target> (238)
Histone Acetyltransferase

>  <Form> (238)
Free Base

>  <CAS> (238)
16611-84-0

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

$$$$
Splitomicin.cdx
csChFnd80/10202017462D

 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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 10  5  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C13H10O2

>  <MolWeight> (239)
198.2173

>  <Cat> (239)
S7593

>  <Name> (239)
Splitomicin

>  <Synonyms> (239)
N/A

>  <Target> (239)
Sirtuin

>  <Form> (239)
Free Base

>  <CAS> (239)
1384339

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

$$$$
URMC-099.cdx
csChFnd80/10202017462D

 32 37  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C27H27N5

>  <MolWeight> (240)
421.53678

>  <Cat> (240)
S7343

>  <Name> (240)
URMC-099

>  <Synonyms> (240)
N/A

>  <Target> (240)
Others

>  <Form> (240)
Free Base

>  <CAS> (240)
1229582-33-5

>  <URL> (240)
http://www.selleckchem.com/products/urmc-099.html

$$$$
PFI-2.cdx
csChFnd80/10202017462D

 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
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   10.9119    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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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  5 12  1  0  0  0  0
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 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> (241)
241

>  <Formula> (241)
C23H25F4N3O3S

>  <MolWeight> (241)
499.5215128

>  <Cat> (241)
S7294

>  <Name> (241)
PFI-2 HCl

>  <Synonyms> (241)
N/A

>  <Target> (241)
Histone Methyltransferase

>  <Form> (241)
Hydrochloride

>  <CAS> (241)
1627676-59-8

>  <URL> (241)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/10202017462D

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    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
  7  8  2  0  0  0  0
  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
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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  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> (242)
242

>  <Formula> (242)
C18H25N5S2

>  <MolWeight> (242)
375.5546

>  <Cat> (242)
S7619

>  <Name> (242)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (242)
N/A

>  <Target> (242)
Histone Methyltransferase

>  <Form> (242)
Free Base

>  <CAS> (242)
1271738-59-0

>  <URL> (242)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Remodelin.cdx
csChFnd80/10202017462D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    2.6996    4.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C15H15BrN4S

>  <MolWeight> (243)
363.2754

>  <Cat> (243)
S7641

>  <Name> (243)
Remodelin

>  <Synonyms> (243)
N/A

>  <Target> (243)
Histone Acetyltransferase

>  <Form> (243)
hydrochloride salt

>  <CAS> (243)
1622921-15-6

>  <URL> (243)
http://www.selleckchem.com/products/remodelin.html

$$$$
G-749.cdx
csChFnd80/10202017462D

 34 38  0  0  0  0  0  0  0  0999 V2000
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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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 10  6  1  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
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
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 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
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 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C25H25BrN6O2

>  <MolWeight> (244)
521.409

>  <Cat> (244)
S7545

>  <Name> (244)
G-749

>  <Synonyms> (244)
N/A

>  <Target> (244)
FLT3

>  <Form> (244)
Free Base

>  <CAS> (244)
1457983-28-6

>  <URL> (244)
http://www.selleckchem.com/products/g-749.html

$$$$
Nedaplatin.cdx
csChFnd80/10202017462D
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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (245)
269.11348

>  <Cat> (245)
S1826

>  <Name> (245)
Nedaplatin

>  <Synonyms> (245)
N/A

>  <Target> (245)
DNA/RNA Synthesis

>  <Form> (245)
Free Base

>  <CAS> (245)
95734-82-0

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

$$$$
GF 109203X(G 6850).cdx
csChFnd80/10202017462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (246)
246

>  <Formula> (246)
C25H24N4O2

>  <MolWeight> (246)
412.48366

>  <Cat> (246)
S7208

>  <Name> (246)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (246)
GO 6850

>  <Target> (246)
PKC

>  <Form> (246)
Free Base

>  <CAS> (246)
133052-90-1

>  <URL> (246)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (247)
247

>  <Formula> (247)
C17H18ClN3O2

>  <MolWeight> (247)
331.79672

>  <Cat> (247)
S7300

>  <Name> (247)
PJ34 hcl

>  <Synonyms> (247)
N/A

>  <Target> (247)
PARP

>  <Form> (247)
Hydrochloride

>  <CAS> (247)
344458-15-7

>  <URL> (247)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C20H28ClN7O3S

>  <MolWeight> (248)
481.99942

>  <Cat> (248)
S7634

>  <Name> (248)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (248)
N/A

>  <Target> (248)
JAK

>  <Form> (248)
Hydrochloride

>  <CAS> (248)
1369761-01-2

>  <URL> (248)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C18H25N5S2

>  <MolWeight> (249)
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>  <Cat> (249)
S7618

>  <Name> (249)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (249)
N/A

>  <Target> (249)
Histone Methyltransferase

>  <Form> (249)
Free Base

>  <CAS> (249)
1271738-62-5

>  <URL> (249)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (250)
250

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>  <Cat> (250)
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SP2509

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N/A

>  <Target> (250)
Histone Demethylase

>  <Form> (250)
Free Base

>  <CAS> (250)
1423715-09-6

>  <URL> (250)
http://www.selleckchem.com/products/sp2509.html

$$$$
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N/A

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Epigenetic Reader Domain

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Free Base

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1300031-52-0

>  <URL> (251)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

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EI1

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N/A

>  <Target> (252)
Histone Methyltransferase

>  <Form> (252)
Free Base

>  <CAS> (252)
1418308-27-6

>  <URL> (252)
http://www.selleckchem.com/products/ei1.html

$$$$
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N/A

>  <Target> (253)
Histone Methyltransferase

>  <Form> (253)
Free Base

>  <CAS> (253)
1374601-40-7

>  <URL> (253)
http://www.selleckchem.com/products/brd4770.html

$$$$
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254

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PX-478 2HCl

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HIF

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>  <CAS> (254)
685898-44-6

>  <URL> (254)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
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 30 22  1  0  0  0  0
M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C23H35N5O2

>  <MolWeight> (264)
413.5563

>  <Cat> (264)
S7570

>  <Name> (264)
UNC0379

>  <Synonyms> (264)
N/A

>  <Target> (264)
Histone Methyltransferase

>  <Form> (264)
Free Base

>  <CAS> (264)
1620401-82-2

>  <URL> (264)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C14H22Cl2N2

>  <MolWeight> (265)
289.24388

>  <Cat> (265)
S7574

>  <Name> (265)
GSK-LSD1 2HCl

>  <Synonyms> (265)
N/A

>  <Target> (265)
Histone Demethylase

>  <Form> (265)
Dihydrochloride

>  <CAS> (265)
1431368-48-7

>  <URL> (265)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/10202017462D

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 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C31H38N6O2

>  <MolWeight> (266)
526.67242

>  <Cat> (266)
S7061

>  <Name> (266)
GSK126

>  <Synonyms> (266)
N/A

>  <Target> (266)
Histone Methyltransferase

>  <Form> (266)
Free Base

>  <CAS> (266)
1346574-57-9

>  <URL> (266)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C20H25N5O3

>  <MolWeight> (267)
383.4442

>  <Cat> (267)
S7748

>  <Name> (267)
EPZ015666

>  <Synonyms> (267)
N/A

>  <Target> (267)
Histone Methyltransferase

>  <Form> (267)
Free Base

>  <CAS> (267)
1616391-65-1

>  <URL> (267)
http://www.selleckchem.com/products/epz015666.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (268)
268

>  <Formula> (268)
C26H24N6O2S2

>  <MolWeight> (268)
516.63776

>  <Cat> (268)
S7792

>  <Name> (268)
SRT2104 (GSK2245840)

>  <Synonyms> (268)
N/A

>  <Target> (268)
Sirtuin

>  <Form> (268)
Free Base

>  <CAS> (268)
1093403-33-8

>  <URL> (268)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

$$$$
BRD73954.cdx
csChFnd80/10202017462D

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273

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C22H23N5O2

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S7581

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GSK J1

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N/A

>  <Target> (273)
Histone Demethylase

>  <Form> (273)
Free Base

>  <CAS> (273)
1373422-53-7

>  <URL> (273)
http://www.selleckchem.com/products/gsk-j1.html

$$$$
BG45.cdx
csChFnd80/10202017462D

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BG45

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N/A

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HDAC

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Free Base

>  <CAS> (274)
926259-99-6

>  <URL> (274)
http://www.selleckchem.com/products/bg45.html

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HTH-01-015.cdx
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275

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C26H28N8O

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468.55352

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S7318

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HTH-01-015

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N/A

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AMPK

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Free Base

>  <CAS> (275)
1613724-42-7

>  <URL> (275)
http://www.selleckchem.com/products/hth-01-015.html

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Dorsomorphin.cdx
csChFnd80/10202017462D

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276

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C24H25N5O

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AMPK

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Free Base

>  <CAS> (276)
866405-64-3

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

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KC7F2

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N/A

>  <Target> (277)
HIF

>  <Form> (277)
Free Base

>  <CAS> (277)
927822-86-4

>  <URL> (277)
http://www.selleckchem.com/products/kc7f2.html

$$$$
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>  <Mol_ID> (278)
278

>  <Formula> (278)
C21H24N4O3

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>  <Cat> (278)
S7906

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PFI-4

>  <Synonyms> (278)
N/A

>  <Target> (278)
Epigenetic Reader Domain

>  <Form> (278)
Free Base

>  <CAS> (278)
900305-37-5

>  <URL> (278)
http://www.selleckchem.com/products/pfi-4.html

$$$$
ASP015K.cdx
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279

>  <Formula> (279)
C18H22N4O2

>  <MolWeight> (279)
326.39288

>  <Cat> (279)
S7650

>  <Name> (279)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (279)
N/A

>  <Target> (279)
JAK

>  <Form> (279)
Free Base

>  <CAS> (279)
944118-01-8

>  <URL> (279)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
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>  <Mol_ID> (280)
280

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C26H20ClN3O5

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S7898

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GSK621

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N/A

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AMPK

>  <Form> (280)
Free Base

>  <CAS> (280)
1346607-05-3

>  <URL> (280)
http://www.selleckchem.com/products/gsk621.html

$$$$
ORY-1001.cdx
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>  <Mol_ID> (281)
281

>  <Formula> (281)
C15H24Cl2N2

>  <MolWeight> (281)
303.27046

>  <Cat> (281)
S7795

>  <Name> (281)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (281)
N/A

>  <Target> (281)
Histone Demethylase

>  <Form> (281)
Dihydrochloride

>  <CAS> (281)
1431326-61-2

>  <URL> (281)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
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>  <Mol_ID> (282)
282

>  <Formula> (282)
C18H19F3N6O

>  <MolWeight> (282)
392.3782696

>  <Cat> (282)
S7541

>  <Name> (282)
Decernotinib (VX-509)

>  <Synonyms> (282)
N/A

>  <Target> (282)
JAK

>  <Form> (282)
Free Base

>  <CAS> (282)
944842-54-0

>  <URL> (282)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (283)
283

>  <Formula> (283)
C24H20Cl2FN5O2

>  <MolWeight> (283)
500.3523032

>  <Cat> (283)
S7709

>  <Name> (283)
VX-11e

>  <Synonyms> (283)
VTX-11e, Vertex-11e

>  <Target> (283)
ERK

>  <Form> (283)
Free Base

>  <CAS> (283)
896720-20-0

>  <URL> (283)
http://www.selleckchem.com/products/vx-11e.html

$$$$
Mitomycin C.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (284)
284

>  <Formula> (284)
C15H18N4O5

>  <MolWeight> (284)
334.32722

>  <Cat> (284)
S8146

>  <Name> (284)
Mitomycin C

>  <Synonyms> (284)
N/A
N/A
N/A

>  <Target> (284)
DNA/RNA Synthesis

>  <Form> (284)
Free Base

>  <CAS> (284)
18451

>  <URL> (284)
http://www.selleckchem.com/products/mitomycin-c.html

$$$$
NVP-TNKS656.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (285)
285

>  <Formula> (285)
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>  <MolWeight> (285)
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>  <Cat> (285)
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>  <Name> (285)
NVP-TNKS656

>  <Synonyms> (285)
N/A

>  <Target> (285)
PARP

>  <Form> (285)
Free Base

>  <CAS> (285)
1419949-20-4

>  <URL> (285)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/10202017462D

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286

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280.66386

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S7979

>  <Name> (286)
FG-2216

>  <Synonyms> (286)
N/A

>  <Target> (286)
HIF

>  <Form> (286)
Free Base

>  <CAS> (286)
223387-75-5

>  <URL> (286)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C16H18N4O2

>  <MolWeight> (287)
298.33972

>  <Cat> (287)
S7832

>  <Name> (287)
SGC707

>  <Synonyms> (287)
N/A

>  <Target> (287)
Histone Methyltransferase

>  <Form> (287)
Free Base

>  <CAS> (287)
1687736-54-4

>  <URL> (287)
http://www.selleckchem.com/products/sgc707.html

$$$$
Cucurbitacin B.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C32H46O8

>  <MolWeight> (288)
558.70284

>  <Cat> (288)
S8165

>  <Name> (288)
Cucurbitacin B

>  <Synonyms> (288)
N/A

>  <Target> (288)
Microtubule Associated

>  <Form> (288)
Free Base

>  <CAS> (288)
6199-67-3

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

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (289)
289

>  <Formula> (289)
C13H14N8O2

>  <MolWeight> (289)
314.30266

>  <Cat> (289)
S8138

>  <Name> (289)
Molidustat(BAY 85-3934)

>  <Synonyms> (289)
N/A

>  <Target> (289)
HIF

>  <Form> (289)
Free Base

>  <CAS> (289)
1154028-82-6

>  <URL> (289)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Mirin.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (290)
290

>  <Formula> (290)
C10H8N2O2S

>  <MolWeight> (290)
220.24772

>  <Cat> (290)
S8096

>  <Name> (290)
Mirin

>  <Synonyms> (290)
N/A

>  <Target> (290)
ATM/ATR

>  <Form> (290)
Free Base

>  <CAS> (290)
1198097-97-0

>  <URL> (290)
http://www.selleckchem.com/products/mirin.html

$$$$
GSK2879552.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C23H30Cl2N2O2

>  <MolWeight> (291)
437.4025

>  <Cat> (291)
S7796

>  <Name> (291)
GSK2879552 2HCl

>  <Synonyms> (291)
N/A

>  <Target> (291)
Histone Demethylase

>  <Form> (291)
Dihydrochloride

>  <CAS> (291)
1401966-69-5

>  <URL> (291)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (292)
292

>  <Formula> (292)
C19H27N3O6

>  <MolWeight> (292)
393.43418

>  <Cat> (292)
S8171

>  <Name> (292)
Daprodustat (GSK1278863)

>  <Synonyms> (292)
N/A

>  <Target> (292)
HIF

>  <Form> (292)
Free Base

>  <CAS> (292)
960539-70-2

>  <URL> (292)
http://www.selleckchem.com/products/daprodustat.html

$$$$
MS023.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C17H25N3O

>  <MolWeight> (293)
287.3999

>  <Cat> (293)
S8112

>  <Name> (293)
MS023

>  <Synonyms> (293)
N/A

>  <Target> (293)
Histone Methyltransferase

>  <Form> (293)
Free Base

>  <CAS> (293)
1831110-54-3

>  <URL> (293)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (294)
294

>  <Formula> (294)
C30H28N6O6S4

>  <MolWeight> (294)
696.83992

>  <Cat> (294)
S8068

>  <Name> (294)
Chaetocin

>  <Synonyms> (294)
N/A

>  <Target> (294)
Histone Methyltransferase

>  <Form> (294)
Free Base

>  <CAS> (294)
28097-03-2

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

$$$$
ON123300.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C24H27N7O

>  <MolWeight> (295)
429.51748

>  <Cat> (295)
S8161

>  <Name> (295)
ON123300

>  <Synonyms> (295)
N/A

>  <Target> (295)
CDK

>  <Form> (295)
Free Base

>  <CAS> (295)
1357470-29-1

>  <URL> (295)
http://www.selleckchem.com/products/on123300.html

$$$$
AZ6102.cdx
csChFnd80/10202017462D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C25H28N6O

>  <MolWeight> (296)
428.52942

>  <Cat> (296)
S7767

>  <Name> (296)
AZ6102

>  <Synonyms> (296)
AZ-6102

>  <Target> (296)
PPAR

>  <Form> (296)
Free Base

>  <CAS> (296)
1645286-75-4

>  <URL> (296)
http://www.selleckchem.com/products/az6102.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/10202017462D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C19H27N5O6S

>  <MolWeight> (297)
453.51258

>  <Cat> (297)
S8195

>  <Name> (297)
Oclacitinib maleate

>  <Synonyms> (297)
PF-03394197

>  <Target> (297)
JAK

>  <Form> (297)
Free Base

>  <CAS> (297)
1640292-55-2

>  <URL> (297)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
PF-CBP1.cdx
csChFnd80/10202017462D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C29H37ClN4O3

>  <MolWeight> (298)
525.08208

>  <Cat> (298)
S8180

>  <Name> (298)
PF-CBP1 HCL

>  <Synonyms> (298)
N/A

>  <Target> (298)
Epigenetic Reader Domain

>  <Form> (298)
Hydrochloride

>  <URL> (298)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (299)
299

>  <Formula> (299)
C22H28N4O2

>  <MolWeight> (299)
380.48332

>  <Cat> (299)
S8111

>  <Name> (299)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (299)
EPZ015866, GSK3203591

>  <Target> (299)
Histone Methyltransferase

>  <Form> (299)
Free Base

>  <CAS> (299)
1616391-87-7

>  <URL> (299)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (300)
300

>  <Formula> (300)
C28H22ClF3N6O3

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S8206

>  <Synonyms> (300)
N/A

>  <Target> (300)
Dehydrogenase

>  <Form> (300)
Free Base

>  <CAS> (300)
1448347-49-6

>  <URL> (300)
http://www.selleckchem.com/products/ag-120-Ivosidenib.html

$$$$
HLCL-61.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C23H25ClN2O

>  <MolWeight> (301)
380.9104

>  <Cat> (301)
S8209

>  <Name> (301)
HLCL-61 hydrochloride

>  <Synonyms> (301)
HLCL61

>  <Target> (301)
Histone Methyltransferase

>  <Form> (301)
Hydrochloride

>  <CAS> (301)
1158279-20-9

>  <URL> (301)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/10202017462D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
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>  <Cat> (302)
S7835

>  <Name> (302)
I-BRD9 (GSK602)

>  <Synonyms> (302)
GSK602

>  <Target> (302)
Epigenetic Reader Domain

>  <Form> (302)
Free Base

>  <CAS> (302)
1714146-59-4

>  <URL> (302)
http://www.selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
csChFnd80/10202017462D

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AMPK

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738606-46-7

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Dehydrogenase

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Free Base

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1446502-11-9

>  <URL> (304)
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KDM4D-IN-1

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2098902-68-0

>  <URL> (305)
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Epigenetic Reader Domain

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1883429-21-7

>  <URL> (306)
http://www.selleckchem.com/products/bi-7273.html

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>  <Mol_ID> (308)
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>  <Synonyms> (308)
N/A

