ABT-888(Veliparib).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C13H16N4O

>  <MolWeight> (1)
244.29234

>  <Cat> (1)
S1004

>  <Name> (1)
Veliparib (ABT-888)

>  <Synonyms> (1)
NSC 737664

>  <Target> (1)
Apoptosis related,Autophagy,PARP

>  <Form> (1)
free base

>  <CAS> (1)
912444-00-9

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

$$$$
untitled.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C21H23N3O2

>  <MolWeight> (2)
349.42622

>  <Cat> (2)
S1030

>  <Name> (2)
Panobinostat (LBH589)

>  <Synonyms> (2)
NVP-LBH589

>  <Target> (2)
Apoptosis related,Autophagy,HDAC,HIV Protease

>  <Form> (2)
Free Base

>  <CAS> (2)
404950-80-7

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

$$$$
untitled.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C28H22F3N7O

>  <MolWeight> (3)
529.5157896

>  <Cat> (3)
S1033

>  <Name> (3)
Nilotinib (AMN-107)

>  <Synonyms> (3)
AMN-107

>  <Target> (3)
AMPK,Autophagy,Bcr-Abl

>  <Form> (3)
free base

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

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

$$$$
AR-42.cdx
csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C18H20N2O3

>  <MolWeight> (4)
312.363

>  <Cat> (4)
S2244

>  <Name> (4)
AR-42

>  <Synonyms> (4)
HDAC-42

>  <Target> (4)
HDAC

>  <Form> (4)
free base

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

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

$$$$
vorinostat.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (5)
5

>  <Formula> (5)
C14H20N2O3

>  <MolWeight> (5)
264.3202

>  <Cat> (5)
S1047

>  <Name> (5)
Vorinostat (SAHA)

>  <Synonyms> (5)
SAHA,MK0683, Suberoylanilide hydroxamic acid, Zolinza

>  <Target> (5)
Autophagy,HDAC,HPV

>  <Form> (5)
free base

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

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

$$$$
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>  <Mol_ID> (6)
6

>  <Formula> (6)
C23H28N8OS

>  <MolWeight> (6)
464.58642

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S1048

>  <Name> (6)
Tozasertib

>  <Synonyms> (6)
VX-680, MK-0457

>  <Target> (6)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (6)
free base

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

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

$$$$
untitled.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (7)
7

>  <Formula> (7)
C21H20N4O3

>  <MolWeight> (7)
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>  <Cat> (7)
S1053

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

>  <Synonyms> (7)
SNDX-275

>  <Target> (7)
Apoptosis related,Autophagy,HDAC

>  <Form> (7)
free base

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

>  <URL> (7)
http://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://selleckchem.com/products/Enzastaurin.html

$$$$
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M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C24H23FN4O3

>  <MolWeight> (9)
434.4628232

>  <Cat> (9)
S1060

>  <Name> (9)
Olaparib (AZD2281)

>  <Synonyms> (9)
Ku-0059436

>  <Target> (9)
Autophagy,Mitophagy,PARP

>  <Form> (9)
free base

>  <CAS> (9)
763113-22-0

>  <URL> (9)
http://selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C15H14N2O4S

>  <MolWeight> (10)
318.34766

>  <Cat> (10)
S1085

>  <Name> (10)
Belinostat (PXD101)

>  <Synonyms> (10)
PXD101,NSC726630, PX-105684

>  <Target> (10)
Autophagy,HDAC

>  <Form> (10)
free base

>  <CAS> (10)
866323-14-0

>  <URL> (10)
http://selleckchem.com/products/Belinostat.html

$$$$
BSI-201.cdx
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M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C7H5IN2O3

>  <MolWeight> (11)
292.03067

>  <Cat> (11)
S1087

>  <Name> (11)
Iniparib (BSI-201)

>  <Synonyms> (11)
NSC-746045, IND-71677

>  <Target> (11)
PARP

>  <Form> (11)
free base

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

>  <URL> (11)
http://selleckchem.com/products/BSI-201.html

$$$$
untitled.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C21H23N3O5

>  <MolWeight> (12)
397.42442

>  <Cat> (12)
S1090

>  <Name> (12)
Abexinostat (PCI-24781)

>  <Synonyms> (12)
CRA-024781

>  <Target> (12)
HDAC

>  <Form> (12)
free base

>  <CAS> (12)
783355-60-2

>  <URL> (12)
http://selleckchem.com/products/PCI-24781.html

$$$$
LAQ824.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (13)
13

>  <Formula> (13)
C22H25N3O3

>  <MolWeight> (13)
379.4522

>  <Cat> (13)
S1095

>  <Name> (13)
Dacinostat (LAQ824)

>  <Synonyms> (13)
NVP-LAQ824

>  <Target> (13)
HDAC,p21

>  <Form> (13)
free base

>  <CAS> (13)
404951-53-7

>  <URL> (13)
http://selleckchem.com/products/LAQ824(NVP-LAQ824).html

$$$$

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M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C19H21FN3O5P

>  <MolWeight> (14)
421.3593042

>  <Cat> (14)
S1098

>  <Name> (14)
Rucaparib (AG-014699) phosphate

>  <Synonyms> (14)
PF-01367338

>  <Target> (14)
PARP

>  <Form> (14)
Phosphate

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

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

$$$$
1.cdx
csChFnd80/06112513542D

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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://selleckchem.com/products/MLN8054.html

$$$$
zm447439.cdx
csChFnd80/06112513542D

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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://selleckchem.com/products/ZM-447439.html

$$$$
untitled.cdx
csChFnd80/06112513542D

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M  END
>  <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)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (17)
free base

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

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

$$$$
untitled.cdx
csChFnd80/06112513542D

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 29 30  1  1  0  0  0
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M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C28H39N7O3

>  <MolWeight> (18)
521.65436

>  <Cat> (18)
S1109

>  <Name> (18)
BI 2536

>  <Synonyms> (18)
N/A

>  <Target> (18)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (18)
free base

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

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

$$$$
726169-73-9.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C23H20N6O

>  <MolWeight> (19)
396.4445

>  <Cat> (19)
S1122

>  <Name> (19)
Mocetinostat (MGCD0103)

>  <Synonyms> (19)
MG0103

>  <Target> (19)
Apoptosis related,Autophagy,HDAC

>  <Form> (19)
free base

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

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

$$$$
SRT1720.cdx
csChFnd80/06112513542D

 35 39  0  0  0  0  0  0  0  0999 V2000
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    9.6995   14.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 26  1  0  0  0  0
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M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C25H24ClN7OS

>  <MolWeight> (20)
506.02236

>  <Cat> (20)
S1129

>  <Name> (20)
SRT1720 HCl

>  <Synonyms> (20)
N/A

>  <Target> (20)
Autophagy,Sirtuin

>  <Form> (20)
Hydrochloride

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

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

$$$$
ino-1001.cdx
csChFnd80/06112513542D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    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
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C7H8N2O

>  <MolWeight> (21)
136.15122

>  <Cat> (21)
S1132

>  <Name> (21)
3-Aminobenzamide

>  <Synonyms> (21)
3-ABA , 3-amino Benzamide, 3-AB

>  <Target> (21)
Apoptosis related,PARP

>  <Form> (21)
free base

>  <CAS> (21)
3544-24-9

>  <URL> (21)
https://www.selleckchem.com/products/3-aminobenzamide.html

$$$$
mln8237.cdx
csChFnd80/06112513542D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C27H20ClFN4O4