>  <Target> (308)
Histone Methyltransferase

>  <Form> (308)
Free Base

>  <CAS> (308)
1527503-11-2

>  <URL> (308)
http://www.selleckchem.com/products/a-366.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (309)
309

>  <Formula> (309)
C26H28N4O4S

>  <MolWeight> (309)
492.58992

>  <Cat> (309)
S7625

>  <Name> (309)
MK-4827(Niraparib) tosylate

>  <Synonyms> (309)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (309)
PARP

>  <Form> (309)
4-?methylbenzen

>  <CAS> (309)
1038915-73-9

>  <URL> (309)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
ITSA-1 (ITSA1).cdx
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>  <Mol_ID> (310)
310

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C13H7Cl2N3O

>  <MolWeight> (310)
292.12018

>  <Cat> (310)
S8323

>  <Name> (310)
ITSA-1 (ITSA1)

>  <Synonyms> (310)
N/A

>  <Target> (310)
HDAC

>  <Form> (310)
Free Base

>  <CAS> (310)
200626-61-5

>  <URL> (310)
http://www.selleckchem.com/products/itsa-1-itsa1.html

$$$$
LY333531.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (311)
311

>  <Formula> (311)
C28H29ClN4O3

>  <MolWeight> (311)
505.00786

>  <Cat> (311)
S7663

>  <Name> (311)
LY333531 HCl

>  <Synonyms> (311)
Ruboxistaurin

>  <Target> (311)
PKC

>  <Form> (311)
hydrochloride

>  <CAS> (311)
169939-93-9

>  <URL> (311)
http://www.selleckchem.com/products/ly333531.html

$$$$
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>  <Mol_ID> (316)
316

>  <Formula> (316)
C26H40O5

>  <MolWeight> (316)
432.5928

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S4709

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Latanoprost

>  <Synonyms> (316)
Xalatan, PhXA41, PHXA-41

>  <Target> (316)
GPR

>  <Form> (316)
Free Base

>  <CAS> (316)
130209-82-4

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

$$$$
CPI-637.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (317)
317

>  <Formula> (317)
C22H22N6O

>  <MolWeight> (317)
386.44968

>  <Cat> (317)
S8190

>  <Name> (317)
CPI-637

>  <Synonyms> (317)
N/A

>  <Target> (317)
Epigenetic Reader Domain

>  <Form> (317)
Free Base

>  <CAS> (317)
1884712-47-3

>  <URL> (317)
http://www.selleckchem.com/products/cpi-637.html

$$$$
OICR-9429.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (318)
318

>  <Formula> (318)
C29H32F3N5O3

>  <MolWeight> (318)
555.5912896

>  <Cat> (318)
S7833

>  <Name> (318)
OICR-9429

>  <Synonyms> (318)
N/A

>  <Target> (318)
Histone Methyltransferase

>  <Form> (318)
Free Base

>  <CAS> (318)
1801787-56-3

>  <URL> (318)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
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>  <Mol_ID> (319)
319

>  <Formula> (319)
C27H33F3N4O3

>  <MolWeight> (319)
518.5711296

>  <Cat> (319)
S8353

>  <Name> (319)
CPI-1205

>  <Synonyms> (319)
CPI 1205, CPI1205

>  <Target> (319)
Histone Methyltransferase

>  <Form> (319)
Free Base

>  <CAS> (319)
1621862-70-1

>  <URL> (319)
http://www.selleckchem.com/products/cpi-1205.html

$$$$

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>  <Mol_ID> (320)
320

>  <Formula> (320)
C20H25N3O2

>  <MolWeight> (320)
339.4314

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S1073

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BML210/CAY10433

>  <Synonyms> (320)
N/A

>  <Target> (320)
HDAC

>  <Form> (320)
Free Base

>  <CAS> (320)
537034-17-6

>  <URL> (320)
http://www.selleck.cn/products/bml210-cay10433.html

$$$$
BGP-15.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (321)
321

>  <Formula> (321)
C14H24Cl2N4O2

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351.27196

>  <Cat> (321)
S8370

>  <Name> (321)
BGP-15 2HCl

>  <Synonyms> (321)
N/A

>  <Target> (321)
PARP

>  <Form> (321)
dihydrochloride

>  <CAS> (321)
66611-37-8

>  <URL> (321)
http://www.selleckchem.com/products/bgp-15.html

$$$$
CPI-455.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (322)
322

>  <Formula> (322)
C16H15ClN4O

>  <MolWeight> (322)
314.7695

>  <Cat> (322)
S8287

>  <Name> (322)
CPI-455 HCl

>  <Synonyms> (322)
N/A

>  <Target> (322)
Histone Demethylase

>  <Form> (322)
hydrochloride

>  <CAS> (322)
1628208-23-0(free base)

>  <URL> (322)
http://www.selleckchem.com/products/cpi-455.html

$$$$
ML-7.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (323)
323

>  <Formula> (323)
C15H18ClIN2O2S

>  <MolWeight> (323)
452.73809

>  <Cat> (323)
S8388

>  <Name> (323)
ML-7 HCl

>  <Synonyms> (323)
N/A

>  <Target> (323)
Others

>  <Form> (323)
hydrochloride

>  <CAS> (323)
110448-33-4

>  <URL> (323)
http://www.selleckchem.com/products/ml-7.html

$$$$
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Histone Methyltransferase

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Free Base

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1872382-47-2

>  <URL> (324)
http://www.selleckchem.com/products/unc3866.html

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Histone Methyltransferase

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dihydrochloride

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1502816-23-0(free base)

>  <URL> (325)
http://www.selleckchem.com/products/ms049.html

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CaMK

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Free Base

>  <CAS> (326)
52029-86-4

>  <URL> (326)
http://www.selleckchem.com/products/sto-609.html

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M  END
>  <Mol_ID> (328)
328

>  <Formula> (328)
C30H47N5O2

>  <MolWeight> (328)
509.72648

>  <Cat> (328)
S8071

>  <Name> (328)
UNC0638

>  <Synonyms> (328)
N/A

>  <Target> (328)
Histone Methyltransferase

>  <Form> (328)
Free Base

>  <CAS> (328)
1255580-76-7

>  <URL> (328)
http://www.selleckchem.com/products/unc0638.html

$$$$
EPZ020411.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (329)
329

>  <Formula> (329)
C25H40Cl2N4O3

>  <MolWeight> (329)
515.5161

>  <Cat> (329)
S7820

>  <Name> (329)
EPZ020411 2HCl

>  <Synonyms> (329)
N/A

>  <Target> (329)
Histone Methyltransferase

>  <Form> (329)
dihydrochloride

>  <CAS> (329)
1700663-41-7(free base)

>  <URL> (329)
http://www.selleckchem.com/products/epz020411.html

$$$$
MI-463.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (330)
330

>  <Formula> (330)
C24H23F3N6S

>  <MolWeight> (330)
484.5398296

>  <Cat> (330)
S7816

>  <Name> (330)
MI-463

>  <Synonyms> (330)
N/A

>  <Target> (330)
Histone Methyltransferase

>  <Form> (330)
Free Base

>  <CAS> (330)
1628317-18-9

>  <URL> (330)
http://www.selleckchem.com/products/mi-463.html

$$$$
RRx-001.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (331)
331

>  <Formula> (331)
C5H6BrN3O5

>  <MolWeight> (331)
268.02224

>  <Cat> (331)
S8405

>  <Name> (331)
RRx-001

>  <Synonyms> (331)
N/A

>  <Target> (331)
Dehydrogenase

>  <Form> (331)
Free Base

>  <CAS> (331)
925206-65-1

>  <URL> (331)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (332)
332

>  <Formula> (332)
C34H51N3O3S

>  <MolWeight> (332)
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>  <Cat> (332)
S8245

>  <Name> (332)
Thiomyristoyl

>  <Synonyms> (332)
TM

>  <Target> (332)
Sirtuin

>  <Form> (332)
Free Base

>  <CAS> (332)
1429749-41-6

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

$$$$
Salermide.cdx
csChFnd80/10202017462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (333)
333

>  <Formula> (333)
C26H22N2O2

>  <MolWeight> (333)
394.46508

>  <Cat> (333)
S8460

>  <Name> (333)
Salermide

>  <Synonyms> (333)
N/A

>  <Target> (333)
Sirtuin

>  <Form> (333)
Free Base

>  <CAS> (333)
1105698-15-4

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

$$$$
YC-1.cdx
csChFnd80/10202017462D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C19H16N2O2

>  <MolWeight> (334)
304.34254

>  <Cat> (334)
S7958

>  <Name> (334)
Lificiguat(YC-1)

>  <Synonyms> (334)
N/A

>  <Target> (334)
HIF

>  <Form> (334)
Free Base

>  <CAS> (334)
170632-47-0

>  <URL> (334)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10202017462D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (335)
335

>  <Formula> (335)
C15H18O2

>  <MolWeight> (335)
230.30222

>  <Cat> (335)
S8291

>  <Name> (335)
Atractylenolide I

>  <Synonyms> (335)
N/A

>  <Target> (335)
Immunology & Inflammation related

>  <Form> (335)
Free Base

>  <CAS> (335)
73069-13-3
73069-13-3

>  <URL> (335)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/10202017462D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C22H19F2N3O4S

>  <MolWeight> (336)
459.4657664

>  <Cat> (336)
S8400

>  <Name> (336)
ABBV-075 (Mivebresib)

>  <Synonyms> (336)
N/A

>  <Target> (336)
Epigenetic Reader Domain

>  <Form> (336)
Free Base

>  <CAS> (336)
1445993-26-9

>  <URL> (336)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/10202017462D

 33 35  0  0  0  0  0  0  0  0999 V2000
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HDAC

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1316215-12-9

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Aurora Kinase Inhibitor III

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Aurora Kinase

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Free Base

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879127-16-9

>  <URL> (338)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

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E7449

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N/A

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PARP

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Free Base

>  <CAS> (339)
1140964-99-3

>  <URL> (339)
http://www.selleckchem.com/products/e7449.html

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>  <CAS> (340)
1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (340)
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1910124-24-1

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>  <URL> (344)
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C28H41Cl3N6O2

>  <MolWeight> (345)
600.02314

>  <Cat> (345)
S8006

>  <Name> (345)
BIX 01294

>  <Synonyms> (345)
N/A

>  <Target> (345)
Histone Methyltransferase

>  <Form> (345)
trihydrochloride

>  <CAS> (345)
1392399-03-9

>  <URL> (345)
http://www.selleckchem.com/products/bix-01294.html

$$$$
CFI-400945.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C33H34N4O3

>  <MolWeight> (346)
534.64806

>  <Cat> (346)
S7552

>  <Name> (346)
CFI-400945

>  <Synonyms> (346)
N/A

>  <Target> (346)
PLK

>  <Form> (346)
Free Base

>  <CAS> (346)
1338806-73-7

>  <URL> (346)
http://www.selleckchem.com/products/cfi-400945.html

$$$$
Cl-amidine.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (347)
347

>  <Formula> (347)
C16H20ClF3N4O4

>  <MolWeight> (347)
424.8026096

>  <Cat> (347)
S8141

>  <Name> (347)
Cl-amidine

>  <Synonyms> (347)
N/A

>  <Target> (347)
Immunology & Inflammation related

>  <Form> (347)
trifluoroacetate

>  <CAS> (347)
1043444-18-3

>  <URL> (347)
http://www.selleckchem.com/products/cl-amidine.html

$$$$
A-196.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C18H16Cl2N4

>  <MolWeight> (348)
359.25244

>  <Cat> (348)
S7983

>  <Name> (348)
S7983
S7983
A-196

>  <Synonyms> (348)
N/A

>  <Target> (348)
SUV420H1,SUV420H2

>  <Form> (348)
free base

>  <CAS> (348)
1982372-88-2

>  <URL> (348)
http://www.selleckchem.com/products/a-196.html

$$$$
SGC2085.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (349)
349

>  <Formula> (349)
C19H24N2O2

>  <MolWeight> (349)
312.40606

>  <Cat> (349)
S8340

>  <Name> (349)
SGC2085

>  <Synonyms> (349)
N/A

>  <Target> (349)
CARM1

>  <Form> (349)
free base

>  <CAS> (349)
1821908-48-8

>  <URL> (349)
http://www.selleckchem.com/products/sgc2085.html

$$$$
TMP195.cdx
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1174428-47-7

>  <URL> (351)
http://www.selleckchem.com/products/sf2523.html

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Syk,FLT3,ZAP-70,JAK3,VEGFR2

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1952251-28-3

>  <URL> (352)
http://www.selleckchem.com/products/tak-659.html

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   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C22H19FN4O2

>  <MolWeight> (354)
390.4102632

>  <Cat> (354)
S8567

>  <Name> (354)
Tucidinostat (Chidamide)

>  <Synonyms> (354)
HBI-8000, CS-055

>  <Target> (354)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (354)
free base

>  <CAS> (354)
743420-02-2

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

$$$$
3-TYP.cdx
csChFnd80/10202017462D

 11 12  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
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 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C7H6N4

>  <MolWeight> (355)
146.14934

>  <Cat> (355)
S8628

>  <Name> (355)
3-TYP

>  <Synonyms> (355)
3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (355)
SIRT3,SIRT1,SIRT2

>  <Form> (355)
free base

>  <CAS> (355)
120241-79-4

>  <URL> (355)
http://www.selleckchem.com/products/3-typ.html

$$$$
PF-06726304.cdx
csChFnd80/10202017462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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  3 24  1  0  0  0  0
 11 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C22H21Cl2N3O3

>  <MolWeight> (356)
446.32644

>  <Cat> (356)
S8494

>  <Name> (356)
PF-06726304

>  <Synonyms> (356)
PF-6726304

>  <Target> (356)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (356)
free base

>  <CAS> (356)
1616287-82-1

>  <URL> (356)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
ACSS2 inhibitor.cdx
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C20H18N4O2S2

>  <MolWeight> (357)
410.51252

>  <Cat> (357)
S8588

>  <Name> (357)
ACSS2 inhibitor

>  <Synonyms> (357)
N/A

>  <Target> (357)
ACSS2

>  <Form> (357)
free base

>  <CAS> (357)
508186-14-9

>  <URL> (357)
http://www.selleckchem.com/products/acss2-inhibitor.html

$$$$
PF-06409577.cdx
csChFnd80/10202017462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C19H16ClNO3

>  <MolWeight> (358)
341.78824

>  <Cat> (358)
S8335

>  <Name> (358)
PF-06409577

>  <Synonyms> (358)
N/A

>  <Target> (358)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (358)
free base

>  <CAS> (358)
1467057-23-3

>  <URL> (358)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
ACY-738.cdx
csChFnd80/10202017462D

 20 22  0  0  0  0  0  0  0  0999 V2000
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http://www.selleckchem.com/products/unc0642.html

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   10.7952    9.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6441    6.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9011    5.3183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4130    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5404    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    4.3188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    2.5039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2597    5.9966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 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 15  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 29  1  0  0  0  0
 32 36  1  0  0  0  0
 31 40  1  0  0  0  0
 20 21  3  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C26H23F4N9O

>  <MolWeight> (367)
553.5141328

>  <Cat> (367)
S7812

>  <Name> (367)
Itacitinib (INCB39110)

>  <Synonyms> (367)
N/A

>  <Target> (367)
JAK

>  <Form> (367)
free base

>  <CAS> (367)
1334298-90-6

>  <URL> (367)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
SNS-314.cdx
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    4.3233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    6.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0983    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    5.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    3.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    3.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    4.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    5.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536    7.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650    7.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    5.6641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 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  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C18H15ClN6OS2

>  <MolWeight> (368)
430.9343

>  <Cat> (368)
S8699

>  <Name> (368)
SNS-314 Mesylate

>  <Synonyms> (368)
N/A

>  <Target> (368)
Aurora Kinase

>  <CAS> (368)
1057249-41-8

>  <URL> (368)
http://selleckchem.com/products/sns-314.html

$$$$
S5269 J147.cdx
csChFnd80/10202017462D

 25 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    3.6876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    6.1124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  4  5  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  1  0  0  0  0
  9 13  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 16 22  1  0  0  0  0
  4 15  1  0  0  0  0
  1  4  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C18H17F3N2O2

>  <MolWeight> (369)
350.3349896

>  <Cat> (369)
S5269

>  <Name> (369)
J147

>  <Synonyms> (369)
N/A

>  <Target> (369)
Others

>  <Form> (369)
free base

>  <CAS> (369)
1146963-51-0

>  <URL> (369)
http://selleckchem.com/products/j147.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10202017462D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C10H16N5O8P

>  <MolWeight> (370)
365.236501

>  <Cat> (370)
S5284

>  <Name> (370)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (370)
5'-Adenylic acid, 5'-AMP

>  <Target> (370)
AMPK

>  <Form> (370)
hydrate 

>  <CAS> (370)
18422-05-4

>  <URL> (370)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10202017462D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C17H21N6O4P

>  <MolWeight> (371)
404.360201

>  <Cat> (371)
S5243

>  <Name> (371)
Ruxolitinib Phosphate

>  <Synonyms> (371)
INCB018424, INC424

>  <Target> (371)
JAK

>  <Form> (371)
phosphate 

>  <CAS> (371)
1092939-17-7

>  <URL> (371)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5262 UNC-926.cdx
csChFnd80/10202017462D

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    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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    7.2746    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C16H21BrN2O

>  <MolWeight> (372)
337.25474

>  <Cat> (372)
S5262

>  <Name> (372)
UNC-926

>  <Synonyms> (372)
N/A

>  <Target> (372)
Others

>  <Form> (372)
free base

>  <CAS> (372)
1184136-10-4

>  <URL> (372)
http://selleckchem.com/products/unc-926.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10202017462D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C12H9ClO2S

>  <MolWeight> (373)
252.71666

>  <Cat> (373)
S5438

>  <Name> (373)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (373)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (373)
HDAC

>  <Form> (373)
free base

>  <CAS> (373)
1623-93-4

>  <URL> (373)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/10202017462D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8451    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
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  5 10  1  0  0  0  0
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  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
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 31 33  2  0  0  0  0
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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C21H16N2O9S2

>  <MolWeight> (374)
504.48974

>  <Cat> (374)
S5445

>  <Name> (374)
AMI-1, free acid

>  <Synonyms> (374)
N/A

>  <Target> (374)
Histone Methyltransferase

>  <Form> (374)
free base

>  <CAS> (374)
134-47-4

>  <URL> (374)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/10202017462D

 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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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  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
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 17 20  1  0  0  0  0
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 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
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 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
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M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C22H26O11

>  <MolWeight> (375)
466.43524

>  <Cat> (375)
S5457

>  <Name> (375)
Curculigoside

>  <Synonyms> (375)
Curculigoside A

>  <Target> (375)
Immunology & Inflammation related

>  <Form> (375)
free base

>  <CAS> (375)
85643-19-2

>  <URL> (375)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/10202017462D

 44 47  0  0  0  0  0  0  0  0999 V2000
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    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
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 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
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 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C29H36O15