>  <MolWeight> (22)
518.9235032

>  <Cat> (22)
S1133

>  <Name> (22)
Alisertib (MLN8237)

>  <Synonyms> (22)
N/A

>  <Target> (22)
Apoptosis related,Aurora Kinase,Autophagy

>  <Form> (22)
free base

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

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

$$$$
AT9283.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C19H23N7O2

>  <MolWeight> (23)
381.43162

>  <Cat> (23)
S1134

>  <Name> (23)
AT9283

>  <Synonyms> (23)
N/A

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

>  <Form> (23)
free base

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

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

$$$$
AG-490.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C17H14N2O3

>  <MolWeight> (24)
294.30466

>  <Cat> (24)
S1143

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

>  <Synonyms> (24)
Zinc02557947

>  <Target> (24)
EGFR,JAK

>  <Form> (24)
free base

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

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

$$$$
untitled.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C26H30FN7O3

>  <MolWeight> (25)
507.5599032

>  <Cat> (25)
S1147

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

>  <Synonyms> (25)
AZD2811, INH-34, Barasertib-HQPA , Defosbarasertib

>  <Target> (25)
Aurora Kinase

>  <Form> (25)
free base

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

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

$$$$
cyc116.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (26)
26

>  <Formula> (26)
C18H20N6OS

>  <MolWeight> (26)
368.456

>  <Cat> (26)
S1171

>  <Name> (26)
CYC116

>  <Synonyms> (26)
N/A

>  <Target> (26)
Aurora Kinase,VEGFR

>  <Form> (26)
free base

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

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

$$$$
XAV-939.cdx
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
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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)
NVP-XAV939

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

>  <Form> (27)
free base

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

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

$$$$
ENMD-2076.cdx
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  3  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 25 28  1  0  0  0  0
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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)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (28)
Tartaric Acid

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

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

$$$$
S119401 CUDC-101.cdx
csChFnd80/06112513542D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  3  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C24H26N4O4

>  <MolWeight> (29)
434.48764

>  <Cat> (29)
S1194

>  <Name> (29)
CUDC-101

>  <Synonyms> (29)
N/A

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

>  <Form> (29)
free base

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

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

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/06112513542D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C8H12N4O4

>  <MolWeight> (30)
228.20528

>  <Cat> (30)
S1200

>  <Name> (30)
Decitabine (NSC 127716)

>  <Synonyms> (30)
Deoxycytidine, Dacogen, 5-aza-2'-deoxycytidine, 5-AZA-dC, 5-aza-CdR,NSC 127716

>  <Target> (30)
Apoptosis related,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (30)
free base

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

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

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/06112513542D

 41 44  0  0  0  0  0  0  0  0999 V2000
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   12.1159    4.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2775    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 24 25  1  1  0  0  0
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 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 26 32  1  1  0  0  0
 30 33  1  1  0  0  0
 29 34  1  1  0  0  0
 28 35  1  1  0  0  0
 22 36  1  0  0  0  0
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 37 38  1  0  0  0  0
 36 39  2  0  0  0  0
 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C27H30ClNO11

>  <MolWeight> (31)
579.9802

>  <Cat> (31)
S1208

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

>  <Synonyms> (31)
NSC 123127, DOX, Doxorubicin hydrochloride, Hydroxydaunorubicin HCl,Adriamycin HCl

>  <Target> (31)
ADC Cytotoxin,AMPK,Antibiotics,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,HIV,Mitophagy,Topoisomerase

>  <Form> (31)
Hydrochloride

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

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

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/06112513542D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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  4  7  1  0  0  0  0
  3  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C4H3FN2O2

>  <MolWeight> (32)
130.0772232

>  <Cat> (32)
S1209

>  <Name> (32)
Fluorouracil (5-Fluorouracil, 5-FU)

>  <Synonyms> (32)
NSC 19893,5-Fluorouracil, 5-FU

>  <Target> (32)
Apoptosis related,DNA/RNA Synthesis,HIV,Nucleoside Analog/Antimetabolite,Thymidylate Synthase

>  <Form> (32)
free base

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

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

$$$$
Etoposide.cdx
csChFnd80/06112513542D

 47 53  0  0  0  0  0  0  0  0999 V2000
    6.0538    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    6.2878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2662    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    5.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0579    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    8.1205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223    8.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2912    9.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079    9.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   12.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   13.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   12.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079    4.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4103    3.1328    0.0000 H   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
    4.8455    0.0000    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708    0.7428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  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  9  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  2  1  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  1  0  0  0
  6 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  6  0  0  0
  3 31  1  1  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 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  6  0  0  0
 37 39  1  6  0  0  0
 36 40  1  1  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
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 44 35  1  0  0  0  0
 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)

>  <Synonyms> (33)
VP-16213,Vepesid,VP-16

>  <Target> (33)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Mitophagy,Topoisomerase

>  <Form> (33)
free base

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

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

$$$$
2-Methoxyestradiol.cdx
csChFnd80/06112513542D

 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
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8410    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5101    5.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 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 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10 21  1  6  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 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 (2-MeOE2)

>  <Synonyms> (34)
NSC 659853, 2-ME2

>  <Target> (34)
Apoptosis related,Autophagy,HIF,Microtubule Associated

>  <Form> (34)
free base

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

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

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/06112513542D

 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
    2.4207    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    0.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 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 (CCRG 81045)

>  <Synonyms> (35)
NSC 362856,TMZ,CCRG 81045,Methazolastone,Temodar,Temodal

>  <Target> (35)
Apoptosis related,Autophagy,DNA/RNA Synthesis

>  <Form> (35)
free base

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

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

$$$$
JNJ-7706621.cdx
csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    4.8115    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    4.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160    2.3243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6688    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3778    3.4569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3106    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9434    1.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0720    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3510    1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4836    2.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    3.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    4.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6512    4.2999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4968    0.3832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0892    0.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 18 27  2  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C15H12F2N6O3S

>  <MolWeight> (36)
394.3559864

>  <Cat> (36)
S1249

>  <Name> (36)
JNJ-7706621

>  <Synonyms> (36)
N/A

>  <Target> (36)
Aurora Kinase,CDK

>  <Form> (36)
free base

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

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

$$$$
Nicotinamide.cdx
csChFnd80/06112513542D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C6H6N2O

>  <MolWeight> (37)
122.12464

>  <Cat> (37)
S1899

>  <Name> (37)
Nicotinamide (NSC 13128)

>  <Synonyms> (37)
Niacinamide, Vitamin PP, Nicotinic acid amide, Vitamin B3, NSC 27452,NSC 13128

>  <Target> (37)
Sirtuin

>  <Form> (37)
free base

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

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

$$$$
resveratrol.cdx
csChFnd80/06112513542D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0963    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4486    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    2.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    4.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8096    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C14H12O3

>  <MolWeight> (38)
228.24328

>  <Cat> (38)
S1396

>  <Name> (38)
Resveratrol (SRT501)

>  <Synonyms> (38)
trans-Resveratrol,SRT501

>  <Target> (38)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (38)
free base

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

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

$$$$
Droxinostat.cdx
csChFnd80/06112513542D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 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  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C11H14ClNO3

>  <MolWeight> (39)
243.68676

>  <Cat> (39)
S1422

>  <Name> (39)
Droxinostat

>  <Synonyms> (39)
NS 41080

>  <Target> (39)
HDAC

>  <Form> (39)
free base

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

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/06112513542D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    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
  3  9  1  0  0  0  0
  8 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  8  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
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 17 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
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 33 35  2  0  0  0  0
 34 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
 39 40  1  0  0  0  0
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 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C31H31ClFN7O2

>  <MolWeight> (40)
588.0749432

>  <Cat> (40)
S1451

>  <Name> (40)
Aurora A Inhibitor I (TC-S 7010)

>  <Synonyms> (40)
N/A

>  <Target> (40)
Apoptosis related,Aurora Kinase

>  <Form> (40)
free base

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

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

$$$$
PHA-6806320.cdx
csChFnd80/06112513542D

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.5914   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3828   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7784   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763   11.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763    9.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6952    8.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (41)
41

>  <Formula> (41)
C28H35N7O2

>  <MolWeight> (41)
501.6232

>  <Cat> (41)
S1454

>  <Name> (41)
PHA-680632

>  <Synonyms> (41)
N/A

>  <Target> (41)
Aurora Kinase

>  <Form> (41)
free base

>  <CAS> (41)
398493-79-3

>  <URL> (41)
http://selleckchem.com/products/PHA-680632.html

$$$$
sp600125.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C14H8N2O

>  <MolWeight> (42)
220.22612

>  <Cat> (42)
S1460

>  <Name> (42)
SP600125

>  <Synonyms> (42)
Nsc75890

>  <Target> (42)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (42)
free base

>  <CAS> (42)
129-56-6

>  <URL> (42)
http://selleckchem.com/products/SP600125.html

$$$$
FG-4592.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (43)
43

>  <Formula> (43)
C19H16N2O5

>  <MolWeight> (43)
352.34074

>  <Cat> (43)
S1007

>  <Name> (43)
Roxadustat (FG-4592)

>  <Synonyms> (43)
ASP1517

>  <Target> (43)
Ferroptosis,HIF

>  <Form> (43)
free base

>  <CAS> (43)
808118-40-3

>  <URL> (43)
http://selleckchem.com/products/fg-4592.html

$$$$
MC-1568.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C17H15FN2O3

>  <MolWeight> (44)
314.3110032

>  <Cat> (44)
S1484

>  <Name> (44)
MC1568

>  <Synonyms> (44)
N/A

>  <Target> (44)
HDAC

>  <Form> (44)
free base

>  <CAS> (44)
852475-26-4

>  <URL> (44)
http://selleckchem.com/products/MC1568.html

$$$$
SB 939.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C20H30N4O2

>  <MolWeight> (45)
358.4778

>  <Cat> (45)
S1515

>  <Name> (45)
Pracinostat (SB939)

>  <Synonyms> (45)
N/A

>  <Target> (45)
Apoptosis related,HDAC

>  <Form> (45)
free base

>  <CAS> (45)
929016-96-6

>  <URL> (45)
http://selleckchem.com/products/SB939.html

$$$$
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csChFnd80/06112513542D

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M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C18H17FN4O

>  <MolWeight> (46)
324.3521832

>  <Cat> (46)
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>  <Name> (46)
A-966492

>  <Synonyms> (46)
N/A

>  <Target> (46)
PARP

>  <Form> (46)
free base

>  <CAS> (46)
934162-61-5

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

$$$$
Hesperadin .cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (47)
47

>  <Formula> (47)
C29H32N4O3S

>  <MolWeight> (47)
516.65438

>  <Cat> (47)
S1529

>  <Name> (47)
Hesperadin

>  <Synonyms> (47)
N/A

>  <Target> (47)
Aurora Kinase

>  <Form> (47)
free base

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

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

$$$$
EX527.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C13H13ClN2O

>  <MolWeight> (48)
248.70812

>  <Cat> (48)
S1541

>  <Name> (48)
Selisistat (EX 527)

>  <Synonyms> (48)
SEN0014196

>  <Target> (48)
Sirtuin

>  <Form> (48)
free base

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

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

$$$$
BMS777607.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C25H19ClF2N4O4

>  <MolWeight> (49)
512.8925664

>  <Cat> (49)
S1561

>  <Name> (49)
BMS-777607

>  <Synonyms> (49)
BMS 817378

>  <Target> (49)
Axl,c-Met,RON,Tyro3

>  <Form> (49)
free base

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

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

$$$$
Fasudil HCl.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C14H18ClN3O2S

>  <MolWeight> (50)
327.82962

>  <Cat> (50)
S1573

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

>  <Synonyms> (50)
AT-877,HA-1077 HCl

>  <Target> (50)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (50)
Hydrochloride

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

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

$$$$

csChFnd80/06112513542D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -13.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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)
BSK805

>  <Target> (51)
JAK

>  <Form> (51)
HCl

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

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

$$$$
ALBENZA (albendazole).cdx
csChFnd80/06112513542D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 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
  8 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
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C12H15N3O2S

>  <MolWeight> (52)
265.3314

>  <Cat> (52)
S1640

>  <Name> (52)
Albendazole (SKF-62979)

>  <Synonyms> (52)
SKF-62979

>  <Target> (52)
ADC Cytotoxin,Microtubule Associated

>  <Form> (52)
free base

>  <CAS> (52)
54965-21-8

>  <URL> (52)
http://selleckchem.com/products/Albendazole(Albenza).html

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/06112513542D

 18 19  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  5  1  1  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  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C9H11F2N3O4

>  <MolWeight> (53)
263.1981464

>  <Cat> (53)
S1714

>  <Name> (53)
Gemcitabine (LY-188011)

>  <Synonyms> (53)
LY-188011, NSC 613327

>  <Target> (53)
Apoptosis related,Autophagy,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (53)
Free Base

>  <CAS> (53)
95058-81-4

>  <URL> (53)
http://selleckchem.com/products/Gemcitabine(Gemzar).html

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  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  8  1  0  0  0  0
  3 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  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C15H12N2O

>  <MolWeight> (54)
236.26858

>  <Cat> (54)
S1693

>  <Name> (54)
Carbamazepine

>  <Synonyms> (54)
NSC 169864

>  <Target> (54)
Autophagy,Sodium Channel

>  <Form> (54)
free base

>  <CAS> (54)
298-46-4

>  <URL> (54)
http://selleckchem.com/products/Carbamazepine(Carbatrol).html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/06112513542D

 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> (55)
55

>  <Formula> (55)
C16H31NaO4

>  <MolWeight> (55)
310.40471

>  <Cat> (55)
S1703

>  <Name> (55)
Divalproex Sodium

>  <Synonyms> (55)
N/A

>  <Target> (55)
HDAC

>  <Form> (55)
Sodium Salt

>  <CAS> (55)
76584-70-8

>  <URL> (55)
http://selleckchem.com/products/Divalproex-sodium.html

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/06112513542D

 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
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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> (56)
56