>  <MolWeight> (376)
624.58714

>  <Cat> (376)
S5458

>  <Name> (376)
Verbascoside

>  <Synonyms> (376)
Acteoside, Kusaginin

>  <Target> (376)
Immunology & Inflammation related

>  <Form> (376)
free base

>  <CAS> (376)
61276-17-3

>  <URL> (376)
http://selleckchem.com/products/verbascoside.html

$$$$
S5588 Creatine.cdx
csChFnd80/10202017462D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C4H9N3O2

>  <MolWeight> (377)
131.13316

>  <Cat> (377)
S5588

>  <Name> (377)
Creatine

>  <Synonyms> (377)
Methylguanidoacetic acid

>  <Target> (377)
Others

>  <Form> (377)
free base

>  <CAS> (377)
57-00-1

>  <URL> (377)
http://selleckchem.com/products/creatine.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10202017462D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    5.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2555    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5685    4.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    8.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2115    6.3459    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
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  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
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
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 20 22  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> (378)
378

>  <Formula> (378)
C20H18O6

>  <MolWeight> (378)
354.35332

>  <Cat> (378)
S3934

>  <Name> (378)
Acetyl Resveratrol

>  <Synonyms> (378)
N/A

>  <Target> (378)
Sirt12

>  <Form> (378)
free base

>  <CAS> (378)
42206-94-0

>  <URL> (378)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10202017462D

 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
    0.0000    2.0758    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (379)
379

>  <Formula> (379)
C8H6N2O

>  <MolWeight> (379)
146.14604

>  <Cat> (379)
S9360

>  <Name> (379)
4-Hydroxyquinazoline

>  <Form> (379)
free base

>  <CAS> (379)
491-36-1

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/10202017462D

 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
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   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
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   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
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  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
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 10 11  1  0  0  0  0
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 12  5  1  0  0  0  0
 13 16  2  0  0  0  0
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 18 28  2  0  0  0  0
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 22 20  1  0  0  0  0
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 25 23  2  0  0  0  0
 26 24  1  0  0  0  0
 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
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 50 44  1  0  0  0  0
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 53 43  1  0  0  0  0
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 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (380)
380

>  <Formula> (380)
C34H42O19

>  <MolWeight> (380)
754.68588

>  <Cat> (380)
S9401

>  <Name> (380)
 3,6'-Disinapoyl sucrose

>  <Form> (380)
free base

>  <CAS> (380)
139891-98-8

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/10202017462D

 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
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M  END
>  <Mol_ID> (381)
381

>  <Formula> (381)
C22H24NO4+

>  <MolWeight> (381)
366.43026

>  <Cat> (381)
S9431

>  <Name> (381)
Dehydrocorydalin

>  <Form> (381)
free base

>  <CAS> (381)
30045-16-0

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C22H34O3

>  <MolWeight> (382)
346.50356

>  <Cat> (382)
S9432

>  <Name> (382)
Ginkgolic Acid

>  <Form> (382)
free base

>  <CAS> (382)
22910-60-7

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C20H32O3

>  <MolWeight> (383)
320.46628

>  <Cat> (383)
S9445

>  <Name> (383)
Ginkgolic Acid (C130)

>  <Form> (383)
free base

>  <CAS> (383)
20261-38-5

$$$$

csChFnd80/10202017462D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C6H6Br6

>  <MolWeight> (384)
557.53584

>  <Cat> (384)
S5902

>  <Name> (384)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (384)
NSC7908

>  <Target> (384)
JAK

>  <Form> (384)
Free Base

>  <CAS> (384)
1837-91-8

>  <URL> (384)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/10202017462D

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M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C16H15N3O3

>  <MolWeight> (385)
297.3086

>  <Cat> (385)
S5903

>  <Name> (385)
JANEX-1

>  <Synonyms> (385)
WHI-P131

>  <Target> (385)
JAK

>  <Form> (385)
Free Base

>  <CAS> (385)
202475-60-3

>  <URL> (385)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/10202017462D

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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 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> (386)
386

>  <Formula> (386)
C16H13Br2N3O3

>  <MolWeight> (386)
455.10072

>  <Cat> (386)
S5904

>  <Name> (386)
WHI-P97

>  <Synonyms> (386)
N/A

>  <Target> (386)
JAK

>  <Form> (386)
Free Base

>  <CAS> (386)
211555-05-4

>  <URL> (386)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/10202017462D

 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> (387)
387

>  <Formula> (387)
C8H16N2O4

>  <MolWeight> (387)
204.22364

>  <Cat> (387)
S5905

>  <Name> (387)
Suberohydroxamic acid

>  <Synonyms> (387)
suberic bishydroxamic acid

>  <Target> (387)
HDAC

>  <Form> (387)
Free Base

>  <CAS> (387)
38937-66-5

>  <URL> (387)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/10202017462D

 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> (388)
388

>  <Formula> (388)
C7H5NO4

>  <MolWeight> (388)
167.1189

>  <Cat> (388)
S5906

>  <Name> (388)
2,4-Pyridinedicarboxylic acid

>  <Synonyms> (388)
Lutidinic Acid; 2,4-Dicarboxypyridine; 2,4-PDCA

>  <Target> (388)
Others

>  <Form> (388)
Free Base

>  <CAS> (388)
499-80-9

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

$$$$

csChFnd80/10202017462D

 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> (389)
389

>  <Formula> (389)
C10H15N3O4

>  <MolWeight> (389)
241.2438

>  <Cat> (389)
S5907

>  <Name> (389)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (389)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (389)
Others

>  <Form> (389)
Free Base

>  <CAS> (389)
838-07-3

>  <URL> (389)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$

csChFnd80/10202017462D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8480    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    7.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    9.2219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    5.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325    4.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872    2.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626   11.3119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    4.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    7.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6198    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933    5.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    7.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    5.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7361    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
  7  1  1  0  0  0  0
  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> (390)
390

>  <Formula> (390)
C21H16N2O2S

>  <MolWeight> (390)
360.42894

>  <Cat> (390)
S5913

>  <Name> (390)
Cambinol

>  <Synonyms> (390)
N/A

>  <Target> (390)
TNF-alpha

>  <Form> (390)
Free Base

>  <CAS> (390)
14513-15-6

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

$$$$

csChFnd80/10202017462D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2117    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2808    2.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6184    3.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1301    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4301    5.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0276    5.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376    4.8771    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
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 17 20  1  0  0  0  0
  4 17  1  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C19H21BrN2O3S

>  <MolWeight> (391)
437.35064

>  <Cat> (391)
S5914

>  <Name> (391)
AK 7

>  <Synonyms> (391)
N/A

>  <Target> (391)
Sirtuin

>  <Form> (391)
Free Base

>  <CAS> (391)
420831-40-9

>  <URL> (391)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/10202017462D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6455    6.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    7.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    8.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    7.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    4.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    9.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    8.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4173    3.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010    4.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2524    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2524    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5884    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    4.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8570    2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0545    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    2.0914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4222    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8162    3.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0456    5.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 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> (392)
392

>  <Formula> (392)
C22H26N4O3

>  <MolWeight> (392)
394.46684

>  <Cat> (392)
S5916

>  <Name> (392)
GSK 5959

>  <Synonyms> (392)
N/A

>  <Target> (392)
Epigenetic Reader Do

>  <Form> (392)
Free Base

>  <CAS> (392)
901245-65-6

>  <URL> (392)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/10202017462D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5456    3.9407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C22H23N5O2

>  <MolWeight> (393)
389.45032

>  <Cat> (393)
S5917

>  <Name> (393)
Solcitinib

>  <Synonyms> (393)
GLPG0778, GSK2586184

>  <Target> (393)
JAK

>  <Form> (393)
Free Base

>  <CAS> (393)
1206163-45-2

>  <URL> (393)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/10202017462D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.4337    7.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  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
  9 13  1  0  0  0  0
 12 14  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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 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
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C22H15FN4O2S

>  <MolWeight> (394)
418.4435032

>  <Cat> (394)
S5918

>  <Name> (394)
CAY10602

>  <Synonyms> (394)
N/A

>  <Target> (394)
Sirtuin

>  <Form> (394)
Free Base

>  <CAS> (394)
374922-43-7

>  <URL> (394)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/10202017462D

 26 28  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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 14 16  1  0  0  0  0
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 18 15  1  0  0  0  0
 13 19  1  0  0  0  0
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 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 16 25  1  1  0  0  0
  7 26  3  0  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C17H12F3NO4S

>  <MolWeight> (395)
383.3416896

>  <Cat> (395)
S8352

>  <Name> (395)
PT2385

>  <Synonyms> (395)
N/A

>  <Target> (395)
HIF

>  <Form> (395)
Free Base

>  <CAS> (395)
1672665-49-4

>  <URL> (395)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/10202017462D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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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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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 20 15  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C17H13ClNO5P

>  <MolWeight> (396)
377.715581

>  <Cat> (396)
S8409

>  <Name> (396)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (396)
N/A

>  <Target> (396)
Epigenetic Reader Do

>  <Form> (396)
Free Base

>  <CAS> (396)
18228-17-6

>  <URL> (396)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/10202017462D

 22 26  0  0  0  0  0  0  0  0999 V2000
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 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C16H15FN4O

>  <MolWeight> (397)
298.3149032

>  <Cat> (397)
S8592

>  <Name> (397)
Pamiparib (BGB-290)

>  <Synonyms> (397)
N/A

>  <Target> (397)
PARP

>  <Form> (397)
Free Base

>  <CAS> (397)
1446261-44-4

>  <URL> (397)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/10202017462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C24H18ClN3O3

>  <MolWeight> (398)
431.87102

>  <Cat> (398)
S8654

>  <Name> (398)
ex229 (compound 991)

>  <Synonyms> (398)
N/A

>  <Target> (398)
AMPK

>  <Form> (398)
Free Base

>  <CAS> (398)
1219739-36-2

>  <URL> (398)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10202017462D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C34H48N4O4

>  <MolWeight> (399)
576.76932

>  <Cat> (399)
S8702

>  <Name> (399)
EBI-2511

>  <Synonyms> (399)
N/A

>  <Target> (399)
EZH1/2

>  <Form> (399)
Free Base

>  <CAS> (399)
2098546-05-3

>  <URL> (399)
http://www.selleckchem.com/products/ebi-2511.html

$$$$

csChFnd80/10202017462D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C20H21N3O5S

>  <MolWeight> (400)
415.46284

>  <Cat> (400)
S8714

>  <Name> (400)
INCB057643

>  <Synonyms> (400)
N/A

>  <Target> (400)
Epigenetic Reader Do

>  <Form> (400)
Free Base

>  <CAS> (400)
1820889-23-3

>  <URL> (400)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/10202017462D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    8.5347    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9595    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
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  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
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 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C28H30FN3O4

>  <MolWeight> (401)
491.5539032

>  <Cat> (401)
S8723

>  <Name> (401)
ABBV-744

>  <Synonyms> (401)
N/A

>  <Target> (401)
Epigenetic Reader Do

>  <Form> (401)
Free Base

>  <CAS> (401)
2138861-99-9

>  <URL> (401)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/10202017462D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
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 23 24  2  0  0  0  0
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  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C18H18FN5O2S

>  <MolWeight> (402)
387.4312232

>  <Cat> (402)
S8727

>  <Name> (402)
Atuveciclib (BAY-1143572)

>  <Synonyms> (402)
N/A

>  <Target> (402)
CDK

>  <Form> (402)
Free Base

>  <CAS> (402)
1414943-88-6

>  <URL> (402)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/10202017462D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    3.6373   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    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
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  2  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 13  1  0  0  0  0
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 21 18  1  0  0  0  0
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 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C26H26FN7O2

>  <MolWeight> (403)
487.5287432

>  <Cat> (403)
S8741

>  <Name> (403)
Avitinib (AC0010)

>  <Synonyms> (403)
N/A

>  <Target> (403)
EGFR

>  <Form> (403)
Free Base

>  <CAS> (403)
1557267-42-1

>  <URL> (403)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/10202017462D

 26 30  0  0  0  0  0  0  0  0999 V2000
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   11.5201    4.5258    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C22H18N4

>  <MolWeight> (404)
338.40512

>  <Cat> (404)
S8749

>  <Name> (404)
MBQ-167

>  <Synonyms> (404)
N/A

>  <Target> (404)
Rho

>  <Form> (404)
Free Base

>  <CAS> (404)
2097938-73-1

>  <URL> (404)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C16H16N4O2

>  <MolWeight> (405)
296.32384

>  <Cat> (405)
S8763

>  <Name> (405)
ZL0420

>  <Synonyms> (405)
N/A

>  <Target> (405)
Epigenetic Reader Do

>  <Form> (405)
Free Base

>  <CAS> (405)
2229039-45-4

>  <URL> (405)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/10202017462D

 27 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C23H32N2O2

>  <MolWeight> (406)
368.51238

>  <Cat> (406)
S8771

>  <Name> (406)
IDF-11774

>  <Synonyms> (406)
N/A

>  <Target> (406)
HIF

>  <Form> (406)
Free Base

>  <CAS> (406)
1429054-28-3

>  <URL> (406)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10202017462D

 46 50  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C38H46O8

>  <MolWeight> (407)
630.76704

>  <Cat> (407)
S9031

>  <Name> (407)
Gambogenic acid

>  <Form> (407)
free base

>  <CAS> (407)
173932-75-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10202017462D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C21H20O6

>  <MolWeight> (408)
368.3799

>  <Cat> (408)
S9080

>  <Name> (408)
Anhydroicaritin

>  <Form> (408)
free base

>  <CAS> (408)
118525-40-9

$$$$
S9100 Fraxinellone.cdx
csChFnd80/10202017462D

 17 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (409)
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>  <CAS> (409)
28808-62-0

$$$$

csChFnd80/10202017462D

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>  <Mol_ID> (410)
410

>  <Formula> (410)
C20H28O5

>  <MolWeight> (410)
348.43332

>  <Cat> (410)
S9101

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Ingenol

>  <Form> (410)
free base

>  <CAS> (410)
30220-46-3

$$$$
S9162 Rubimaillin.cdx
csChFnd80/10202017462D

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>  <Mol_ID> (411)
411

>  <Formula> (411)
C17H16O4

>  <MolWeight> (411)
284.30654

>  <Cat> (411)
S9162

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Rubimaillin

>  <CAS> (411)
55481-88-4

$$$$
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csChFnd80/10202017462D

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>  <Mol_ID> (412)
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>  <Formula> (412)
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>  <MolWeight> (412)
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>  <Cat> (412)
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>  <Name> (412)
Oroxin A

>  <Form> (412)
free base

>  <CAS> (412)
57396-78-8

$$$$
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csChFnd80/10202017462D

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>  <Mol_ID> (413)
413

>  <Formula> (413)
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>  <MolWeight> (413)
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>  <Cat> (413)
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>  <Name> (413)
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free base

>  <CAS> (413)
3681-93-4

$$$$
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   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
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  3  7  2  0  0  0  0
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  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
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 11 14  1  0  0  0  0
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 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> (414)
414

>  <Formula> (414)
C16H12O5

>  <MolWeight> (414)
284.26348

>  <Cat> (414)
S9204

>  <Name> (414)
Oroxylin A

>  <Form> (414)
free base

>  <CAS> (414)
480-11-5

$$$$
S9275 Isoguanosine.cdx
csChFnd80/10202017462D

 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
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    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> (415)
415

>  <Formula> (415)
C10H13N5O5

>  <MolWeight> (415)
283.24072

>  <Cat> (415)
S9275

>  <Name> (415)
Isoguanosine

>  <Form> (415)
free base

>  <CAS> (415)
1818-71-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10202017462D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 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> (416)
416

>  <Formula> (416)
C17H26O11

>  <MolWeight> (416)
406.38174

>  <Cat> (416)
S9307

>  <Name> (416)
Shanzhiside methyl ester

>  <Form> (416)
free base

>  <CAS> (416)
64421-28-9

$$$$
S9024 AKBA.cdx
csChFnd80/10202017462D

 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
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   10.8494    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8494    7.1821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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
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 19 40  1  1  0  0  0
 20 24  1  0  0  0  0
 21 26  1  6  0  0  0
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 22 28  2  0  0  0  0
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 31 35  1  6  0  0  0
 31 34  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C32H48O5

>  <MolWeight> (417)
512.72052

>  <Cat> (417)
S9024

>  <Name> (417)
AKBA

>  <CAS> (417)
67416-61-9

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/10202017462D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4327    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4293    2.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8468    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C9H8O2

>  <MolWeight> (418)
148.15862

>  <Cat> (418)
S9379

>  <Name> (418)
Dihydrocoumarin

>  <Form> (418)
free base

>  <CAS> (418)
119-84-6

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3951    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
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  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
  7 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C20H21N3O2

>  <MolWeight> (419)
335.39964

>  <Cat> (419)
S8049

>  <Name> (419)
Tubastatin A

>  <Target> (419)
others

>  <CAS> (419)
1252003-15-8

>  <URL> (419)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/10202017462D

 44 42  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.4509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    8.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.7509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.6509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.9509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1334    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    1.4000    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
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  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
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 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
 26 30  2  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 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 39  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C26H52N6O11S

>  <MolWeight> (420)
656.78968

>  <Cat> (420)
S5742

>  <Name> (420)
Deferoxamine mesylate

>  <Synonyms> (420)
desferrioxamine B

>  <Target> (420)
Others

>  <Form> (420)
mesylate

>  <CAS> (420)
138-14-7

>  <URL> (420)
http://www.selleckchem.com/products/deferoxamine-mesylate.html

$$$$

csChFnd80/10202017462D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6454    7.7618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    6.3537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4447    6.3641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035    5.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0969    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8948    2.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    0.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    2.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270    7.9616    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    9.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270    6.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115    8.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9308    9.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    3.4287    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    4.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4914    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C16H20N7O6PS

>  <MolWeight> (421)
469.412061

>  <Cat> (421)
S5754

>  <Name> (421)
Baricitinib phosphate

>  <Synonyms> (421)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (421)
JAK

>  <Form> (421)
phosphate

>  <CAS> (421)
1187595-84-1

>  <URL> (421)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/10202017462D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 S   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
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  2  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C6H11NOS2

>  <MolWeight> (422)
177.28764

>  <Cat> (422)
S5771

>  <Name> (422)
sulforaphane

>  <Synonyms> (422)
N/A

>  <Target> (422)
Nrf2

>  <Form> (422)
Free Base

>  <CAS> (422)
4478-93-7

>  <URL> (422)
http://www.selleckchem.com/products/sulforaphane.html

$$$$

csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    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    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9000    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  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
  9 10  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 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
 12 21  2  0  0  0  0
 16 21  1  0  0  0  0
 13 22  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C17H13N3O2

>  <MolWeight> (423)
291.30402

>  <Cat> (423)
S5772

>  <Name> (423)
AS-8351

>  <Synonyms> (423)
N/A

>  <Target> (423)
Histone Demethylase

>  <Form> (423)
Free Base

>  <CAS> (423)
796-42-9

>  <URL> (423)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/10202017462D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.4999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C5H10N2O2S