>  <Formula> (56)
C5H5N5S

>  <MolWeight> (56)
167.1917

>  <Cat> (56)
S1774

>  <Name> (56)
Thioguanine (NSC 752)

>  <Synonyms> (56)
NSC 752,6-Thioguanine, 2-Amino-6-purinethiol

>  <Target> (56)
DNA Methyltransferase

>  <Form> (56)
free base

>  <CAS> (56)
154-42-7

>  <URL> (56)
http://selleckchem.com/products/Thioguanine.html

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/06112513542D

 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
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 12 13  2  0  0  0  0
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 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> (57)
57

>  <Formula> (57)
C8H12N4O5

>  <MolWeight> (57)
244.20468

>  <Cat> (57)
S1782

>  <Name> (57)
Azacitidine (5-Azacytidine)

>  <Synonyms> (57)
5-AzaC,Ladakamycin, AZA,5-Aza, CC-486,NSC 102816,5-Azacytidine

>  <Target> (57)
Autophagy,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (57)
free base

>  <CAS> (57)
320-67-2

>  <URL> (57)
http://selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
VUMON (teniposide).cdx
csChFnd80/06112513542D

 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
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   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
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   10.3991    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 30 34  1  6  0  0  0
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 47  6  1  0  0  0  0
 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C32H32O13S

>  <MolWeight> (58)
656.65368

>  <Cat> (58)
S1787

>  <Name> (58)
Teniposide

>  <Synonyms> (58)
NSC 122819, VM-26

>  <Target> (58)
Topoisomerase

>  <Form> (58)
free base

>  <CAS> (58)
29767-20-2

>  <URL> (58)
http://selleckchem.com/products/Teniposide(Vumon).html

$$$$
Baricitinib.cdx
csChFnd80/06112513542D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C16H17N7O2S

>  <MolWeight> (59)
371.41688

>  <Cat> (59)
S2851

>  <Name> (59)
Baricitinib (INCB028050)

>  <Synonyms> (59)
LY3009104

>  <Target> (59)
COVID-19,JAK

>  <Form> (59)
free base

>  <CAS> (59)
1187594-09-7

>  <URL> (59)
http://selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/06112513542D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C4H12ClN5

>  <MolWeight> (60)
165.62458

>  <Cat> (60)
S1950

>  <Name> (60)
Metformin HCl

>  <Synonyms> (60)
1,1-Dimethylbiguanide HCl

>  <Target> (60)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (60)
Hydrochloride

>  <CAS> (60)
1115-70-4

>  <URL> (60)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
PENETREX (enoxacin).cdx
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C15H17FN4O3

>  <MolWeight> (61)
320.3188832

>  <Cat> (61)
S1756

>  <Name> (61)
Enoxacin

>  <Synonyms> (61)
AT-2266, CI919, Pd107779, NSC 629661

>  <Target> (61)
Topoisomerase

>  <Form> (61)
free base

>  <CAS> (61)
74011-58-8

>  <URL> (61)
http://selleckchem.com/products/Enoxacin(Penetrex).html

$$$$
PCI-34051.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C17H16N2O3

>  <MolWeight> (62)
296.32054

>  <Cat> (62)
S2012

>  <Name> (62)
PCI-34051

>  <Synonyms> (62)
N/A

>  <Target> (62)
Apoptosis related,HDAC

>  <Form> (62)
free base

>  <CAS> (62)
950762-95-5

>  <URL> (62)
http://selleckchem.com/products/pci-34051.html

$$$$
RG108.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C19H14N2O4

>  <MolWeight> (63)
334.32546

>  <Cat> (63)
S2821

>  <Name> (63)
RG108

>  <Synonyms> (63)
N-Phthalyl-L-tryptophan

>  <Target> (63)
DNA Methyltransferase

>  <Form> (63)
free base

>  <CAS> (63)
48208-26-0

>  <URL> (63)
http://selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C23H24N8O4S

>  <MolWeight> (64)
508.55286

>  <Cat> (64)
S2759

>  <Name> (64)
Fimepinostat (CUDC-907)

>  <Synonyms> (64)
N/A

>  <Target> (64)
Apoptosis related,HDAC,PI3K

>  <Form> (64)
free base

>  <CAS> (64)
1339928-25-4

>  <URL> (64)
http://selleckchem.com/products/pi3k-hdac-inhibitor-i.html

$$$$
MK-2461.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (65)
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>  <Formula> (65)
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>  <MolWeight> (65)
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MK-2461

>  <Synonyms> (65)
N/A

>  <Target> (65)
c-Met,FGFR,PDGFR,RON

>  <Form> (65)
free base

>  <CAS> (65)
917879-39-1

>  <URL> (65)
http://selleckchem.com/products/mk-2461.html

$$$$
M344.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (66)
66

>  <Formula> (66)
C16H25N3O3

>  <MolWeight> (66)
307.388

>  <Cat> (66)
S2779

>  <Name> (66)
M344

>  <Synonyms> (66)
N/A

>  <Target> (66)
HDAC

>  <Form> (66)
free base

>  <CAS> (66)
251456-60-7

>  <URL> (66)
http://selleckchem.com/products/m344.html

$$$$
TAK-285.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (67)
67

>  <Formula> (67)
C26H25ClF3N5O3

>  <MolWeight> (67)
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>  <Cat> (67)
S2784

>  <Name> (67)
TAK-285

>  <Synonyms> (67)
N/A

>  <Target> (67)
EGFR,HER2

>  <Form> (67)
free base

>  <CAS> (67)
871026-44-7

>  <URL> (67)
http://selleckchem.com/products/tak-285.html

$$$$
CP-690550.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (68)
68

>  <Formula> (68)
C16H20N6O

>  <MolWeight> (68)
312.3696

>  <Cat> (68)
S2789

>  <Name> (68)
Tofacitinib (CP-690550)

>  <Synonyms> (68)
Tasocitinib

>  <Target> (68)
Apoptosis related,JAK

>  <Form> (68)
free base

>  <CAS> (68)
477600-75-2

>  <URL> (68)
http://selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C17H14BrN3O

>  <MolWeight> (69)
356.21656

>  <Cat> (69)
S2796

>  <Name> (69)
WP1066

>  <Synonyms> (69)
N/A

>  <Target> (69)
Apoptosis related,JAK,STAT

>  <Form> (69)
free base

>  <CAS> (69)
857064-38-1

>  <URL> (69)
http://selleckchem.com/products/wp1066.html

$$$$
Bufexamac.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C12H17NO3

>  <MolWeight> (70)
223.26828

>  <Cat> (70)
S3023

>  <Name> (70)
Bufexamac

>  <Synonyms> (70)
Bufexamic acid

>  <Target> (70)
COX,IFN

>  <Form> (70)
free base

>  <CAS> (70)
2438-72-4

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C25H22N6O2

>  <MolWeight> (71)
438.48118

>  <Cat> (71)
S2791

>  <Name> (71)
Sotrastaurin (AEB071)

>  <Synonyms> (71)
AEB071

>  <Target> (71)
PKC

>  <Form> (71)
free base

>  <CAS> (71)
425637-18-9

>  <URL> (71)
http://selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
Sirtinol.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C26H22N2O2

>  <MolWeight> (72)
394.46508

>  <Cat> (72)
S2804

>  <Name> (72)
Sirtinol

>  <Synonyms> (72)
N/A

>  <Target> (72)
Sirtuin

>  <Form> (72)
free base

>  <CAS> (72)
410536-97-9

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

$$$$
CEP33779.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C24H26N6O2S

>  <MolWeight> (73)
462.56724

>  <Cat> (73)
S2806

>  <Name> (73)
CEP-33779

>  <Synonyms> (73)
N/A

>  <Target> (73)
JAK

>  <Form> (73)
free base

>  <CAS> (73)
1257704-57-6

>  <URL> (73)
http://selleckchem.com/products/cep33779.html

$$$$
CI994.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C15H15N3O2

>  <MolWeight> (74)
269.2985

>  <Cat> (74)
S2818

>  <Name> (74)
Tacedinaline (CI994)

>  <Synonyms> (74)
PD-123654, GOE-5549, Acetyldinaline

>  <Target> (74)
HDAC

>  <Form> (74)
free base

>  <CAS> (74)
112522-64-2

>  <URL> (74)
http://selleckchem.com/products/ci994-tacedinaline.html

$$$$
Quercetin.cdx
csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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  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
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M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C15H10O7

>  <MolWeight> (75)
302.2357

>  <Cat> (75)
S2391

>  <Name> (75)
Quercetin (NSC 9221)

>  <Synonyms> (75)
Sophoretin, C.I. 75720

>  <Target> (75)
Apoptosis related,Autophagy,Mitophagy,PI3K,PKC,Sirtuin,Src

>  <Form> (75)
Free Base

>  <CAS> (75)
117-39-5

>  <URL> (75)
http://selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
Palmatine hydrochloride.cdx
csChFnd80/06112513542D

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    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C21H22ClNO4

>  <MolWeight> (76)
387.85668

>  <Cat> (76)
S2397

>  <Name> (76)
Palmatine chloride

>  <Synonyms> (76)
N/A

>  <Target> (76)
Calcium Channel

>  <Form> (76)
Chloride

>  <CAS> (76)
10605-02-4

>  <URL> (76)
http://selleckchem.com/products/Palmatine-chloride.html

$$$$
KW2449.cdx
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  1  1  0  0  0  0
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C20H20N4O

>  <MolWeight> (77)
332.399

>  <Cat> (77)
S2158

>  <Name> (77)
KW-2449

>  <Synonyms> (77)
N/A

>  <Target> (77)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (77)
free base

>  <CAS> (77)
1000669-72-6

>  <URL> (77)
http://selleckchem.com/products/KW-2449.html

$$$$

csChFnd80/06112513542D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C24H30ClN3O5

>  <MolWeight> (78)
475.9651

>  <Cat> (78)
S2170

>  <Name> (78)
Givinostat (ITF2357)

>  <Synonyms> (78)
N/A

>  <Target> (78)
HDAC

>  <Form> (78)
Chloride

>  <CAS> (78)
732302-99-7

>  <URL> (78)
http://selleckchem.com/products/ITF2357(Givinostat).html

$$$$
Daphnetin.cdx
csChFnd80/06112513542D

 13 14  0  0  0  0  0  0  0  0999 V2000
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  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C9H6O4

>  <MolWeight> (79)
178.14154

>  <Cat> (79)
S2554

>  <Name> (79)
Daphnetin

>  <Synonyms> (79)
N/A

>  <Target> (79)
EGFR,PKA,PKC

>  <Form> (79)
free base

>  <CAS> (79)
486-35-1

>  <URL> (79)
http://selleckchem.com/products/Daphnetin.html

$$$$
AG14361.cdx
csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (80)
80

>  <Formula> (80)
C19H20N4O

>  <MolWeight> (80)
320.3883

>  <Cat> (80)
S2178

>  <Name> (80)
AG-14361

>  <Synonyms> (80)
N/A

>  <Target> (80)
PARP

>  <Form> (80)
free base

>  <CAS> (80)
328543-09-5

>  <URL> (80)
http://selleckchem.com/products/AG14361.html

$$$$
LY2784544.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (81)
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>  <Formula> (81)
C23H25ClFN7O

>  <MolWeight> (81)
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>  <Cat> (81)
S2179

>  <Name> (81)
Gandotinib (LY2784544)

>  <Synonyms> (81)
N/A

>  <Target> (81)
JAK

>  <Form> (81)
free base

>  <CAS> (81)
1229236-86-5

>  <URL> (81)
http://selleckchem.com/products/LY2784544.html

$$$$
SGI 1776 free base.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (82)
82

>  <Formula> (82)
C20H22F3N5O

>  <MolWeight> (82)
405.4167896

>  <Cat> (82)
S2198

>  <Name> (82)
SGI-1776 free base

>  <Synonyms> (82)
N/A

>  <Target> (82)
Apoptosis related,Autophagy,FLT3,Haspin Kinase,Pim

>  <Form> (82)
free base

>  <CAS> (82)
1025065-69-3

>  <URL> (82)
http://selleckchem.com/products/SGI-1776.html

$$$$
AZ 960.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C18H16F2N6

>  <MolWeight> (83)
354.3566464

>  <Cat> (83)
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>  <Name> (83)
AZ 960

>  <Synonyms> (83)
N/A

>  <Target> (83)
Apoptosis related,JAK

>  <Form> (83)
free base

>  <CAS> (83)
905586-69-8

>  <URL> (83)
http://selleckchem.com/products/AZ-960.html

$$$$
Mubritinib.cdx
csChFnd80/06112513542D

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   12.2591   10.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6897    9.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2189   12.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6064   12.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1738   13.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5613   13.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1288   15.2442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4982   15.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.6445   16.9276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3656   17.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4288   16.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C25H23F3N4O2

>  <MolWeight> (84)
468.4709296

>  <Cat> (84)
S2216

>  <Name> (84)
Mubritinib (TAK 165)

>  <Synonyms> (84)
N/A

>  <Target> (84)
HER2

>  <Form> (84)
free base

>  <CAS> (84)
366017-09-6

>  <URL> (84)
http://selleckchem.com/products/Mubritinib-TAK-165.html

$$$$
CYT 387.cdx
csChFnd80/06112513542D

 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
    9.6869    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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> (85)
85

>  <Formula> (85)
C23H22N6O2

>  <MolWeight> (85)
414.45978

>  <Cat> (85)
S2219

>  <Name> (85)
Momelotinib (CYT387)

>  <Synonyms> (85)
LM-1149 , CYT11387

>  <Target> (85)
Apoptosis related,Autophagy,JAK

>  <Form> (85)
free base

>  <CAS> (85)
1056634-68-4

>  <URL> (85)
http://selleckchem.com/products/Cyt387.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/06112513542D

 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> (86)
86

>  <Formula> (86)
C22H18O11

>  <MolWeight> (86)
458.37172

>  <Cat> (86)
S2250

>  <Name> (86)
(-)-Epigallocatechin Gallate

>  <Synonyms> (86)
EGCG

>  <Target> (86)
DNA Methyltransferase,EGFR,Fatty Acid Synthase,HER2,Telomerase

>  <Form> (86)
free base

>  <CAS> (86)
989-51-5

>  <URL> (86)
http://selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/06112513542D