>  <MolWeight> (424)
162.2101

>  <Cat> (424)
S5804

>  <Name> (424)
N-Acetylcysteine amide

>  <Synonyms> (424)
N/A

>  <Target> (424)
Immunology & Inflamm

>  <Form> (424)
Free Base

>  <CAS> (424)
38520-57-9

>  <URL> (424)
http://www.selleckchem.com/products/n-acetylcysteine-amide.html

$$$$

csChFnd80/10202017462D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    3.6732    2.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2487    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9467    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1711    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  9 10  1  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  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C11H15BrN2O

>  <MolWeight> (425)
271.1536

>  <Cat> (425)
S5810

>  <Name> (425)
UF010

>  <Synonyms> (425)
N/A

>  <Target> (425)
HDAC

>  <Form> (425)
Free Base

>  <CAS> (425)
537672-41-6 

>  <URL> (425)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/10202017462D

 19 20  0  0  0  0  0  0  0  0999 V2000
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   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C15H16N2O2

>  <MolWeight> (426)
256.29974

>  <Cat> (426)
S8773

>  <Name> (426)
TH34

>  <Synonyms> (426)
N/A

>  <Target> (426)
HDAC

>  <Form> (426)
Free Base

>  <CAS> (426)
2196203-96-8

>  <URL> (426)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/10202017462D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2047    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
    1.2165    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    4.9047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 17 21  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 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C18H13F2N3O3S

>  <MolWeight> (427)
389.3759264

>  <Cat> (427)
S8776

>  <Name> (427)
WM-1119

>  <Synonyms> (427)
N/A

>  <Target> (427)
Histone Acetyltransf

>  <Form> (427)
Free Base

>  <CAS> (427)
2055397-28-7

>  <URL> (427)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/10202017462D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1542    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 20  2  0  0  0  0
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 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C27H19ClN2O3

>  <MolWeight> (428)
454.90436

>  <Cat> (428)
S8803

>  <Name> (428)
MK-3903

>  <Synonyms> (428)
N/A

>  <Target> (428)
AMPK

>  <Form> (428)
Free Base

>  <CAS> (428)
1219737-12-8

>  <URL> (428)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/10202017462D

 12 12  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
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  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C10H10O2

>  <MolWeight> (429)
162.1852

>  <Cat> (429)
S6221

>  <Name> (429)
Methyl cinnamate

>  <Synonyms> (429)
N/A

>  <Target> (429)
Others

>  <Form> (429)
free base

>  <CAS> (429)
103-26-4

>  <URL> (429)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/10202017462D

 55 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C38H37ClN8O7S

>  <MolWeight> (430)
785.26778

>  <Cat> (430)
S8296

>  <Name> (430)
dBET1

>  <Synonyms> (430)
N/A

>  <Target> (430)
Epigenetic Reader Do

>  <Form> (430)
free base

>  <CAS> (430)
1799711-21-9

>  <URL> (430)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/10202017462D

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M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C42H45ClN8O7S

>  <MolWeight> (431)
841.3741

>  <Cat> (431)
S8762

>  <Name> (431)
dBET6

>  <Synonyms> (431)
N/A

>  <Target> (431)
Epigenetic Reader Do

>  <Form> (431)
free base

>  <CAS> (431)
1950634-92-0

>  <URL> (431)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C14H21N5O2S

>  <MolWeight> (432)
323.41384

>  <Cat> (432)
S8765

>  <Name> (432)
PF-04965842

>  <Synonyms> (432)
N/A

>  <Target> (432)
JAK

>  <Form> (432)
free base

>  <CAS> (432)
1622902-68-4

>  <URL> (432)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/10202017462D

  9  9  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C5H7N3O

>  <MolWeight> (433)
125.12858

>  <Cat> (433)
S6021

>  <Name> (433)
5-Methylcytosine

>  <Synonyms> (433)
N/A

>  <Target> (433)
Others

>  <Form> (433)
free base

>  <CAS> (433)
554-01-8

>  <URL> (433)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/10202017462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2350    4.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    1.0772    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 11 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 12  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
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C21H19ClNO4+

>  <MolWeight> (434)
384.83286

>  <Cat> (434)
S1292

>  <Name> (434)
Chelerythrine Chloride

>  <Synonyms> (434)
N/A

>  <Target> (434)
PKC

>  <Form> (434)
Chloride

>  <CAS> (434)
3895-92-9

>  <URL> (434)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/10202017462D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0049    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
  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
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  3 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C18H20FN3O4

>  <MolWeight> (435)
361.3675032

>  <Cat> (435)
S1463

>  <Name> (435)
Ofloxacin

>  <Synonyms> (435)
DL8280

>  <Target> (435)
Topoisomerase

>  <Form> (435)
Free Base

>  <CAS> (435)
82419-36-1

>  <URL> (435)
http://www.selleck.cn/products/Ofloxacin(Floxin).html

$$$$

csChFnd80/10202017462D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.7741    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882    0.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1868    4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868    6.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9613    6.9908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2200    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C18H21F2N7O

>  <MolWeight> (436)
389.4024464

>  <Cat> (436)
S8804

>  <Name> (436)
PF-06700841

>  <Synonyms> (436)
PF-841

>  <Target> (436)
JAK

>  <Form> (436)
Free Base

>  <CAS> (436)
1883299-62-4

>  <URL> (436)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/10202017462D

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    7.7000    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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    9.8000    0.0000 O   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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 O   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
   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
   15.7617    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 15 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 15  1  0  0  0  0
 35 36  1  0  0  0  0
 33 37  1  0  0  0  0
 22 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C33H31Cl2N3O5

>  <MolWeight> (437)
620.52234

>  <Cat> (437)
S8846

>  <Name> (437)
compound 3i (666-15)

>  <Synonyms> (437)
N/A

>  <Target> (437)
Epigenetic Reader Do

>  <Form> (437)
Free Base

>  <CAS> (437)
1433286-70-4

>  <URL> (437)
http://www.selleck.cn/products/compound-3i.html

$$$$

csChFnd80/10202017462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (438)
438

>  <Formula> (438)
C23H21N5O3

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415.44454

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S2780

>  <Name> (438)
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>  <Synonyms> (438)
N/A

>  <Target> (438)
Epigenetic Reader Do

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Free Base

>  <CAS> (438)
1300031-49-5

>  <URL> (438)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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csChFnd80/10202017462D

 13 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C6H13NO5

>  <MolWeight> (439)
179.17112

>  <Cat> (439)
S6400

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Glucosamine

>  <Synonyms> (439)
2-amino-2-deoxy-D-glucose

>  <Target> (439)
Others

>  <Form> (439)
Free Base

>  <CAS> (439)
3416-24-8

>  <URL> (439)
http://www.selleck.cn/products/glucosamine.html

$$$$

csChFnd80/10202017462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
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>  <Mol_ID> (440)
440

>  <Formula> (440)
C23H19NO3

>  <MolWeight> (440)
357.40186

>  <Cat> (440)
S6424

>  <Name> (440)
TAS-301

>  <Synonyms> (440)
N/A

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <CAS> (440)
193620-69-8

>  <URL> (440)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/10202017462D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C17H18F2N2O

>  <MolWeight> (441)
304.3344264

>  <Cat> (441)
S2132

>  <Name> (441)
SR4370

>  <Synonyms> (441)
N/A

>  <Target> (441)
HDAC

>  <Form> (441)
Free Base

>  <CAS> (441)
1816294-67-3

>  <URL> (441)
http://www.selleck.cn/products/sr4370.html

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csChFnd80/10202017462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  7  8  3  0  0  0  0
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>  <Mol_ID> (442)
442

>  <Formula> (442)
C23H18N6O2

>  <MolWeight> (442)
410.42802

>  <Cat> (442)
S7137

>  <Name> (442)
GLPG0634 analogue

>  <Synonyms> (442)
N/A

>  <Target> (442)
JAK

>  <Form> (442)
Free Base

>  <CAS> (442)
1206101-20-3

>  <URL> (442)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/10202017462D

 40 44  0  0  0  0  0  0  0  0999 V2000
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443

>  <Formula> (443)
C31H39N7O2

>  <MolWeight> (443)
541.68706

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S7164

>  <Name> (443)
GSK343

>  <Synonyms> (443)
N/A

>  <Target> (443)
Histone Methyltransf

>  <Form> (443)
Free Base

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1346704-33-3

>  <URL> (443)
http://www.selleck.cn/products/gsk343.html

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>  <Mol_ID> (444)
444

>  <Formula> (444)
C19H18N4O3

>  <MolWeight> (444)
350.37122

>  <Cat> (444)
S8684

>  <Name> (444)
Selective JAK3 inhibitor 1

>  <Synonyms> (444)
N/A

>  <Target> (444)
JAK

>  <Form> (444)
Free Base

>  <CAS> (444)
1443235-95-7

>  <URL> (444)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

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csChFnd80/10202017462D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (445)
445

>  <Formula> (445)
C26H22N4O3

>  <MolWeight> (445)
438.47788

>  <Cat> (445)
S8739

>  <Name> (445)
PLX51107

>  <Synonyms> (445)
N/A

>  <Target> (445)
Epigenetic Reader Do

>  <Form> (445)
Free Base

>  <CAS> (445)
1627929-55-8

>  <URL> (445)
http://www.selleck.cn/products/plx51107.html

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>  <Mol_ID> (446)
446

>  <Formula> (446)
C19H16N4O3

>  <MolWeight> (446)
348.35534

>  <Cat> (446)
S8753

>  <Name> (446)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (446)
N/A

>  <Target> (446)
Epigenetic Reader Do

>  <Form> (446)
Free Base

>  <CAS> (446)
1628607-64-6

>  <URL> (446)
http://www.selleck.cn/products/incb054329.html

$$$$

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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  2 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C19H28Cl2N4O2

>  <MolWeight> (447)
415.35722

>  <Cat> (447)
S8769

>  <Name> (447)
Tinostamustine(EDO-S101)

>  <Synonyms> (447)
N/A

>  <Target> (447)
HDAC

>  <Form> (447)
Free Base

>  <CAS> (447)
1236199-60-2

>  <URL> (447)
http://www.selleck.cn/products/tinostamustine.html

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csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 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
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 17 18  2  0  0  0  0
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 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C14H14ClFN8

>  <MolWeight> (448)
348.7659632

>  <Cat> (448)
S2162

>  <Name> (448)
AZD1480

>  <Synonyms> (448)
N/A

>  <Target> (448)
JAK

>  <Form> (448)
free base

>  <CAS> (448)
935666-88-9

>  <URL> (448)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/10202017462D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8 14  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C13H13NO3S

>  <MolWeight> (449)
263.31222

>  <Cat> (449)
S6497

>  <Name> (449)
SMI-16a

>  <Synonyms> (449)
N/A

>  <Target> (449)
Pim

>  <Form> (449)
free base

>  <CAS> (449)
587852-28-6

>  <URL> (449)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/10202017462D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    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
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  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
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 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> (450)
450

>  <Formula> (450)
C16H15N3O2

>  <MolWeight> (450)
281.3092

>  <Cat> (450)
S6521

>  <Name> (450)
WHI-P258

>  <Synonyms> (450)
N/A

>  <Target> (450)
JAK

>  <Form> (450)
free base

>  <CAS> (450)
21561-09-1

>  <URL> (450)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/10202017462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  2  0  0  0  0
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  4 14  1  0  0  0  0
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  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C23H24N2O

>  <MolWeight> (451)
344.44946

>  <Cat> (451)
S6524

>  <Name> (451)
NSC 42834

>  <Synonyms> (451)
JAK2 Inhibitor V

>  <Target> (451)
JAK

>  <Form> (451)
free base

>  <CAS> (451)
195371-52-9

>  <URL> (451)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/10202017462D

 32 34  0  0  0  0  0  0  0  0999 V2000
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   10.9119    7.0000    0.0000 O   0  5  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
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
 12 23  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C20H25F3N6O3

>  <MolWeight> (452)
454.4461096

>  <Cat> (452)
S6577

>  <Name> (452)
PKC-theta inhibitor

>  <Synonyms> (452)
N/A

>  <Target> (452)
PKC

>  <Form> (452)
free base

>  <CAS> (452)
736048-65-0

>  <URL> (452)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1028    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7735    5.6538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C18H23ClN4O

>  <MolWeight> (453)
346.85442

>  <Cat> (453)
S8438

>  <Name> (453)
T-3775440 HCl

>  <Synonyms> (453)
N/A

>  <Target> (453)
Histone Demethylase

>  <Form> (453)
HCl

>  <CAS> (453)
1422535-52-1

>  <URL> (453)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/10202017462D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   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
    3.6373    4.2000    0.0000 N   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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 O   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    4.2000    0.0000 O   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
   10.9119    4.2000    0.0000 C   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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C21H24N4O4

>  <MolWeight> (454)
396.43966

>  <Cat> (454)
S8743

>  <Name> (454)
SKLB-23bb

>  <Synonyms> (454)
N/A

>  <Target> (454)
HDAC

>  <Form> (454)
free base

>  <CAS> (454)
1815580-06-3

>  <URL> (454)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/10202017462D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8002    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
    6.0623    2.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8002    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
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  6  8  1  0  0  0  0
  9 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 11 15  1  0  0  0  0
  5  6  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C14H11ClN2O4

>  <MolWeight> (455)
306.70114

>  <Cat> (455)
S6490

>  <Name> (455)
Vadadustat

>  <Synonyms> (455)
AKB-6548, B-506, PG-1016548

>  <Target> (455)
HIF

>  <Form> (455)
Free Base

>  <CAS> (455)
1000025-07-9

>  <URL> (455)
http://www.selleck.cn/products/vadadustat.html

$$$$

csChFnd80/10202017462D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    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
    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
   13.3368    5.6000    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
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C20H17FN2O3S

>  <MolWeight> (456)
384.4239832

>  <Cat> (456)
S6655

>  <Name> (456)
WM-8014

>  <Synonyms> (456)
N/A

>  <Target> (456)
Histone Acetyltransf

>  <Form> (456)
Free Base

>  <CAS> (456)
2055397-18-5

>  <URL> (456)
http://www.selleck.cn/products/wm-8014.html

$$$$

csChFnd80/10202017462D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C25H19N5OS2

>  <MolWeight> (461)
469.58126

>  <Cat> (461)
S6744

>  <Name> (461)
Inauhzin

>  <Synonyms> (461)
N/A

>  <Target> (461)
Sirtuin

>  <Form> (461)
Free Base

>  <CAS> (461)
309271-94-1

>  <URL> (461)
http://www.selleck.cn/products/inauhzin.html

$$$$

csChFnd80/10202017462D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
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 23 24  1  0  0  0  0
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 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C25H26N2O5

>  <MolWeight> (462)
434.48434

>  <Cat> (462)
S6745

>  <Name> (462)
JW55

>  <Synonyms> (462)
N/A

>  <Target> (462)
Wnt/beta-catenin

>  <Form> (462)
Free Base

>  <CAS> (462)
664993-53-7

>  <URL> (462)
http://www.selleck.cn/products/jw55.html

$$$$

csChFnd80/10202017462D

 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
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   10.9465    6.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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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 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
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 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
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 18 19  1  0  0  0  0
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 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
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 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> (463)
463

>  <Formula> (463)
C27H36N2O5

>  <MolWeight> (463)
468.58514

>  <Cat> (463)
S6758

>  <Name> (463)
I-CBP112

>  <Synonyms> (463)
N/A

>  <Target> (463)
Epigenetic Reader Do

>  <Form> (463)
Free Base

>  <CAS> (463)
1640282-31-0

>  <URL> (463)
http://www.selleck.cn/products/i-cbp112.html

$$$$

csChFnd80/10202017462D

 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
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   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (464)
464

>  <Formula> (464)
C21H25N3O4

>  <MolWeight> (464)
383.4409

>  <Cat> (464)
S2184

>  <Name> (464)
WDR5-0103

>  <Synonyms> (464)
WD-Repeat Protein 5-0103

>  <Target> (464)
Histone Methyltransferase

>  <Form> (464)
Free Base

>  <CAS> (464)
890190-22-4

>  <URL> (464)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/10202017462D

 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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C18H37NO2

>  <MolWeight> (465)
299.49188

>  <Cat> (465)
S2210

>  <Name> (465)
Sphingosine

>  <Synonyms> (465)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (465)
Others

>  <Form> (465)
Free Base

>  <CAS> (465)
123-78-4

>  <URL> (465)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/10202017462D

 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
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 11  6  1  6  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C11H15ClN2O5

>  <MolWeight> (466)
290.7002

>  <Cat> (466)
S2935

>  <Name> (466)
Nicotinamide Riboside Chloride

>  <Synonyms> (466)
N/A

>  <Target> (466)
Others

>  <Form> (466)
Chloride

>  <CAS> (466)
23111-00-4

>  <URL> (466)
http://www.selleck.cn/products/nicotinamide-riboside-chloride.html

$$$$

csChFnd80/10202017462D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 12 17  2  0  0  0  0
 11 12  1  0  0  0  0
 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C19H23N3O2

>  <MolWeight> (467)
325.40482

>  <Cat> (467)
S6548

>  <Name> (467)
NKL 22

>  <Synonyms> (467)
N/A

>  <Target> (467)
HDAC

>  <Form> (467)
Free Base

>  <CAS> (467)
537034-15-4

>  <URL> (467)
http://www.selleck.cn/products/nkl-22.html

$$$$

csChFnd80/10202017462D

 25 25  0  0  0  0  0  0  0  0999 V2000
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  1 25  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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 10 13  1  0  0  0  0
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M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C21H38N2OS

>  <MolWeight> (468)
366.60422

>  <Cat> (468)
S6687

>  <Name> (468)
SIS17

>  <Synonyms> (468)
N/A

>  <Target> (468)
HDAC

>  <Form> (468)
Free Base

>  <CAS> (468)
2374313-54-7

>  <URL> (468)
http://www.selleck.cn/products/sis17.html

$$$$

csChFnd80/10202017462D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C28H38N4O3

>  <MolWeight> (469)
478.62632

>  <Cat> (469)
S8812

>  <Name> (469)
CM272(CM-272)

>  <Synonyms> (469)
N/A

>  <Target> (469)
DNA Methyltransferase

>  <Form> (469)
Free Base

>  <CAS> (469)
1846570-31-7

>  <URL> (469)
http://www.selleck.cn/products/cm272-cm-272.html

$$$$

csChFnd80/10202017462D

 19 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (470)
470

>  <Formula> (470)
C16H13N3

>  <MolWeight> (470)
247.29452

>  <Cat> (470)
S8909

>  <Name> (470)
UBCS039

>  <Synonyms> (470)
N/A

>  <Target> (470)
Sirtuin

>  <Form> (470)
Free Base

>  <CAS> (470)
358721-70-7

>  <URL> (470)
http://www.selleck.cn/products/ubcs039.html

$$$$

csChFnd80/10202017462D

 51 56  0  0  0  0  0  0  0  0999 V2000
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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
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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
 24 29  1  6  0  0  0
 23 30  1  1  0  0  0
 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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 37 32  1  0  0  0  0
 37 38  1  6  0  0  0
 36 39  1  6  0  0  0
 35 40  1  1  0  0  0
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M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C33H40O18