 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> (87)
87

>  <Formula> (87)
C20H18ClNO4

>  <MolWeight> (87)
371.81422

>  <Cat> (87)
S2271

>  <Name> (87)
Berberine chloride (NSC 646666)

>  <Synonyms> (87)
Natural Yellow 18 chloride

>  <Target> (87)
Anti-infection,Apoptosis related,Autophagy,Bcl-2,Caspase,IAP,JNK,p38 MAPK,P450 (e.g. CYP17),PARP,ROS,Topoisomerase

>  <Form> (87)
chloride

>  <CAS> (87)
633-65-8

>  <URL> (87)
http://selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Chlorogenic acid.cdx
csChFnd80/06112513542D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C16H18O9

>  <MolWeight> (88)
354.30872

>  <Cat> (88)
S2280

>  <Name> (88)
Chlorogenic Acid

>  <Synonyms> (88)
NSC 407296, Heriguard

>  <Target> (88)
Others

>  <Form> (88)
free base

>  <CAS> (88)
327-97-9

>  <URL> (88)
http://selleckchem.com/products/Chlorogenic-acid.html

$$$$
Fisetin.cdx
csChFnd80/06112513542D

 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> (89)
89

>  <Formula> (89)
C15H10O6

>  <MolWeight> (89)
286.2363

>  <Cat> (89)
S2298

>  <Name> (89)
Fisetin

>  <Synonyms> (89)
N/A

>  <Target> (89)
Sirtuin

>  <Form> (89)
free base

>  <CAS> (89)
528-48-3

>  <URL> (89)
http://selleckchem.com/products/Fisetin(Fustel).html

$$$$
Myricitrin.cdx
csChFnd80/06112513542D

 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> (90)
90

>  <Formula> (90)
C21H20O12

>  <MolWeight> (90)
464.3763

>  <Cat> (90)
S2327

>  <Name> (90)
Myricitrin

>  <Synonyms> (90)
Myricitrine

>  <Target> (90)
PKC

>  <Form> (90)
free base

>  <CAS> (90)
17912-87-7

>  <URL> (90)
http://selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Parthenolide.cdx
csChFnd80/06112513542D

 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> (91)
91

>  <Formula> (91)
C15H20O3

>  <MolWeight> (91)
248.3175

>  <Cat> (91)
S2341

>  <Name> (91)
(-)-Parthenolide

>  <Synonyms> (91)
N/A

>  <Target> (91)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (91)
free base

>  <CAS> (91)
20554-84-1

>  <URL> (91)
http://selleckchem.com/products/Parthenolide((-)-Parthenolide).html

$$$$
Quercetin dihydrate.cdx
csChFnd80/06112513542D

 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> (92)
92

>  <Formula> (92)
C15H14O9

>  <MolWeight> (92)
338.26626

>  <Cat> (92)
S2347

>  <Name> (92)
Quercetin Dihydrate

>  <Synonyms> (92)
Sophoretin

>  <Target> (92)
PI3K,Sirtuin

>  <Form> (92)
Dihydrate

>  <CAS> (92)
6151-25-3

>  <URL> (92)
http://selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/06112513542D

 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
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    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  3  1  0  0  0  0
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 10 12  1  1  0  0  0
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M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C15H24O2

>  <MolWeight> (93)
236.34986

>  <Cat> (93)
S2407

>  <Name> (93)
Curcumol

>  <Synonyms> (93)
N/A

>  <Target> (93)
JAK

>  <Form> (93)
free base

>  <CAS> (93)
4871-97-0

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

$$$$
Fenbendazole.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C15H13N3O2S

>  <MolWeight> (94)
299.34762

>  <Cat> (94)
S2468

>  <Name> (94)
Fenbendazole

>  <Synonyms> (94)
Fenbendazol,Phenbendasol

>  <Target> (94)
Parasite

>  <Form> (94)
free base

>  <CAS> (94)
43210-67-9

>  <URL> (94)
http://selleckchem.com/products/Fenbendazole(Panacur).html

$$$$
PCI-32765.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C25H24N6O2

>  <MolWeight> (95)
440.49706

>  <Cat> (95)
S2680

>  <Name> (95)
Ibrutinib (PCI-32765)

>  <Synonyms> (95)
PCI-32765,Imbruvica

>  <Target> (95)
BTK,Target Protein Ligand

>  <Form> (95)
free base

>  <CAS> (95)
936563-96-1

>  <URL> (95)
http://selleckchem.com/products/pci-32765.html

$$$$
TAK-901.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C28H32N4O3S

>  <MolWeight> (96)
504.64368

>  <Cat> (96)
S2718

>  <Name> (96)
TAK-901

>  <Synonyms> (96)
N/A

>  <Target> (96)
Aurora Kinase

>  <Form> (96)
free base

>  <CAS> (96)
934541-31-8

>  <URL> (96)
http://selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C26H35N7O2S

>  <MolWeight> (97)
509.6668

>  <Cat> (97)
S2692

>  <Name> (97)
TG101209

>  <Synonyms> (97)
N/A

>  <Target> (97)
c-RET,FLT3,JAK

>  <Form> (97)
free base

>  <CAS> (97)
936091-14-4

>  <URL> (97)
http://selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (98)
98

>  <Formula> (98)
C28H21N7OS

>  <MolWeight> (98)
503.57764

>  <Cat> (98)
S2719

>  <Name> (98)
AMG-900

>  <Synonyms> (98)
N/A

>  <Target> (98)
Aurora Kinase

>  <Form> (98)
free base

>  <CAS> (98)
945595-80-2

>  <URL> (98)
http://selleckchem.com/products/amg-900.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (99)
99

>  <Formula> (99)
C22H30Cl2N4O6

>  <MolWeight> (99)
517.4028

>  <Cat> (99)
S2485

>  <Name> (99)
Mitoxantrone (NSC-301739)?2HCl

>  <Synonyms> (99)
NSC-301739 2HCl

>  <Target> (99)
Apoptosis related,COVID-19,PKC,Topoisomerase

>  <Form> (99)
Dihydrochloride

>  <CAS> (99)
70476-82-3

>  <URL> (99)
http://selleckchem.com/products/Mitoxantrone-Hydrochloride.html

$$$$
CP-690550 citrate.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (100)
100

>  <Formula> (100)
C22H28N6O8

>  <MolWeight> (100)
504.49312

>  <Cat> (100)
S5001

>  <Name> (100)
Tofacitinib (CP-690550) Citrate

>  <Synonyms> (100)
Tasocitinib Citrate,CP-690550

>  <Target> (100)
Anti-infection,JAK

>  <Form> (100)
Citrate

>  <CAS> (100)
540737-29-9

>  <URL> (100)
http://selleckchem.com/products/CP-690550.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (101)
101

>  <Formula> (101)
C10H16ClN5

>  <MolWeight> (101)
241.72054

>  <Cat> (101)
S2542

>  <Name> (101)
Phenformin (NSC-756501) HCl

>  <Synonyms> (101)
Phenethylbiguanide HCl

>  <Target> (101)
AMPK

>  <Form> (101)
Hydrochloride

>  <CAS> (101)
834-28-6

>  <URL> (101)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
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>  <Synonyms> (102)
PF-562271 Besylate