>  <MolWeight> (471)
724.6599

>  <Cat> (471)
S9096

>  <Name> (471)
ligustroflavone

>  <Synonyms> (471)
Nuezhenoside

>  <Target> (471)
AMPK

>  <Form> (471)
Free Base

>  <CAS> (471)
260413-62-5

>  <URL> (471)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/10202017462D

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M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C42H66O14

>  <MolWeight> (472)
794.96504

>  <Cat> (472)
S9116

>  <Name> (472)
Chikusetsusaponin Iva

>  <Synonyms> (472)
Calenduloside F

>  <Target> (472)
Immunology & Inflammation related

>  <Form> (472)
Free Base

>  <CAS> (472)
51415-02-2

>  <URL> (472)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C15H16N6O3

>  <MolWeight> (473)
328.32594

>  <Cat> (473)
S6684

>  <Name> (473)
IOX4

>  <Synonyms> (473)
N/A

>  <Target> (473)
HIF

>  <Form> (473)
Free Base

>  <CAS> (473)
1154097-71-8

>  <URL> (473)
http://www.selleck.cn/products/iox4.html

$$$$

csChFnd80/10202017462D

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M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C9H12FN3O4

>  <MolWeight> (474)
245.2076832

>  <Cat> (474)
S2477

>  <Name> (474)
2'-Deoxy-5-Fluorocytidine

>  <Synonyms> (474)
5-fluoro-2(')-deoxycytidine, FCdR

>  <Target> (474)
DNA Methyltransferas

>  <Form> (474)
Free Base

>  <CAS> (474)
10356-76-0

>  <URL> (474)
http://www.selleckchem.com/products/2-feoxy-5-fluorocytidine.html

$$$$

csChFnd80/10202017462D

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M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C46H51F3N6O8S2

>  <MolWeight> (475)
937.0577496

>  <Cat> (475)
S8953

>  <Name> (475)
ASP4132

>  <Synonyms> (475)
N/A

>  <Target> (475)
AMPK

>  <Form> (475)
Free Base

>  <CAS> (475)
1640294-30-9

>  <URL> (475)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/10202017462D

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M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C26H23N5O2

>  <MolWeight> (476)
437.49312

>  <Cat> (476)
S8961

>  <Name> (476)
Alobresib (GS-5829)

>  <Synonyms> (476)
N/A

>  <Target> (476)
Epigenetic Reader Do

>  <Form> (476)
Free Base

>  <CAS> (476)
1637771-14-2

>  <URL> (476)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/10202017462D

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>  <Formula> (477)
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>  <Target> (477)
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Free Base

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1550053-02-5

>  <URL> (477)
http://www.selleckchem.com/products/brd3308.html

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 30 33  0  0  0  0  0  0  0  0999 V2000
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478

>  <Formula> (478)
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>  <MolWeight> (478)
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>  <Synonyms> (478)
N/A

>  <Target> (478)
Pim

>  <Form> (478)
Free Base

>  <CAS> (478)
1361951-15-6

>  <URL> (478)
http://www.selleckchem.com/products/tp-3654.html

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csChFnd80/10202017462D

 30 34  0  0  0  0  0  0  0  0999 V2000
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479

>  <Formula> (479)
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>  <MolWeight> (479)
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>  <Cat> (479)
S8876

>  <Name> (479)
RK-287107

>  <Synonyms> (479)
N/A

>  <Target> (479)
PARP

>  <Form> (479)
Free Base

>  <CAS> (479)
2171386-10-8

>  <URL> (479)
http://www.selleckchem.com/products/pk-287107.html

$$$$

csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (480)
480

>  <Formula> (480)
C17H19N3O2

>  <MolWeight> (480)
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>  <Cat> (480)
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>  <Name> (480)
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>  <Synonyms> (480)
N/A

>  <Target> (480)
PRMT

>  <Form> (480)
Free Base

>  <CAS> (480)
1624117-53-8

>  <URL> (480)
http://www.selleckchem.com/products/xy1.html

$$$$

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>  <Synonyms> (481)
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>  <Target> (481)
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>  <CAS> (481)
936091-56-4

>  <URL> (481)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/10202017462D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 N   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
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  3  0  0  0  0
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  3  9  1  0  0  0  0
  1 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C18H11BrN2O2

>  <MolWeight> (482)
367.19614

>  <Cat> (482)
S1050

>  <Name> (482)
TCS PIM-1 1 

>  <Synonyms> (482)
SC 204330

>  <Target> (482)
Pim

>  <Form> (482)
Free Base

>  <CAS> (482)
491871-58-0

>  <URL> (482)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

csChFnd80/10202017462D

 12 11  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
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 S   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
    4.8497    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 S   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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C6H12N2S4

>  <MolWeight> (483)
240.43288

>  <Cat> (483)
S2431

>  <Name> (483)
Tetramethylthiuram disulfide

>  <Synonyms> (483)
Tetramethyl thiuram disulfide, Bis (dimethyldithiocarbamoyl) disulfide, Thiram, Thiuram

>  <Target> (483)
HIF

>  <Form> (483)
Free Base

>  <CAS> (483)
137-26-8

>  <URL> (483)
http://www.selleckchem.com/products/tetramethylthiuram-disulfide.html

$$$$

csChFnd80/10202017462D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3416    2.8068    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0384    1.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6384    4.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540    3.5068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9765    4.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.0958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540    4.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9765    3.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7634    5.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1885    5.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1197    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9145    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1197    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9012    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    4.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 25 28  1  0  0  0  0
 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> (484)
484

>  <Formula> (484)
C20H23ClN4O4S

>  <MolWeight> (484)
450.93902

>  <Cat> (484)
S6722

>  <Name> (484)
Seclidemstat

>  <Synonyms> (484)
SP-2577 mesylate

>  <Target> (484)
LSD1

>  <Form> (484)
Free Base

>  <CAS> (484)
1423715-37-0

>  <URL> (484)
http://www.selleckchem.com/products/seclidemstat.html

$$$$

csChFnd80/10202017462D

 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
    1.2106    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    3.5025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4842    4.2035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    3.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2106    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    3.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9046    4.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    2.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  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
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C14H18BrN3O2

>  <MolWeight> (485)
340.21562

>  <Cat> (485)
S6833

>  <Name> (485)
BCI-121

>  <Synonyms> (485)
N/A

>  <Target> (485)
SMYD

>  <Form> (485)
Free Base

>  <CAS> (485)
432529-82-3

>  <URL> (485)
http://www.selleckchem.com/products/bcl-121.html

$$$$

csChFnd80/10202017462D

 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
   11.8421    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4164    4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8945    3.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2731    3.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9832    2.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117    2.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1373    3.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0413    5.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0734    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3867    4.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0773    1.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613    6.3404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4279    4.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525    3.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    4.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    2.2649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6406    1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    2.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    0.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    1.5634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    5.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    4.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    5.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    2.2306    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
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
  3  5  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  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  2  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 27 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 28 35  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (486)
486

>  <Formula> (486)
C30H28O8

>  <MolWeight> (486)
516.53852

>  <Cat> (486)
S7862

>  <Name> (486)
Rottlerin

>  <Synonyms> (486)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (486)
PKC

>  <Form> (486)
Free Base

>  <CAS> (486)
82-08-6

>  <URL> (486)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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 15 16  1  1  0  0  0
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 22 17  1  0  0  0  0
 13 23  1  6  0  0  0
 14 24  1  6  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (487)
487

>  <Formula> (487)
C17H18N4O4

>  <MolWeight> (487)
342.34922

>  <Cat> (487)
S8883

>  <Name> (487)
LLY-283

>  <Synonyms> (487)
N/A

>  <Target> (487)
PRMT

>  <Form> (487)
Free Base

>  <CAS> (487)
2040291-27-6

>  <URL> (487)
http://www.selleckchem.com/products/lly-283.html

$$$$

csChFnd80/10202017462D

 69 75  0  0  0  0  0  0  0  0999 V2000
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   38.4982    3.2960    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 26 69  1  0  0  0  0
M  END
>  <Mol_ID> (488)
488

>  <Formula> (488)
C49H60ClN9O8S2

>  <MolWeight> (488)
1002.6392

>  <Cat> (488)
S8889

>  <Name> (488)
MZ 1( MZ-1)

>  <Synonyms> (488)
N/A

>  <Target> (488)
Epigenetic Reader Do

>  <Form> (488)
Free Base

>  <CAS> (488)
1797406-69-9

>  <URL> (488)
http://www.selleckchem.com/products/mz-1.html

$$$$

csChFnd80/10202017462D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (489)
489

>  <Formula> (489)
C20H22ClF3N2O3

>  <MolWeight> (489)
430.8484896

>  <Cat> (489)
S0022

>  <Name> (489)
YF-2

>  <Target> (489)
Histone Acetyltransf

>  <Form> (489)
free base

>  <CAS> (489)
1311423-89-8

>  <URL> (489)
http://www.selleckchem.com/products/yf-2.html

$$$$

csChFnd80/10202017462D

 49 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C34H31ClN8O5S

>  <MolWeight> (490)
699.17854

>  <Cat> (490)
S0137

>  <Name> (490)
dBET57

>  <Target> (490)
Epigenetic Reader Do

>  <Form> (490)
free base

>  <CAS> (490)
1883863-52-2

>  <URL> (490)
http://www.selleckchem.com/products/dbet57.html

$$$$

csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  2  0  0  0  0
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M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C17H13ClN4

>  <MolWeight> (491)
308.76492

>  <Cat> (491)
S0201

>  <Name> (491)
Z-JIB-04 (NSC 693627)

>  <Target> (491)
Histone Demethylase

>  <Form> (491)
free base

>  <CAS> (491)
199596-24-2

>  <URL> (491)
http://www.selleckchem.com/products/z-jib-04-nsc-693627.html

$$$$

csChFnd80/10202017462D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  0  0  0  0
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>  <Mol_ID> (492)
492

>  <Formula> (492)
C22H22F3N3O4

>  <MolWeight> (492)
449.4229896

>  <Cat> (492)
S0709

>  <Name> (492)
Tubastatin A TFA

>  <Target> (492)
HDAC

>  <Form> (492)
trifluoroacetate

>  <CAS> (492)
1239262-52-2

>  <URL> (492)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/10202017462D

 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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 10 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C18H21N3OS

>  <MolWeight> (493)
327.44384

>  <Cat> (493)
S2176

>  <Name> (493)
Tenovin-3

>  <Target> (493)
Sirtuin

>  <Form> (493)
free base

>  <CAS> (493)
1011301-27-1

>  <URL> (493)
http://www.selleckchem.com/products/tenovin-3.html

$$$$

csChFnd80/10202017462D

 36 39  0  0  0  0  0  0  0  0999 V2000
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   11.0432    2.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0432    5.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    6.5277    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2556    2.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556    4.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    7.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    0.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    6.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5295    5.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3583    8.7150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    8.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0843    9.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2780    7.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5409    6.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6425    6.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    9.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    7.2478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    8.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    9.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9656    6.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853   10.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 27  1  0  0  0  0
  2 33  1  0  0  0  0
  3 28  1  0  0  0  0
  3 34  1  0  0  0  0
  4 31  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 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 14  1  0  0  0  0
  7 17  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  1  0  0  0
  9 12  1  0  0  0  0
  9 15  1  6  0  0  0
 10 11  1  1  0  0  0
 10 16  1  0  0  0  0
 17 13  1  6  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 23  2  0  0  0  0
 20 25  1  0  0  0  0
 20 29  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 27 28  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
M  END
>  <Mol_ID> (494)
494

>  <Formula> (494)
C29H41ClN2O4

>  <MolWeight> (494)
517.09984

>  <Cat> (494)
S3233

>  <Name> (494)
Emetine hydrochloride

>  <Target> (494)
HIF

>  <Form> (494)
hydrochloride

>  <CAS> (494)
14198-59-5

>  <URL> (494)
http://www.selleckchem.com/products/emetine-hydrochloride.html

$$$$

csChFnd80/10202017462D

 37 39  0  0  0  0  0  0  0  0999 V2000
    2.4907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0907    9.9985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.2725    7.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7559    6.3968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    5.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1963    8.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8309    2.1338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3695    6.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3110    3.5629    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3110    2.1047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8309    3.5338    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5793    4.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5793    1.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    1.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    4.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    5.6674    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2556    2.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2556    3.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    6.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1067    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0208    5.6918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5295    4.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3583    7.8548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (495)
495

>  <Formula> (495)
C29H42Cl2N2O4

>  <MolWeight> (495)
553.56078

>  <Cat> (495)
S3239

>  <Name> (495)
Emetine Dihydrochloride

>  <Target> (495)
HIF

>  <Form> (495)
Dihydrochloride

>  <CAS> (495)
316-42-7

>  <URL> (495)
http://www.selleckchem.com/products/emetine-dihydrochloride.html

$$$$

csChFnd80/10202017462D

 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> (496)
496

>  <Formula> (496)
C16H18O9

>  <MolWeight> (496)
354.30872

>  <Cat> (496)
S3262

>  <Name> (496)
Scopolin

>  <Target> (496)
Sirtuin

>  <Form> (496)
free base

>  <CAS> (496)
531-44-2

>  <URL> (496)
http://www.selleckchem.com/products/scopolin.html

$$$$

csChFnd80/10202017462D

 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
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    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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> (497)
497

>  <Formula> (497)
C27H30O15

>  <MolWeight> (497)
594.5181

>  <Cat> (497)
S3267

>  <Name> (497)
Kaempferol-3-O-rutinoside

>  <Target> (497)
Apoptosis related

>  <Form> (497)
free base

>  <CAS> (497)
17650-84-9

>  <URL> (497)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10202017462D

 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
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   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
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (498)
498

>  <Formula> (498)
C30H16O8

>  <MolWeight> (498)
504.44324

>  <Cat> (498)
S3273

>  <Name> (498)
Hypericin

>  <Target> (498)
MAO

>  <Form> (498)
free base

>  <CAS> (498)
548-04-9

>  <URL> (498)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/10202017462D

 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
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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> (499)
499

>  <Formula> (499)
C19H12O7

>  <MolWeight> (499)
352.29438

>  <Cat> (499)
S3289

>  <Name> (499)
Daphnoretin

>  <Target> (499)
PKC

>  <Form> (499)
free base

>  <CAS> (499)
2034-69-7

>  <URL> (499)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/10202017462D

 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
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    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> (500)
500

>  <Formula> (500)
C16H12O6

>  <MolWeight> (500)
300.26288

>  <Cat> (500)
S3296

>  <Name> (500)
Hispidulin

>  <Target> (500)
Pim

>  <Form> (500)
free base

>  <CAS> (500)
1447-88-7

>  <URL> (500)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/10202017462D

 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
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    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> (501)
501

>  <Formula> (501)
C19H18NO4+

>  <MolWeight> (501)
324.35052

>  <Cat> (501)
S3299

>  <Name> (501)
Demethyleneberberine

>  <Target> (501)
Peroxidases

>  <Form> (501)
free base

>  <CAS> (501)
25459-91-0

>  <URL> (501)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/10202017462D

 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> (502)
502

>  <Formula> (502)
C26H29N5O4S

>  <MolWeight> (502)
507.60456

>  <Cat> (502)
S6880

>  <Name> (502)
SRT-1460

>  <Target> (502)
Sirtuin

>  <Form> (502)
free base

>  <CAS> (502)
925432-73-1

>  <URL> (502)
http://www.selleckchem.com/products/srt-1460.html

$$$$

csChFnd80/10202017462D

 27 31  0  0  0  0  0  0  0  0999 V2000
   12.5734    4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2734    5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6403    5.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5150    3.3629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1859    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6165    2.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630    5.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    2.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    3.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    4.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6516    5.1910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    5.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2292    2.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583    3.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2065    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1389    6.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9706    5.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115    3.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0204    3.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  9 18  2  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 26 27  3  0  0  0  0
 19 26  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C20H11N5OS

>  <MolWeight> (503)
369.39924

>  <Cat> (503)
S6882

>  <Name> (503)
HI-TOPK-032

>  <Target> (503)
TOPK

>  <Form> (503)
free base

>  <CAS> (503)
487020-03-1

>  <URL> (503)
http://www.selleckchem.com/products/hi-topk-032.html

$$$$

csChFnd80/10202017462D

 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
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    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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> (504)
504

>  <Formula> (504)
C6H6N4

>  <MolWeight> (504)
134.13864

>  <Cat> (504)
S6886

>  <Name> (504)
1-Aminobenzotriazole

>  <Target> (504)
P450 (e.g. CYP17)

>  <Form> (504)
free base

>  <CAS> (504)
1614-12-6

>  <URL> (504)
http://www.selleckchem.com/products/1-aminobenzotriazole.html

$$$$

csChFnd80/10202017462D

 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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   10.6424    3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8212    4.5466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0433    3.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2491    5.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8562    2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8444    4.5487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1916    4.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1916    2.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4006    2.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6035    2.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6035    4.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4029    4.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4036    5.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2852    6.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5969    7.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5052    8.3548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
 16  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 17  1  0  0  0  0
 10 12  1  0  0  0  0
 12  4  1  0  0  0  0
 12 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 26  1  0  0  0  0
 25 24  1  0  0  0  0
 24 21  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 24 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 32  1  0  0  0  0
  1 35  1  1  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C27H32ClN5O3

>  <MolWeight> (505)
510.02768

>  <Cat> (505)
S7803

>  <Name> (505)
GSK484 HCl

>  <Target> (505)
PAD

>  <Form> (505)
hydrochloride

>  <CAS> (505)
1652591-81-5

>  <URL> (505)
http://www.selleckchem.com/products/gsk484-hcl.html

$$$$

csChFnd80/10202017462D

 37 40  0  0  0  0  0  0  0  0999 V2000
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    8.8168    6.1715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6043    5.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    1.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3877    2.7433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    2.7433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2877    3.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5877    5.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5757    3.2806    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
  4  5  1  0  0  0  0
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 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 13 20  1  0  0  0  0
  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
  4 22  1  6  0  0  0
 23 24  1  0  0  0  0
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2097381-85-4

>  <URL> (506)
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>  <Formula> (507)
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>  <MolWeight> (507)
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Epigenetic Reader Do

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free base

>  <CAS> (507)
1660117-38-3

>  <URL> (507)
http://www.selleckchem.com/products/bi894999.html

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508

>  <Formula> (508)
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>  <MolWeight> (508)
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>  <CAS> (508)
2225938-17-8

>  <URL> (508)
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csChFnd80/10202017462D

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2360851-29-0

>  <URL> (509)
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csChFnd80/10202017462D

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0

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csChFnd80/10202017462D

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>  <MolWeight> (512)
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No

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WAY-312666
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>  <Synonyms> (513)
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>  <Target> (513)
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>  <Form> (513)
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>  <URL> (513)
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WAY-311318
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (514)
514

>  <Formula> (514)
C26H24N2O3

>  <MolWeight> (514)
412.48036

>  <Cat> (514)
P3591

>  <Name> (514)
WAY-311318

>  <Synonyms> (514)
N/A

>  <Target> (514)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (514)
free base

>  <CAS> (514)
333314-79-7

>  <URL> (514)
N/A

$$$$
WAY-312461
csChFnd80/10202017462D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C25H22N2O4

>  <MolWeight> (515)
414.45318

>  <Cat> (515)
P3593

>  <Name> (515)
WAY-312461

>  <Synonyms> (515)
N/A

>  <Target> (515)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (515)
free base

>  <CAS> (515)
420827-50-5

>  <URL> (515)
N/A

$$$$
WAY-311581
csChFnd80/10202017462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 22  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C23H25N3O4

>  <MolWeight> (516)
407.4623

>  <Cat> (516)
P3592

>  <Name> (516)
WAY-311581

>  <Synonyms> (516)
N/A

>  <Target> (516)
SIRT3

>  <Form> (516)
free base

>  <CAS> (516)
332125-86-7

>  <URL> (516)
N/A

$$$$
WAY-310766
csChFnd80/10202017462D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C17H28N6O2

>  <MolWeight> (517)
348.44322

>  <Cat> (517)
P3590

>  <Name> (517)
WAY-310766

>  <Synonyms> (517)
N/A

>  <Target> (517)
PKC¦Â,PARP-1

>  <Form> (517)
free base

>  <CAS> (517)
442864-84-8

>  <URL> (517)
N/A

$$$$
WAY-118959-A
csChFnd80/10202017462D

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 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
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M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C16H14N4OS2

>  <MolWeight> (518)
342.43856

>  <Cat> (518)
P3545

>  <Name> (518)
WAY-118959-A

>  <Synonyms> (518)
N/A

>  <Target> (518)
others

>  <Form> (518)
free base

>  <CAS> (518)
315703-81-2

>  <URL> (518)
N/A

$$$$
WAY-249486
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (519)
519

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C13H11ClN2O2S

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294.75664

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WAY-249486

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N/A

>  <Target> (519)
HDAC

>  <Form> (519)
free base

>  <CAS> (519)
119730-10-8

>  <URL> (519)
N/A

$$$$
WAY-296712
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C12H10N2O2

>  <MolWeight> (520)
214.22

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P3560

>  <Name> (520)
WAY-296712

>  <Synonyms> (520)
N/A

>  <Target> (520)
histone deacetylase

>  <Form> (520)
free base

>  <CAS> (520)
88530-99-8

>  <URL> (520)
N/A

$$$$
WAY-297285
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C19H23N3O3S

>  <MolWeight> (521)
373.46922

>  <Cat> (521)
P3561

>  <Name> (521)
WAY-297285

>  <Synonyms> (521)
N/A

>  <Target> (521)
others

>  <Form> (521)
free base

>  <CAS> (521)
314043-73-7

>  <URL> (521)
N/A

$$$$
WAY-297357
csChFnd80/10202017462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C22H19N3O5

>  <MolWeight> (522)
405.40336

>  <Cat> (522)
P3562

>  <Name> (522)
WAY-297357

>  <Synonyms> (522)
N/A

>  <Target> (522)
SIRT1

>  <Form> (522)
free base

>  <CAS> (522)
312943-99-0

>  <URL> (522)
N/A

$$$$
CL-406156
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C19H22N2O2

>  <MolWeight> (523)
310.39018

>  <Cat> (523)
P3540

>  <Name> (523)
CL-406156

>  <Synonyms> (523)
N/A

>  <Target> (523)
DNA Methyltransferase 1

>  <Form> (523)
free base

>  <CAS> (523)
91324-16-2

>  <URL> (523)
N/A

$$$$
WAY-234636
csChFnd80/10202017462D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    2.4450    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C16H12N4O2

>  <MolWeight> (524)
292.29208

>  <Cat> (524)
P3547

>  <Name> (524)
WAY-234636

>  <Synonyms> (524)
N/A

>  <Target> (524)
Androgen Receptor

>  <Form> (524)
free base

>  <CAS> (524)
55589-09-8

>  <URL> (524)
N/A

$$$$
WAY-298378
csChFnd80/10202017462D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 17 18  1  0  0  0  0
  6  7  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C12H12N2O3S

>  <MolWeight> (525)
264.30028

>  <Cat> (525)
P3563

>  <Name> (525)
WAY-298378

>  <Synonyms> (525)
N/A

>  <Target> (525)
AMPK

>  <Form> (525)
free base

>  <CAS> (525)
335398-80-6

>  <URL> (525)
N/A

$$$$
WAY-298477
csChFnd80/10202017462D

 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
   13.2038    5.0748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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> (526)
526

>  <Formula> (526)
C23H22N4O5

>  <MolWeight> (526)
434.44458

>  <Cat> (526)
P3564

>  <Name> (526)
WAY-298477

>  <Synonyms> (526)
N/A

>  <Target> (526)
PKC-b II and PKB dual 

>  <Form> (526)
free base

>  <CAS> (526)
1353673-63-8

>  <URL> (526)
N/A

$$$$
WAY-298851
csChFnd80/10202017462D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   -1.4042    2.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8249    2.6544    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
  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
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 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
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 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> (527)
527

>  <Formula> (527)
C15H9ClO3

>  <MolWeight> (527)
272.68316

>  <Cat> (527)
P3565

>  <Name> (527)
WAY-298851

>  <Synonyms> (527)
N/A

>  <Target> (527)
Pim-1,Anti-infection

>  <Form> (527)
free base

>  <CAS> (527)
53391-72-3

>  <URL> (527)
N/A

$$$$
WAY-299178
csChFnd80/10202017462D

 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  2  1  0  0  0  0
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 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> (528)
528

>  <Formula> (528)
C18H19N3O

>  <MolWeight> (528)
293.36296

>  <Cat> (528)
P3566

>  <Name> (528)
WAY-299178

>  <Synonyms> (528)
N/A

>  <Target> (528)
HDAC

>  <Form> (528)
free base

>  <CAS> (528)
1031349-21-9

>  <URL> (528)
N/A

$$$$
WAY-299510
csChFnd80/10202017462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 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
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 19 21  2  0  0  0  0
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  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> (529)
529

>  <Formula> (529)
C16H17N5O2

>  <MolWeight> (529)
311.33848

>  <Cat> (529)
P3567

>  <Name> (529)
WAY-299510

>  <Synonyms> (529)
N/A

>  <Target> (529)
Anti-infection,STAT3

>  <Form> (529)
free base

>  <CAS> (529)
1007998-55-1

>  <URL> (529)
N/A

$$$$
WAY-325090
csChFnd80/10202017462D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
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 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
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 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
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 23 11  1  0  0  0  0
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  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C19H15N3O2S2

>  <MolWeight> (530)
381.4713

>  <Cat> (530)
P3617

>  <Name> (530)
WAY-325090

>  <Synonyms> (530)
N/A

>  <Target> (530)
microRNA

>  <Form> (530)
free base

>  <CAS> (530)
1008280-11-2

>  <URL> (530)
N/A

$$$$
CL-414715
csChFnd80/10202017462D

 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
    3.2621   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  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
 16 19  1  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
  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> (531)
531

>  <Formula> (531)
C15H15N3O4

>  <MolWeight> (531)
301.2973

>  <Cat> (531)
P3541

>  <Name> (531)
CL-414715

>  <Synonyms> (531)
N/A

>  <Target> (531)
EZH2

>  <Form> (531)
free base

>  <CAS> (531)
107392-68-7

>  <URL> (531)
N/A

$$$$
CL-418030
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0426   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6730    3.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C19H20N4OS

>  <MolWeight> (532)
352.4533

>  <Cat> (532)
P3542

>  <Name> (532)
CL-418030

>  <Synonyms> (532)
N/A

>  <Target> (532)
MLL protein and menin interaction,P2Y12 re

>  <Form> (532)
free base

>  <CAS> (532)
1093748-54-9

>  <URL> (532)
N/A

$$$$
GI-558744
csChFnd80/10202017462D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    5.1136   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 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> (533)
533

>  <Formula> (533)
C14H9NO3

>  <MolWeight> (533)
239.22616

>  <Cat> (533)
P3543

>  <Name> (533)
GI-558744

>  <Synonyms> (533)
N/A

>  <Target> (533)
HIF PHD,Anti-infection

>  <Form> (533)
free base

>  <CAS> (533)
1164452-80-5

>  <URL> (533)
N/A

$$$$
WAY-223539
csChFnd80/10202017462D

 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
   -1.5583   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    0.4245    2.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
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  9 12  1  0  0  0  0
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  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C14H15NO4

>  <MolWeight> (534)
261.2732

>  <Cat> (534)
P3546

>  <Name> (534)
WAY-223539

>  <Synonyms> (534)
N/A

>  <Target> (534)
BRD4

>  <Form> (534)
free base

>  <CAS> (534)
13729-79-8

>  <URL> (534)
N/A

$$$$
WAY-299582
csChFnd80/10202017462D

 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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M  END
>  <Mol_ID> (535)
535

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C8H12FN5O

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>  <Name> (535)
WAY-299582

>  <Synonyms> (535)
N/A

>  <Target> (535)
KDM5A

>  <Form> (535)
free base

>  <CAS> (535)
118121-89-4

>  <URL> (535)
N/A

$$$$
WAY-299727
csChFnd80/10202017462D

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  5  6  2  0  0  0  0
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M  END
>  <Mol_ID> (536)
536

>  <Formula> (536)
C18H15N3O3S

>  <MolWeight> (536)
353.395

>  <Cat> (536)
P3569

>  <Name> (536)
WAY-299727

>  <Synonyms> (536)
N/A

>  <Target> (536)
histone deacetylase

>  <Form> (536)
free base

>  <CAS> (536)
332169-78-5

>  <URL> (536)
N/A

$$$$
WAY-299788
csChFnd80/10202017462D

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  2  5  1  0  0  0  0
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (537)
537

>  <Formula> (537)
C12H18N6O2

>  <MolWeight> (537)
278.31032

>  <Cat> (537)
P3570

>  <Name> (537)
WAY-299788

>  <Synonyms> (537)
N/A

>  <Target> (537)
PARP

>  <Form> (537)
free base

>  <CAS> (537)
50693-74-8

>  <URL> (537)
N/A

$$$$
WAY-299838
csChFnd80/10202017462D

 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
  2  5  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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  7 10  2  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (538)
538

>  <Formula> (538)
C18H19IN2O2

>  <MolWeight> (538)
422.26013

>  <Cat> (538)
P3571

>  <Name> (538)
WAY-299838

>  <Synonyms> (538)
N/A

>  <Target> (538)
HIF-1 

>  <Form> (538)
free base

>  <CAS> (538)
333357-56-5

>  <URL> (538)
N/A

$$$$
WAY-300386
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 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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M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C18H19N3O

>  <MolWeight> (539)
293.36296

>  <Cat> (539)
P3572

>  <Name> (539)
WAY-300386

>  <Synonyms> (539)
N/A

>  <Target> (539)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (539)
free base

>  <CAS> (539)
125009-81-6

>  <URL> (539)
N/A

$$$$
WAY-300488
csChFnd80/10202017462D

 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
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  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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 12 11  1  0  0  0  0
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 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C11H12N2S

>  <MolWeight> (540)
204.29138

>  <Cat> (540)
P3573

>  <Name> (540)
WAY-300488

>  <Synonyms> (540)
N/A

>  <Target> (540)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (540)
free base

>  <CAS> (540)
299953-94-9

>  <URL> (540)
N/A

$$$$
WAY-300662
csChFnd80/10202017462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C20H12Cl2N2O2S

>  <MolWeight> (541)
415.29248

>  <Cat> (541)
P3574

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WAY-300662

>  <Synonyms> (541)
N/A

>  <Target> (541)
Aurora Kinase

>  <Form> (541)
free base

>  <CAS> (541)
327051-69-4

>  <URL> (541)
N/A

$$$$
WAY-300856
csChFnd80/10202017462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C22H19N3OS

>  <MolWeight> (542)
373.47076

>  <Cat> (542)
P3575

>  <Name> (542)
WAY-300856

>  <Synonyms> (542)
N/A

>  <Target> (542)
Sirtuin,NRF2,p97

>  <Form> (542)
free base

>  <CAS> (542)
129544-85-0

>  <URL> (542)
N/A

$$$$
WAY-389228
csChFnd80/10202017462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 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
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 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C18H18N2O3

>  <MolWeight> (543)
310.34712

>  <Cat> (543)
P3638

>  <Name> (543)
WAY-389228

>  <Synonyms> (543)
N/A

>  <Target> (543)
others

>  <Form> (543)
free base

>  <CAS> (543)
300860-39-3

>  <URL> (543)
N/A

$$$$
WAY-389891
csChFnd80/10202017462D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C22H23ClFN3O3

>  <MolWeight> (544)
431.8877232

>  <Cat> (544)
P3639

>  <Name> (544)
WAY-389891

>  <Synonyms> (544)
N/A

>  <Target> (544)
Rtt109

>  <Form> (544)
free base

>  <CAS> (544)
327091-55-4

>  <URL> (544)
N/A

$$$$
WAY-302914
csChFnd80/10202017462D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C22H25N3O2

>  <MolWeight> (545)
363.4528

>  <Cat> (545)
P3576

>  <Name> (545)
WAY-302914

>  <Synonyms> (545)
N/A

>  <Target> (545)
others

>  <Form> (545)
free base

>  <CAS> (545)
313378-68-6

>  <URL> (545)
N/A

$$$$
WAY-303376
csChFnd80/10202017462D

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 17 20  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C23H23N5O2

>  <MolWeight> (546)
401.46102

>  <Cat> (546)
P3577

>  <Name> (546)
WAY-303376

>  <Synonyms> (546)
N/A

>  <Target> (546)
EZH2

>  <Form> (546)
free base

>  <CAS> (546)
500270-56-4

>  <URL> (546)
N/A

$$$$
WAY-303382
csChFnd80/10202017462D

 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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 11 14  1  0  0  0  0
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 21 24  1  0  0  0  0
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  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> (547)
547

>  <Formula> (547)
C19H21N5O

>  <MolWeight> (547)
335.40294

>  <Cat> (547)
P3578

>  <Name> (547)
WAY-303382

>  <Synonyms> (547)
N/A

>  <Target> (547)
STAT

>  <Form> (547)
free base

>  <CAS> (547)
487035-73-4

>  <URL> (547)
N/A

$$$$
WAY-303388
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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 10  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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 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> (548)
548

>  <Formula> (548)
C14H12N4O4

>  <MolWeight> (548)
300.26948

>  <Cat> (548)
P3579

>  <Name> (548)
WAY-303388

>  <Synonyms> (548)
N/A

>  <Target> (548)
EZH2

>  <Form> (548)
free base

>  <CAS> (548)
499210-92-3

>  <URL> (548)
N/A

$$$$
WAY-304388
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 25  7  1  0  0  0  0
  5 24  1  0  0  0  0
 25 12  1  0  0  0  0
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 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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 17 15  1  0  0  0  0
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 13 22  1  0  0  0  0
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 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C21H17N3O

>  <MolWeight> (549)
327.37918

>  <Cat> (549)
P3580

>  <Name> (549)
WAY-304388

>  <Synonyms> (549)
N/A

>  <Target> (549)
sirtuin,histone acetyl transferase

>  <Form> (549)
free base

>  <CAS> (549)
305357-89-5

>  <URL> (549)
N/A

$$$$
WAY-304405
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C19H19NO2

>  <MolWeight> (550)
293.35966

>  <Cat> (550)
P3581

>  <Name> (550)
WAY-304405

>  <Synonyms> (550)
N/A

>  <Target> (550)
STAT,Plasmodium falciparum Equilibrative N

>  <Form> (550)
free base

>  <CAS> (550)
1351505-59-3

>  <URL> (550)
N/A

$$$$
WAY-304544
csChFnd80/10202017462D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C15H16N2O3

>  <MolWeight> (551)
272.29914

>  <Cat> (551)
P3582

>  <Name> (551)
WAY-304544

>  <Synonyms> (551)
N/A

>  <Target> (551)
sirtuin

>  <Form> (551)
free base

>  <CAS> (551)
347362-65-6

>  <URL> (551)
N/A

$$$$
WAY-304671
csChFnd80/10202017462D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.2522   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  2  0  0  0  0
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 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C16H9ClN2OS2

>  <MolWeight> (552)
344.83846

>  <Cat> (552)
P3583

>  <Name> (552)
WAY-304671

>  <Synonyms> (552)
N/A

>  <Target> (552)
SMYD3

>  <Form> (552)
free base

>  <CAS> (552)
330837-95-1

>  <URL> (552)
N/A

$$$$
WAY-305238
csChFnd80/10202017462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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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
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 25 26  1  0  0  0  0
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 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C18H19N3O4S

>  <MolWeight> (553)
373.42616

>  <Cat> (553)
P3584

>  <Name> (553)
WAY-305238

>  <Synonyms> (553)
N/A

>  <Target> (553)
parp1

>  <Form> (553)
free base

>  <CAS> (553)
442648-52-4

>  <URL> (553)
N/A

$$$$
WAY-305341
csChFnd80/10202017462D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 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> (554)
554

>  <Formula> (554)
C15H15N3O3S

>  <MolWeight> (554)
317.3629

>  <Cat> (554)
P3585

>  <Name> (554)
WAY-305341

>  <Synonyms> (554)
N/A

>  <Target> (554)
HDAC

>  <Form> (554)
free base

>  <CAS> (554)
353781-42-7

>  <URL> (554)
N/A

$$$$
WAY-383515
csChFnd80/10202017462D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C17H18N2O3S

>  <MolWeight> (555)
330.40142

>  <Cat> (555)
P3636

>  <Name> (555)
WAY-383515

>  <Synonyms> (555)
N/A

>  <Target> (555)
BRD4

>  <Form> (555)
free base

>  <CAS> (555)
304685-40-3

>  <URL> (555)
N/A

$$$$
WAY-305857
csChFnd80/10202017462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  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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  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 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> (556)
556

>  <Formula> (556)
C15H24N6O2

>  <MolWeight> (556)
320.39006

>  <Cat> (556)
P3586

>  <Name> (556)
WAY-305857

>  <Synonyms> (556)
N/A

>  <Target> (556)
PKC¦Â, PARP-1 

>  <Form> (556)
free base

>  <CAS> (556)
313471-52-2

>  <URL> (556)
N/A

$$$$
WAY-324197
csChFnd80/10202017462D

 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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  2  1  1  0  0  0  0
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  5  2  1  0  0  0  0
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  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
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 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> (557)
557

>  <Formula> (557)
C21H22N2O

>  <MolWeight> (557)
318.41218

>  <Cat> (557)
P3613

>  <Name> (557)
WAY-324197

>  <Synonyms> (557)
N/A

>  <Target> (557)
SIRT2

>  <Form> (557)
free base

>  <CAS> (557)
1005095-06-6

>  <URL> (557)
N/A

$$$$
WAY-385602
csChFnd80/10202017462D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
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 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 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
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 27 24  2  0  0  0  0
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  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> (558)
558