>  <Target> (102)
CDK,FAK,Pyk2

>  <Form> (102)
Benzenesulfonic

>  <CAS> (102)
939791-38-5

>  <URL> (102)
http://selleckchem.com/products/pf-00562271.html

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>  <Mol_ID> (103)
103

>  <Formula> (103)
C23H24FN9O

>  <MolWeight> (103)
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>  <Cat> (103)
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>  <Name> (103)
BMS-754807

>  <Synonyms> (103)
N/A

>  <Target> (103)
c-Met,IGF-1R,RON,Trk receptor

>  <Form> (103)
free base

>  <CAS> (103)
1001350-96-4

>  <URL> (103)
http://selleckchem.com/products/BMS-754807.html

$$$$
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>  <Mol_ID> (104)
104

>  <Formula> (104)
C21H27N7O3

>  <MolWeight> (104)
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>  <Cat> (104)
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>  <Name> (104)
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>  <Synonyms> (104)
N/A

>  <Target> (104)
Akt,AMPK,Autophagy,DAPK,PKA,PKC,STING,ULK

>  <Form> (104)
free base

>  <CAS> (104)
937174-76-0

>  <URL> (104)
http://selleckchem.com/products/GSK690693.html

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csChFnd80/06112513542D

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M  END
>  <Mol_ID> (105)
105

>  <Formula> (105)
C21H20O6

>  <MolWeight> (105)
368.3799

>  <Cat> (105)
S1848

>  <Name> (105)
Curcumin

>  <Synonyms> (105)
Diferuloylmethane, Natural Yellow 3, Turmeric yellow

>  <Target> (105)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HCV,HDAC,Histone Acetyltransferase,HIV,Influenza Virus,NF-¦ÊB,Nrf2

>  <Form> (105)
free base

>  <CAS> (105)
458-37-7

>  <URL> (105)
http://selleckchem.com/products/Curcumin.html

$$$$
ICG001.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (106)
106

>  <Formula> (106)
C33H32N4O4

>  <MolWeight> (106)
548.63158

>  <Cat> (106)
S2662

>  <Name> (106)
Foscenvivint (ICG-001)

>  <Synonyms> (106)
N/A

>  <Target> (106)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (106)
free base

>  <CAS> (106)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (106)
http://selleckchem.com/products/icg-001.html

$$$$
A769662.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (107)
107

>  <Formula> (107)
C20H12N2O3S

>  <MolWeight> (107)
360.38588

>  <Cat> (107)
S2697

>  <Name> (107)
A-769662

>  <Synonyms> (107)
N/A

>  <Target> (107)
AMPK,Fatty Acid Synthase

>  <Form> (107)
free base

>  <CAS> (107)
844499-71-4

>  <URL> (107)
http://selleckchem.com/products/a-769662.html

$$$$
GSK1070916.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C30H33N7O

>  <MolWeight> (108)
507.62932

>  <Cat> (108)
S2740

>  <Name> (108)
GSK1070916

>  <Synonyms> (108)
N/A

>  <Target> (108)
Aurora Kinase

>  <Form> (108)
free base

>  <CAS> (108)
942918-07-2

>  <URL> (108)
http://selleckchem.com/products/gsk1070916.html

$$$$
TG101348.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C27H36N6O3S

>  <MolWeight> (109)
524.67814

>  <Cat> (109)
S2736

>  <Name> (109)
Fedratinib (TG101348)

>  <Synonyms> (109)
SAR302503

>  <Target> (109)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (109)
free base

>  <CAS> (109)
936091-26-8

>  <URL> (109)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C24H26N2O4

>  <MolWeight> (110)
406.47424

>  <Cat> (110)
S1831

>  <Name> (110)
Carvedilol

>  <Synonyms> (110)
BM-14190, SKF 105517

>  <Target> (110)
Adrenergic Receptor

>  <Form> (110)
free base

>  <CAS> (110)
72956-09-3

>  <URL> (110)
http://selleckchem.com/products/carvedilol.html

$$$$
MK-5108.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C22H21ClFN3O3S

>  <MolWeight> (111)
461.9368432

>  <Cat> (111)
S2770

>  <Name> (111)
MK-5108 (VX-689)

>  <Synonyms> (111)
N/A

>  <Target> (111)
Aurora Kinase,Autophagy

>  <Form> (111)
free base

>  <CAS> (111)
1010085-13-8

>  <URL> (111)
http://selleckchem.com/products/mk-5108-vx-689.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C20H22ClN3O2

>  <MolWeight> (112)
371.86058

>  <Cat> (112)
S2627

>  <Name> (112)
Tubastatin A HCl

>  <Synonyms> (112)
TSA HCl

>  <Target> (112)
HDAC

>  <Form> (112)
Hydrochloride

>  <CAS> (112)
1310693-92-5

>  <URL> (112)
http://selleckchem.com/products/tubastatin-a-hcl.html

$$$$
Cephalomannine.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C45H53NO14

>  <MolWeight> (113)
831.90062

>  <Cat> (113)
S2408

>  <Name> (113)
Cephalomannine

>  <Synonyms> (113)
Baccatin III

>  <Target> (113)
Antineoplastic and Immunosuppressive Antibiotics

>  <Form> (113)
free base

>  <CAS> (113)
71610-00-9

>  <URL> (113)
http://selleckchem.com/products/cephalomannine.html

$$$$
Paeoniflorin.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C23H28O11

>  <MolWeight> (114)
480.46182

>  <Cat> (114)
S2410

>  <Name> (114)
Paeoniflorin (NSC 178886)

>  <Synonyms> (114)
NSC 178886,Peoniflorin

>  <Target> (114)
COX,HIF

>  <Form> (114)
free base

>  <CAS> (114)
23180-57-6

>  <URL> (114)
http://selleckchem.com/products/paeoniflorin.html

$$$$
Entacapone.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C14H15N3O5

>  <MolWeight> (115)
305.286

>  <Cat> (115)
S3147

>  <Name> (115)
Entacapone

>  <Synonyms> (115)
OR-611

>  <Target> (115)
COMT,Histone Methyltransferase

>  <Form> (115)
free base

>  <CAS> (115)
130929-57-6

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

$$$$
WHI-P154.cdx
csChFnd80/06112513542D

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 15 16  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (116)
116

>  <Formula> (116)
C16H14BrN3O3

>  <MolWeight> (116)
376.20466

>  <Cat> (116)
S2867

>  <Name> (116)
WHI-P154

>  <Synonyms> (116)
N/A

>  <Target> (116)
EGFR,JAK

>  <Form> (116)
free base

>  <CAS> (116)
211555-04-3

>  <URL> (116)
http://selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C22H34O7

>  <MolWeight> (117)
410.50116

>  <Cat> (117)
S2449

>  <Name> (117)
Colforsin

>  <Synonyms> (117)
Forskolin, HL 362, Coleonol

>  <Target> (117)
Autophagy,cAMP,FXR

>  <Form> (117)
free base

>  <CAS> (117)
66575-29-9

>  <URL> (117)
http://selleckchem.com/products/forskolin.html

$$$$
PF-562271.cdx
csChFnd80/06112513542D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C21H20F3N7O3S