>  <Formula> (558)
C20H19ClFN3O3

>  <MolWeight> (558)
403.8345632

>  <Cat> (558)
P3637

>  <Name> (558)
WAY-385602

>  <Synonyms> (558)
N/A

>  <Target> (558)
fungal histone acetyltransferase Rtt109

>  <Form> (558)
free base

>  <CAS> (558)
722478-59-3

>  <URL> (558)
N/A

$$$$
WL-164379
csChFnd80/10202017462D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  1  0  0  0  0
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C19H21N3OS2

>  <MolWeight> (559)
371.51954

>  <Cat> (559)
P3676

>  <Name> (559)
WL-164379

>  <Synonyms> (559)
N/A

>  <Target> (559)
STAT3

>  <Form> (559)
free base

>  <CAS> (559)
311762-65-9

>  <URL> (559)
N/A

$$$$
WAY-308264
csChFnd80/10202017462D

 21 23  0  0  0  0  0  0  0  0999 V2000
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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
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C14H14N4O2S

>  <MolWeight> (560)
302.35156

>  <Cat> (560)
P3587

>  <Name> (560)
WAY-308264

>  <Synonyms> (560)
N/A

>  <Target> (560)
histone acetyltransferase

>  <Form> (560)
free base

>  <CAS> (560)
364624-08-8

>  <URL> (560)
N/A

$$$$
WAY-309060
csChFnd80/10202017462D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  5  9  1  0  0  0  0
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 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C13H14N2O4

>  <MolWeight> (561)
262.26126

>  <Cat> (561)
P3588

>  <Name> (561)
WAY-309060

>  <Synonyms> (561)
N/A

>  <Target> (561)
BRD4

>  <Form> (561)
free base

>  <CAS> (561)
309951-18-6

>  <URL> (561)
N/A

$$$$
WAY-309229-A
csChFnd80/10202017462D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4 10  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C14H13N3OS

>  <MolWeight> (562)
271.33752

>  <Cat> (562)
P3589

>  <Name> (562)
WAY-309229-A

>  <Synonyms> (562)
N/A

>  <Target> (562)
EGFR

>  <Form> (562)
free base

>  <CAS> (562)
799800-65-0

>  <URL> (562)
N/A

$$$$
WAY-352571
csChFnd80/10202017462D

 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
  -12.9000    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1958    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 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
 19 17  2  0  0  0  0
 20  7  2  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
 23 18  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 17  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 14 18  1  0  0  0  0
 11 24  2  0  0  0  0
  4  2  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C19H17N3O4S2

>  <MolWeight> (563)
415.48598

>  <Cat> (563)
P3628

>  <Name> (563)
WAY-352571

>  <Synonyms> (563)
N/A

>  <Target> (563)
DNA methyltransferase 3A,hsp90

>  <Form> (563)
free base

>  <CAS> (563)
505054-90-0

>  <URL> (563)
N/A

$$$$
WAY-353519
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.8042  -11.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0000   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5375   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 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
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21  9  2  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
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 25 22  1  0  0  0  0
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 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 11 19  2  0  0  0  0
 27 28  1  0  0  0  0
  9 10  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C20H21N3O3S2

>  <MolWeight> (564)
415.52904

>  <Cat> (564)
P3629

>  <Name> (564)
WAY-353519

>  <Synonyms> (564)
N/A

>  <Target> (564)
sirtuin

>  <Form> (564)
free base

>  <CAS> (564)
690247-68-8

>  <URL> (564)
N/A

$$$$
WAY-354574
csChFnd80/10202017462D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (565)
565

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N/A

>  <Target> (565)
SIRT2

>  <Form> (565)
free base

>  <CAS> (565)
851873-40-0

>  <URL> (565)
N/A

$$$$
WAY-354875
csChFnd80/10202017462D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (566)
566

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C17H9FN4O2S

>  <MolWeight> (566)
352.3423632

>  <Cat> (566)
P3631

>  <Name> (566)
WAY-354875

>  <Synonyms> (566)
N/A

>  <Target> (566)
SIRT1

>  <Form> (566)
free base

>  <CAS> (566)
720672-18-4

>  <URL> (566)
N/A

$$$$
WAY-358008
csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C17H15N3O3S

>  <MolWeight> (567)
341.3843

>  <Cat> (567)
P3632

>  <Name> (567)
WAY-358008

>  <Synonyms> (567)
N/A

>  <Target> (567)
microRNA

>  <Form> (567)
free base

>  <CAS> (567)
303018-40-8

>  <URL> (567)
N/A

$$$$
WAY-359061
csChFnd80/10202017462D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 12  9  2  0  0  0  0
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M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C15H13ClN2OS

>  <MolWeight> (568)
304.79452

>  <Cat> (568)
P3633

>  <Name> (568)
WAY-359061

>  <Synonyms> (568)
N/A

>  <Target> (568)
microRNA

>  <Form> (568)
free base

>  <CAS> (568)
307509-59-7

>  <URL> (568)
N/A

$$$$
WAY-380064-A
csChFnd80/10202017462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 22 23  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C19H22ClNO2

>  <MolWeight> (569)
331.83648

>  <Cat> (569)
P3634

>  <Name> (569)
WAY-380064-A

>  <Synonyms> (569)
N/A

>  <Target> (569)
PRMT5

>  <Form> (569)
free base

>  <CAS> (569)
380192-76-7

>  <URL> (569)
N/A

$$$$
WAY-382052
csChFnd80/10202017462D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
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570

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C17H18N2O

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N/A

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microRNA

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free base

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536713-36-7

>  <URL> (570)
N/A

$$$$
WAY-616361
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (571)
571

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C17H16N4O2

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308.33454

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P3654

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WAY-616361

>  <Synonyms> (571)
N/A

>  <Target> (571)
ARTD3,PARP-1

>  <Form> (571)
free base

>  <CAS> (571)
730949-09-4

>  <URL> (571)
N/A

$$$$
WL-231219
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (572)
572

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C10H12N4O2

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>  <Name> (572)
WL-231219

>  <Synonyms> (572)
N/A

>  <Target> (572)
HDAC

>  <Form> (572)
free base

>  <CAS> (572)
842955-63-9

>  <URL> (572)
N/A

$$$$
WAY-623944
csChFnd80/10202017462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C23H20N4O3S

>  <MolWeight> (573)
432.4949

>  <Cat> (573)
P3657

>  <Name> (573)
WAY-623944

>  <Synonyms> (573)
N/A

>  <Target> (573)
microRNA

>  <Form> (573)
free base

>  <CAS> (573)
438599-31-6

>  <URL> (573)
N/A

$$$$
WAY-643116
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C18H20N6

>  <MolWeight> (574)
320.3916

>  <Cat> (574)
P3669

>  <Name> (574)
WAY-643116

>  <Synonyms> (574)
N/A

>  <Target> (574)
microRNA

>  <Form> (574)
free base

>  <CAS> (574)
850020-01-8

>  <URL> (574)
N/A

$$$$
WAY-334681-A
csChFnd80/10202017462D

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575

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N/A

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STAT3

>  <Form> (575)
free base

>  <CAS> (575)
736950-05-3

>  <URL> (575)
N/A

$$$$
WAY-334725
csChFnd80/10202017462D

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WAY-334725

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N/A

>  <Target> (576)
microRNA

>  <Form> (576)
free base

>  <CAS> (576)
742116-35-4

>  <URL> (576)
N/A

$$$$
WAY-625138
csChFnd80/10202017462D

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>  <Synonyms> (577)
N/A

>  <Target> (577)
microRNA

>  <Form> (577)
free base

>  <CAS> (577)
756865-61-9

>  <URL> (577)
N/A

$$$$
WAY-273429
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C11H8BrN5

>  <MolWeight> (578)
290.11872

>  <Cat> (578)
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>  <Name> (578)
WAY-273429

>  <Synonyms> (578)
N/A

>  <Target> (578)
AMPK

>  <Form> (578)
free base

>  <CAS> (578)
525607-71-0

>  <URL> (578)
N/A

$$$$
WAY-273431
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (579)
579

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>  <Synonyms> (579)
N/A

>  <Target> (579)
AMPK

>  <Form> (579)
free base

>  <CAS> (579)
525608-36-0

>  <URL> (579)
N/A

$$$$
WAY-277306
csChFnd80/10202017462D

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>  <Mol_ID> (580)
580

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>  <MolWeight> (580)
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>  <Name> (580)
WAY-277306

>  <Synonyms> (580)
N/A

>  <Target> (580)
EZH2

>  <Form> (580)
free base

>  <CAS> (580)
763096-21-5

>  <URL> (580)
N/A

$$$$
WAY-335492
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C20H27FN2O2

>  <MolWeight> (581)
346.4389832

>  <Cat> (581)
P3622

>  <Name> (581)
WAY-335492

>  <Synonyms> (581)
N/A

>  <Target> (581)
microRNA

>  <Form> (581)
free base

>  <CAS> (581)
786725-13-1

>  <URL> (581)
N/A

$$$$
WAY-629450-A
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C16H17NO

>  <MolWeight> (582)
239.31228

>  <Cat> (582)
P3659

>  <Name> (582)
WAY-629450-A

>  <Synonyms> (582)
N/A

>  <Target> (582)
HDAC

>  <Form> (582)
free base

>  <CAS> (582)
851901-67-2

>  <URL> (582)
N/A

$$$$
CL-224747
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C9H8N2O

>  <MolWeight> (583)
160.17262

>  <Cat> (583)
P3539

>  <Name> (583)
CL-224747

>  <Synonyms> (583)
N/A

>  <Target> (583)
PARP

>  <Form> (583)
free base

>  <CAS> (583)
802981-45-9

>  <URL> (583)
N/A

$$$$
WAY-339491
csChFnd80/10202017462D

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 10  4  2  0  0  0  0
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 15  5  2  0  0  0  0
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 17 12  2  0  0  0  0
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 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
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  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> (584)
584

>  <Formula> (584)
C21H17N3O3S

>  <MolWeight> (584)
391.44298

>  <Cat> (584)
P3624

>  <Name> (584)
WAY-339491

>  <Synonyms> (584)
N/A

>  <Target> (584)
histone acetyl transferase,sirtuin

>  <Form> (584)
free base

>  <CAS> (584)
863589-21-3

>  <URL> (584)
N/A

$$$$
WAY-339495
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
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 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
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  6  8  1  0  0  0  0
 13 25  2  0  0  0  0
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 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C21H17N3O3S

>  <MolWeight> (585)
391.44298

>  <Cat> (585)
P3625

>  <Name> (585)
WAY-339495

>  <Synonyms> (585)
N/A

>  <Target> (585)
histone acetyl transferase,sirtuin

>  <Form> (585)
free base

>  <CAS> (585)
863589-28-0

>  <URL> (585)
N/A

$$$$
WAY-339500
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  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> (586)
586

>  <Formula> (586)
C21H17N3O3S

>  <MolWeight> (586)
391.44298

>  <Cat> (586)
P3626

>  <Name> (586)
WAY-339500

>  <Synonyms> (586)
N/A

>  <Target> (586)
histone acetyl transferase,sirtuin

>  <Form> (586)
free base

>  <CAS> (586)
863589-44-0

>  <URL> (586)
N/A

$$$$
WAY-339503
csChFnd80/10202017462D

 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
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   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -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> (587)
587

>  <Formula> (587)
C20H15N3O2S

>  <MolWeight> (587)
361.417

>  <Cat> (587)
P3627

>  <Name> (587)
WAY-339503

>  <Synonyms> (587)
N/A

>  <Target> (587)
histone acetyl transferase,sirtuin

>  <Form> (587)
free base

>  <CAS> (587)
863589-52-0

>  <URL> (587)
N/A

$$$$
WAY-613308
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  7  3  2  0  0  0  0
  9 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C18H14O4

>  <MolWeight> (588)
294.30136

>  <Cat> (588)
P3651

>  <Name> (588)
WAY-613308

>  <Synonyms> (588)
N/A

>  <Target> (588)
HDAC

>  <Form> (588)
free base

>  <CAS> (588)
503040-22-0

>  <URL> (588)
N/A

$$$$
WAY-613419
csChFnd80/10202017462D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -1.1048   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    2.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
 10 13  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C9H8N2OS

>  <MolWeight> (589)
192.23762

>  <Cat> (589)
P3652

>  <Name> (589)
WAY-613419

>  <Synonyms> (589)
N/A

>  <Target> (589)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (589)
free base

>  <CAS> (589)
14346-25-9

>  <URL> (589)
N/A

$$$$
WAY-630921
csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0750   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7792   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    4.6375    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  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 20  2  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 24 21  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C19H19N3O2

>  <MolWeight> (590)
321.37306

>  <Cat> (590)
P3660

>  <Name> (590)
WAY-630921

>  <Synonyms> (590)
N/A

>  <Target> (590)
PARP

>  <Form> (590)
free base

>  <CAS> (590)
743451-47-0

>  <URL> (590)
N/A

$$$$
WAY-631668
csChFnd80/10202017462D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.4583   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5958   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5500    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 29  1  0  0  0  0
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M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C27H26N4O2

>  <MolWeight> (591)
438.52094

>  <Cat> (591)
P3661

>  <Name> (591)
WAY-631668

>  <Synonyms> (591)
N/A

>  <Target> (591)
DOT1L

>  <Form> (591)
free base

>  <CAS> (591)
736189-79-0

>  <URL> (591)
N/A

$$$$
WAY-631878
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C15H16N4O3

>  <MolWeight> (592)
300.31254

>  <Cat> (592)
P3662

>  <Name> (592)
WAY-631878

>  <Synonyms> (592)
N/A

>  <Target> (592)
BET

>  <Form> (592)
free base

>  <CAS> (592)
568567-43-1

>  <URL> (592)
N/A

$$$$
WAY-650876
csChFnd80/10202017462D

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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C13H11N3O3S

>  <MolWeight> (593)
289.30974

>  <Cat> (593)
P3670

>  <Name> (593)
WAY-650876

>  <Synonyms> (593)
N/A

>  <Target> (593)
HDAC6

>  <Form> (593)
free base

>  <CAS> (593)
848065-95-2

>  <URL> (593)
N/A

$$$$
WAY-270360
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 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
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 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
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 23  7  1  0  0  0  0
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 16 20  1  0  0  0  0
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M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C22H19N3O3

>  <MolWeight> (594)
373.40456

>  <Cat> (594)
P3549

>  <Name> (594)
WAY-270360

>  <Synonyms> (594)
N/A

>  <Target> (594)
histone acetyl transferase,sirtuin

>  <Form> (594)
free base

>  <CAS> (594)
476633-98-4

>  <URL> (594)
N/A

$$$$
WAY-270374
csChFnd80/10202017462D

 23 24  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
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 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C15H14F2N2O3S

>  <MolWeight> (595)
340.3450664

>  <Cat> (595)
P3550

>  <Name> (595)
WAY-270374

>  <Synonyms> (595)
N/A

>  <Target> (595)
microRNA

>  <Form> (595)
free base

>  <CAS> (595)
476643-66-0

>  <URL> (595)
N/A

$$$$
WAY-270603
csChFnd80/10202017462D

 30 33  0  0  0  0  0  0  0  0999 V2000
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 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
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 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> (596)
596

>  <Formula> (596)
C23H21N3O4

>  <MolWeight> (596)
403.43054

>  <Cat> (596)
P3552

>  <Name> (596)
WAY-270603

>  <Synonyms> (596)
N/A

>  <Target> (596)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (596)
free base

>  <CAS> (596)
303141-65-3

>  <URL> (596)
N/A

$$$$
WAY-601310
csChFnd80/10202017462D

 15 17  0  0  0  0  0  0  0  0999 V2000
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 15 12  1  0  0  0  0
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 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
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 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> (597)
597

>  <Formula> (597)
C11H9N3O

>  <MolWeight> (597)
199.20866

>  <Cat> (597)
P3643

>  <Name> (597)
WAY-601310

>  <Synonyms> (597)
N/A

>  <Target> (597)
PARP

>  <Form> (597)
free base

>  <CAS> (597)
25468-50-2

>  <URL> (597)
N/A

$$$$
WAY-601411
csChFnd80/10202017462D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  5  2  1  0  0  0  0
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  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> (598)
598

>  <Formula> (598)
C23H26N4O4

>  <MolWeight> (598)
422.47694

>  <Cat> (598)
P3644

>  <Name> (598)
WAY-601411

>  <Synonyms> (598)
N/A

>  <Target> (598)
HAT,sirtuin

>  <Form> (598)
free base

>  <CAS> (598)
717120-17-7

>  <URL> (598)
N/A

$$$$
WAY-601037-A
csChFnd80/10202017462D

 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  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> (599)
599

>  <Formula> (599)
C22H26N2O

>  <MolWeight> (599)
334.45464

>  <Cat> (599)
P3641

>  <Name> (599)
WAY-601037

>  <Synonyms> (599)
N/A

>  <Target> (599)
DNA Methyltransferase 1

>  <Form> (599)
free base

>  <CAS> (599)
300590-63-0

>  <URL> (599)
N/A

$$$$
WAY-601116
csChFnd80/10202017462D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  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
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 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> (600)
600

>  <Formula> (600)
C23H18N2O4

>  <MolWeight> (600)
386.40002

>  <Cat> (600)
P3642

>  <Name> (600)
WAY-601116

>  <Synonyms> (600)
N/A

>  <Target> (600)
microRNA

>  <Form> (600)
free base

>  <CAS> (600)
353763-50-5

>  <URL> (600)
N/A

$$$$
WAY-601673
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10 15  1  0  0  0  0
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 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C20H26ClN3O

>  <MolWeight> (601)
359.89294

>  <Cat> (601)
P3645

>  <Name> (601)
WAY-601673

>  <Synonyms> (601)
N/A

>  <Target> (601)
HIF PHD,Prolylhydroxylase

>  <Form> (601)
free base

>  <CAS> (601)
380192-95-0

>  <URL> (601)
N/A

$$$$
WAY-615693
csChFnd80/10202017462D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  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> (602)
602

>  <Formula> (602)
C21H24N4S

>  <MolWeight> (602)
364.50706

>  <Cat> (602)
P3653

>  <Name> (602)
WAY-615693

>  <Synonyms> (602)
N/A

>  <Target> (602)
MLL protein and menin interaction

>  <Form> (602)
free base

>  <CAS> (602)
568575-51-9

>  <URL> (602)
N/A

$$$$
WAY-632889
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  6  4  2  0  0  0  0
 25 23  2  0  0  0  0
 12  8  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C18H11BrN2O4

>  <MolWeight> (603)
399.19494

>  <Cat> (603)
P3663

>  <Name> (603)
WAY-632889

>  <Synonyms> (603)
N/A

>  <Target> (603)
microRNA

>  <Form> (603)
free base

>  <CAS> (603)
784169-89-7

>  <URL> (603)
N/A

$$$$
WAY-633558
csChFnd80/10202017462D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2292    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 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
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  7  4  2  0  0  0  0
  5 16  1  0  0  0  0
 12  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C15H15N5S

>  <MolWeight> (604)
297.3781

>  <Cat> (604)
P3664

>  <Name> (604)
WAY-633558

>  <Synonyms> (604)
N/A

>  <Target> (604)
MLL protein and menin interaction

>  <Form> (604)
free base

>  <CAS> (604)
786715-29-5

>  <URL> (604)
N/A

$$$$
WAY-652291
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -0.3583    2.0708    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  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 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
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
  7 10  1  0  0  0  0
  4  6  1  0  0  0  0
 11 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C18H17N3O4

>  <MolWeight> (605)
339.34528

>  <Cat> (605)
P3671

>  <Name> (605)
WAY-652291

>  <Synonyms> (605)
N/A

>  <Target> (605)
BET Bromodomain

>  <Form> (605)
free base

>  <CAS> (605)
854137-39-6

>  <URL> (605)
N/A

$$$$
WAY-652941
csChFnd80/10202017462D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3083    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0208    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22  9  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 19 21  1  0  0  0  0
  5  4  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C19H20N4O4S

>  <MolWeight> (606)
400.4515

>  <Cat> (606)
P3672

>  <Name> (606)
WAY-652941

>  <Synonyms> (606)
N/A

>  <Target> (606)
PARP,Rac1

>  <Form> (606)
free base

>  <CAS> (606)
854022-49-4

>  <URL> (606)
N/A

$$$$
WAY-271933
csChFnd80/10202017462D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    2.5167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8042   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 20  2  0  0  0  0
 19 10  2  0  0  0  0
 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 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> (607)
607

>  <Formula> (607)
C15H15N5O2S

>  <MolWeight> (607)
329.3769

>  <Cat> (607)
P3553

>  <Name> (607)
WAY-271933

>  <Synonyms> (607)
N/A

>  <Target> (607)
DOT1L

>  <Form> (607)
free base

>  <CAS> (607)
612525-79-8

>  <URL> (607)
N/A

$$$$
WAY-272124
csChFnd80/10202017462D

 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
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    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> (608)
608

>  <Formula> (608)
C24H23N3O4

>  <MolWeight> (608)
417.45712

>  <Cat> (608)
P3554

>  <Name> (608)
WAY-272124

>  <Synonyms> (608)
N/A

>  <Target> (608)
histone acetyl transferase,sirtuin

>  <Form> (608)
free base

>  <CAS> (608)
694469-31-3

>  <URL> (608)
N/A

$$$$
WAY-272172
csChFnd80/10202017462D

 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
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   16.0000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  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> (609)
609

>  <Formula> (609)
C17H18N2O3S

>  <MolWeight> (609)
330.40142

>  <Cat> (609)
P3555

>  <Name> (609)
WAY-272172

>  <Synonyms> (609)
N/A

>  <Target> (609)
microRNA

>  <Form> (609)
free base

>  <CAS> (609)
702650-31-5

>  <URL> (609)
N/A

$$$$
WAY-272277
csChFnd80/10202017462D

 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
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   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 24 20  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
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 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> (610)
610

>  <Formula> (610)
C24H23N3O4

>  <MolWeight> (610)
417.45712

>  <Cat> (610)
P3556

>  <Name> (610)
WAY-272277

>  <Synonyms> (610)
N/A

>  <Target> (610)
histone acetyl transferase,sirtuin

>  <Form> (610)
free base

>  <CAS> (610)
708995-11-3

>  <URL> (610)
N/A

$$$$
WAY-320144
csChFnd80/10202017462D

 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
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    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
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    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> (611)
611

>  <Formula> (611)
C23H21N3O4

>  <MolWeight> (611)
403.43054

>  <Cat> (611)
P3595

>  <Name> (611)
WAY-320144

>  <Synonyms> (611)
N/A

>  <Target> (611)
histone acetyl transferase,sirtuin

>  <Form> (611)
free base

>  <CAS> (611)
313275-18-2

>  <URL> (611)
N/A

$$$$
WAY-320391
csChFnd80/10202017462D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.2500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0500   -4.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
  8  7  1  0  0  0  0
 16 15  1  0  0  0  0
  9  4  1  0  0  0  0
 14 12  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C20H18ClN3O2S

>  <MolWeight> (612)
399.89382

>  <Cat> (612)
P3596

>  <Name> (612)
WAY-320391

>  <Synonyms> (612)
N/A

>  <Target> (612)
DNA Methyltransferase 1

>  <Form> (612)
free base

>  <CAS> (612)
488825-25-8

>  <URL> (612)
N/A

$$$$
WAY-601986
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8583    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8250   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7250    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  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
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 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> (613)
613

>  <Formula> (613)
C19H14N4OS

>  <MolWeight> (613)
346.40566

>  <Cat> (613)
P3646

>  <Name> (613)
WAY-601986

>  <Synonyms> (613)
N/A

>  <Target> (613)
PARP

>  <Form> (613)
free base

>  <CAS> (613)
375394-80-2

>  <URL> (613)
N/A

$$$$
WAY-603231
csChFnd80/10202017462D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.0583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.1792    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  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  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  3  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  2  0  0  0  0
 22 16  2  0  0  0  0
 23 19  2  0  0  0  0
 11  9  2  0  0  0  0
 21 22  1  0  0  0  0
 12 14  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (614)
614

>  <Formula> (614)
C18H10N2O2S

>  <MolWeight> (614)
318.3492

>  <Cat> (614)
P3647

>  <Name> (614)
WAY-603231

>  <Synonyms> (614)
N/A

>  <Target> (614)
sirtuin,HAT

>  <Form> (614)
free base

>  <CAS> (614)
327104-77-8

>  <URL> (614)
N/A

$$$$
SD-57881
csChFnd80/10202017462D

 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
    2.0291    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8664    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -0.2328    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    0.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.3899    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
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C15H13N3O3S2

>  <MolWeight> (615)
347.41202

>  <Cat> (615)
P3544

>  <Name> (615)
SD-57881

>  <Synonyms> (615)
N/A

>  <Target> (615)
zinc metalloenzyme

>  <Form> (615)
free base

>  <CAS> (615)
349415-77-6

>  <URL> (615)
N/A

$$$$
WAY-320884
csChFnd80/10202017462D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
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 18  3  1  0  0  0  0
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 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C16H19N3O4S

>  <MolWeight> (616)
349.40476

>  <Cat> (616)
P3597

>  <Name> (616)
WAY-320884

>  <Synonyms> (616)
N/A

>  <Target> (616)
sirtuin 5

>  <Form> (616)
free base

>  <CAS> (616)
450356-20-4

>  <URL> (616)
N/A

$$$$
WAY-321539
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
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 17 14  2  0  0  0  0
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 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C15H15N5O2

>  <MolWeight> (617)
297.3119

>  <Cat> (617)
P3598

>  <Name> (617)
WAY-321539

>  <Synonyms> (617)
N/A

>  <Target> (617)
STAT3

>  <Form> (617)
free base

>  <CAS> (617)
332074-13-2

>  <URL> (617)
N/A

$$$$
WAY-321927
csChFnd80/10202017462D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
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 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
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 21  7  1  0  0  0  0
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 26  9  1  0  0  0  0
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 31 27  2  0  0  0  0
 13 18  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C25H25N5O

>  <MolWeight> (618)
411.4989

>  <Cat> (618)
P3599

>  <Name> (618)
WAY-321927

>  <Synonyms> (618)
N/A

>  <Target> (618)
EZH2

>  <Form> (618)
free base

>  <CAS> (618)
342780-77-2

>  <URL> (618)
N/A

$$$$
WAY-321944
csChFnd80/10202017462D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C17H16N2O3

>  <MolWeight> (619)
296.32054

>  <Cat> (619)
P3600

>  <Name> (619)
WAY-321944

>  <Synonyms> (619)
N/A

>  <Target> (619)
BRD4,Anti-infection

>  <Form> (619)
free base

>  <CAS> (619)
10001-31-7

>  <URL> (619)
N/A

$$$$
WAY-322593
csChFnd80/10202017462D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C19H17ClN2O

>  <MolWeight> (620)
324.80408

>  <Cat> (620)
P3601

>  <Name> (620)
WAY-322593

>  <Synonyms> (620)
N/A

>  <Target> (620)
HIF PHD,apoptosis

>  <Form> (620)
free base

>  <CAS> (620)
501017-82-9

>  <URL> (620)
N/A

$$$$
WAY-322757
csChFnd80/10202017462D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C25H21N5O3

>  <MolWeight> (621)
439.46594

>  <Cat> (621)
P3602

>  <Name> (621)
WAY-322757

>  <Synonyms> (621)
N/A

>  <Target> (621)
MLL-menin interaction

>  <Form> (621)
free base

>  <CAS> (621)
683806-57-7

>  <URL> (621)
N/A

$$$$
WAY-323061
csChFnd80/10202017462D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C25H21N5O2S

>  <MolWeight> (622)
455.53154

>  <Cat> (622)
P3603

>  <Name> (622)
WAY-323061

>  <Synonyms> (622)
N/A

>  <Target> (622)
SIRT2

>  <Form> (622)
free base

>  <CAS> (622)
550301-63-8

>  <URL> (622)
N/A

$$$$
WAY-323062
csChFnd80/10202017462D

 30 34  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 11 13  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C21H22N6OS2

>  <MolWeight> (623)
438.56898

>  <Cat> (623)
P3604

>  <Name> (623)
WAY-323062

>  <Synonyms> (623)
N/A

>  <Target> (623)
SIRT2

>  <Form> (623)
free base

>  <CAS> (623)
. 522650-91-5

>  <URL> (623)
N/A

$$$$
WAY-323091
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
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>  <MolWeight> (624)
424.2794

>  <Cat> (624)
P3605

>  <Name> (624)
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>  <Synonyms> (624)
N/A

>  <Target> (624)
PARP

>  <Form> (624)
free base

>  <CAS> (624)
684234-55-7

>  <URL> (624)
N/A

$$$$
WAY-323092
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C22H15Cl2N3O2

>  <MolWeight> (625)
424.2794

>  <Cat> (625)
P3606

>  <Name> (625)
WAY-323092

>  <Synonyms> (625)
N/A

>  <Target> (625)
PARP

>  <Form> (625)
free base

>  <CAS> (625)
684234-56-8

>  <URL> (625)
N/A

$$$$
WAY-323093
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C22H15BrClN3O2

>  <MolWeight> (626)
468.7304

>  <Cat> (626)
P3607

>  <Name> (626)
WAY-323093

>  <Synonyms> (626)
N/A

>  <Target> (626)
PARP

>  <Form> (626)
free base

>  <CAS> (626)
684234-57-9

>  <URL> (626)
N/A

$$$$
WAY-323096
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C22H15ClFN3O2

>  <MolWeight> (627)
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>  <Cat> (627)
P3608

>  <Name> (627)
WAY-323096

>  <Synonyms> (627)
N/A

>  <Target> (627)
PARP

>  <Form> (627)
free base

>  <CAS> (627)
684234-60-4

>  <URL> (627)
N/A

$$$$
WAY-394670
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C19H14N4OS

>  <MolWeight> (628)
346.40566

>  <Cat> (628)
P3640

>  <Name> (628)
WAY-394670

>  <Synonyms> (628)
N/A

>  <Target> (628)
PARP

>  <Form> (628)
free base

>  <CAS> (628)
378786-16-4

>  <URL> (628)
N/A

$$$$
WAY-603656
csChFnd80/10202017462D

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   -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> (629)
629

>  <Formula> (629)
C11H8N2OS2

>  <MolWeight> (629)
248.32402

>  <Cat> (629)
P3648

>  <Name> (629)
WAY-603656

>  <Synonyms> (629)
N/A

>  <Target> (629)
histone acetyltransferases,Nox enzyme

>  <Form> (629)
free base

>  <CAS> (629)
717118-15-5

>  <URL> (629)
N/A

$$$$
WAY-603657
csChFnd80/10202017462D

 19 22  0  0  0  0  0  0  0  0999 V2000
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   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (630)
630

>  <Formula> (630)
C14H8N2OS2

>  <MolWeight> (630)
284.35612

>  <Cat> (630)
P3649

>  <Name> (630)
WAY-603657

>  <Synonyms> (630)
N/A

>  <Target> (630)
histone acetyltransferases

>  <Form> (630)
free base

>  <CAS> (630)
100527-13-7

>  <URL> (630)
N/A

$$$$
WAY-638078
csChFnd80/10202017462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.3750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -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
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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> (631)
631

>  <Formula> (631)
C20H22N4O2

>  <MolWeight> (631)
350.41428

>  <Cat> (631)
P3665

>  <Name> (631)
WAY-638078

>  <Synonyms> (631)
N/A

>  <Target> (631)
PARP

>  <Form> (631)
free base

>  <CAS> (631)
794562-86-0

>  <URL> (631)
N/A

$$$$
WAY-655845
csChFnd80/10202017462D

 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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   -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> (632)
632

>  <Formula> (632)
C17H21N3O3S2

>  <MolWeight> (632)
379.49694

>  <Cat> (632)
P3673

>  <Name> (632)
WAY-655845

>  <Synonyms> (632)
N/A

>  <Target> (632)
SIRT2

>  <Form> (632)
free base

>  <CAS> (632)
865267-78-3

>  <URL> (632)
N/A

$$$$
WAY-657361
csChFnd80/10202017462D

 24 27  0  0  0  0  0  0  0  0999 V2000
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   -0.4333    0.1500    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  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
  4 10  1  0  0  0  0
  7  5  1  0  0  0  0
 12 11  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C17H15N3O4

>  <MolWeight> (633)
325.3187

>  <Cat> (633)
P3674

>  <Name> (633)
WAY-657361

>  <Synonyms> (633)
N/A

>  <Target> (633)
BET Bromodomain

>  <Form> (633)
free base

>  <CAS> (633)
852957-78-9

>  <URL> (633)
N/A

$$$$
WAY-323744
csChFnd80/10202017462D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0458   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  3  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
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M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C20H15N3O5S

>  <MolWeight> (634)
409.4152

>  <Cat> (634)
P3609

>  <Name> (634)
WAY-323744

>  <Synonyms> (634)
N/A

>  <Target> (634)
EZH2

>  <Form> (634)
free base

>  <CAS> (634)
854134-90-0

>  <URL> (634)
N/A

$$$$
WAY-324030
csChFnd80/10202017462D

 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> (635)
635

>  <Formula> (635)
C15H16N2O

>  <MolWeight> (635)
240.30034

>  <Cat> (635)
P3610

>  <Name> (635)
WAY-324030

>  <Synonyms> (635)
N/A

>  <Target> (635)
CBP/EP300 

>  <Form> (635)
free base

>  <CAS> (635)
92579-34-5

>  <URL> (635)
N/A

$$$$
WAY-324142
csChFnd80/10202017462D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
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 13  5  2  0  0  0  0
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 25 24  2  0  0  0  0
 11 12  2  0  0  0  0
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 21 15  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C19H15N3O2S

>  <MolWeight> (636)
349.4063

>  <Cat> (636)
P3611

>  <Name> (636)
WAY-324142

>  <Synonyms> (636)
N/A

>  <Target> (636)
HAT,sirtuin

>  <Form> (636)
free base

>  <CAS> (636)
667910-69-2

>  <URL> (636)
N/A

$$$$
WAY-324168
csChFnd80/10202017462D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   11.8000    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
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 16  7  2  0  0  0  0
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 13  9  2  0  0  0  0
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 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C20H18N2O6

>  <MolWeight> (637)
382.36672

>  <Cat> (637)
P3612

>  <Name> (637)
WAY-324168

>  <Synonyms> (637)
N/A

>  <Target> (637)
microtubule

>  <Form> (637)
free base

>  <CAS> (637)
663214-48-0

>  <URL> (637)
N/A

$$$$
WAY-324205
csChFnd80/10202017462D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
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 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  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 11  2  0  0  0  0
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 20 22  1  0  0  0  0
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 27 24  2  0  0  0  0
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 29 27  1  0  0  0  0
  8 10  1  0  0  0  0
  3  5  1  0  0  0  0
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 18 16  2  0  0  0  0
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C25H30N2O2

>  <MolWeight> (638)
390.5179

>  <Cat> (638)
P3614

>  <Name> (638)
WAY-324205

>  <Synonyms> (638)
N/A

>  <Target> (638)
SIRT2

>  <Form> (638)
free base

>  <CAS> (638)
1005095-05-5

>  <URL> (638)
N/A

$$$$
WAY-324359
csChFnd80/10202017462D

 29 32  0  0  0  0  0  0  0  0999 V2000
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639

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N/A

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PARP

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free base

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836640-15-4

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N/A

$$$$
WAY-324979
csChFnd80/10202017462D

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>  <Mol_ID> (640)
640

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C14H13ClN4S

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>  <Synonyms> (640)
N/A

>  <Target> (640)
MicroRNA

>  <Form> (640)
free base

>  <CAS> (640)
221120-57-6

>  <URL> (640)
N/A

$$$$
WAY-620473
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (641)
641

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C17H20N4O3

>  <MolWeight> (641)
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>  <Synonyms> (641)
N/A

>  <Target> (641)
PARP-1

>  <Form> (641)
free base

>  <CAS> (641)
743451-55-0

>  <URL> (641)
N/A

$$$$
WAY-639320
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C17H16N8S

>  <MolWeight> (642)
364.42754

>  <Cat> (642)
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>  <Name> (642)
WAY-639320

>  <Synonyms> (642)
N/A

>  <Target> (642)
MicroRNA

>  <Form> (642)
free base

>  <CAS> (642)
796060-12-3

>  <URL> (642)
N/A

$$$$
WAY-639432
csChFnd80/10202017462D

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M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C21H19NO2

>  <MolWeight> (643)
317.38106

>  <Cat> (643)
P3667

>  <Name> (643)
WAY-639432

>  <Synonyms> (643)
N/A

>  <Target> (643)
EZH2

>  <Form> (643)
free base

>  <CAS> (643)
796050-78-7

>  <URL> (643)
N/A

$$$$
WAY-659224
csChFnd80/10202017462D

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HDAC

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free base

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864853-56-5

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N/A

$$$$
WAY-326107
csChFnd80/10202017462D

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645

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N/A

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MicroRNA

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free base

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869714-54-5

>  <URL> (645)
N/A

$$$$
WAY-327520
csChFnd80/10202017462D

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646

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N/A

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BRD4-TAF1

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free base

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876710-97-3

>  <URL> (646)
N/A

$$$$
WAY-608116
csChFnd80/10202017462D

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N/A

>  <Target> (647)
BRD4

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free base

>  <CAS> (647)
380546-70-3

>  <URL> (647)
N/A

$$$$
WAY-621850
csChFnd80/10202017462D

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648

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WAY-621850

>  <Synonyms> (648)
N/A

>  <Target> (648)
PARP

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free base

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745035-11-4

>  <URL> (648)
N/A

$$$$
WAY-641015
csChFnd80/10202017462D

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   -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> (649)
649

>  <Formula> (649)
C16H15N3O2

>  <MolWeight> (649)
281.3092

>  <Cat> (649)
P3668

>  <Name> (649)
WAY-641015

>  <Synonyms> (649)
N/A

>  <Target> (649)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (649)
free base

>  <CAS> (649)
851175-95-6

>  <URL> (649)
N/A

$$$$