>  <MolWeight> (118)
507.4888096

>  <Cat> (118)
S2890

>  <Name> (118)
PF-562271

>  <Synonyms> (118)
PF-00562271

>  <Target> (118)
CDK,FAK,Pyk2

>  <Form> (118)
free base

>  <CAS> (118)
717907-75-0

>  <URL> (118)
http://selleckchem.com/products/pf-562271.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C17H18N6

>  <MolWeight> (119)
306.36502

>  <Cat> (119)
S2902

>  <Name> (119)
S-Ruxolitinib (INCB018424)

>  <Synonyms> (119)
N/A

>  <Target> (119)
JAK

>  <Form> (119)
free base

>  <CAS> (119)
941685-37-6

>  <URL> (119)
http://selleckchem.com/products/s-ruxolitinib.html

$$$$
PF477736.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C22H25N7O2

>  <MolWeight> (120)
419.4796

>  <Cat> (120)
S2904

>  <Name> (120)
PF-477736

>  <Synonyms> (120)
PF-736, PF-00477736

>  <Target> (120)
Chk

>  <Form> (120)
free base

>  <CAS> (120)
952021-60-2

>  <URL> (120)
http://selleckchem.com/products/pf-477736.html

$$$$
Go 6983.cdx
csChFnd80/06112513542D

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 18 19  1  0  0  0  0
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 11 20  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 30 25  1  0  0  0  0
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 31 32  2  0  0  0  0
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 33 26  1  0  0  0  0
 31 21  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C26H26N4O3

>  <MolWeight> (121)
442.50964

>  <Cat> (121)
S2911

>  <Name> (121)
Go 6983

>  <Synonyms> (121)
GOE 6983, G? 6983

>  <Target> (121)
PKC

>  <Form> (121)
free base

>  <CAS> (121)
133053-19-7

>  <URL> (121)
http://selleckchem.com/products/go-6983.html

$$$$
IOX2.cdx
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
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  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C19H16N2O5

>  <MolWeight> (122)
352.34074

>  <Cat> (122)
S2919

>  <Name> (122)
IOX2

>  <Synonyms> (122)
JICL38

>  <Target> (122)
HIF

>  <Form> (122)
free base

>  <CAS> (122)
931398-72-0

>  <URL> (122)
http://selleckchem.com/products/iox2.html

$$$$
Clevudine.cdx
csChFnd80/06112513542D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C10H13FN2O5

>  <MolWeight> (123)
260.2190232

>  <Cat> (123)
S3001

>  <Name> (123)
Clevudine

>  <Synonyms> (123)
Levovir,L-FMAU

>  <Target> (123)
DNA/RNA Synthesis

>  <Form> (123)
free base

>  <CAS> (123)
163252-36-6

>  <URL> (123)
http://selleckchem.com/products/clevudine-levovir.html

$$$$
aicar.cdx
csChFnd80/06112513542D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C9H14N4O5

>  <MolWeight> (124)
258.23126

>  <Cat> (124)
S1802

>  <Name> (124)
AICAR (Acadesine)

>  <Synonyms> (124)
NSC105823, AICA Riboside

>  <Target> (124)
AMPK,Mitophagy

>  <Form> (124)
free base

>  <CAS> (124)
2627-69-2

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

$$$$
PF-06405761.cdx
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C16H17N3O4S

>  <MolWeight> (125)
347.38888

>  <Cat> (125)
S1216

>  <Name> (125)
PFI-1 (PF-6405761)

>  <Synonyms> (125)
N/A

>  <Target> (125)
Epigenetic Reader Domain

>  <Form> (125)
free base

>  <CAS> (125)
1403764-72-6

>  <URL> (125)
http://selleckchem.com/products/pfl-1.html

$$$$
procaine hydrochloride.cdx
csChFnd80/06112513542D

 18 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    3.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 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
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C13H21ClN2O2

>  <MolWeight> (126)
272.77104

>  <Cat> (126)
S4023

>  <Name> (126)
Procaine HCl

>  <Synonyms> (126)
Novocaine HCl

>  <Target> (126)
AChR,NMDAR,Sodium Channel

>  <Form> (126)
HCl

>  <CAS> (126)
51-05-8

>  <URL> (126)
http://selleckchem.com/products/procaine-novocaine-hcl.html

$$$$
Tolcapone.cdx
csChFnd80/06112513542D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    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
    3.6373    4.2000    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
    7.2746    3.5000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    1.2124    4.2000    0.0000 N   0  3  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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  5  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
   10.9119    1.4000    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  2  0  0  0  0
  5 10  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 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 12 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C14H11NO5

>  <MolWeight> (127)
273.24084

>  <Cat> (127)
S4021

>  <Name> (127)
Tolcapone

>  <Synonyms> (127)
Ro 40-7592

>  <Target> (127)
COMT,Histone Methyltransferase,Transferase

>  <Form> (127)
free base

>  <CAS> (127)
134308-13-7

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

$$$$
SC-514.cdx
csChFnd80/06112513542D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.6891    2.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533    0.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705    0.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516    2.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991    3.0050    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0572    1.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0672    2.2332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029    3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0857    3.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3046    1.8787    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    3.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.3984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  4 11  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C9H8N2OS2

>  <MolWeight> (128)
224.30262

>  <Cat> (128)
S4907

>  <Name> (128)
SC-514

>  <Synonyms> (128)
GK 01140

>  <Target> (128)
I¦ÊB/IKK

>  <Form> (128)
free base

>  <CAS> (128)
354812-17-2

>  <URL> (128)
http://selleckchem.com/products/sc-514.html

$$$$
Pirarubicin.cdx
csChFnd80/06112513542D

 47 52  0  0  0  0  0  0  0  0999 V2000
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  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
    4.8455    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  1  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
    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
    6.0538    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.4903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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 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> (129)
129

>  <Formula> (129)
C32H37NO12

>  <MolWeight> (129)
627.63568

>  <Cat> (129)
S1393

>  <Name> (129)
Pirarubicin (NSC-333054)

>  <Synonyms> (129)
NSC-333054,THP

>  <Target> (129)
Antineoplastic and Immunosuppressive Antibiotics,Topoisomerase

>  <Form> (129)
free base

>  <CAS> (129)
72496-41-4

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

$$$$
sodium phenylbutyrate.cdx
csChFnd80/06112513542D

 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> (130)
130

>  <Formula> (130)
C10H11NaO2

>  <MolWeight> (130)
186.18291

>  <Cat> (130)
S4125

>  <Name> (130)
Sodium Phenylbutyrate

>  <Synonyms> (130)
4-PBA, 4-Phenylbutyric acid, NaPB

>  <Target> (130)
HDAC

>  <Form> (130)
Sodium Salt

>  <CAS> (130)
1716-12-7

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

$$$$
triclabendazole.cdx
csChFnd80/06112513542D

 21 23  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
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    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
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7215    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  8 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  8  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C14H9Cl3N2OS

>  <MolWeight> (131)
359.65806

>  <Cat> (131)
S4114

>  <Name> (131)
Triclabendazole

>  <Synonyms> (131)
CGA-89317,tcbz

>  <Target> (131)
Microtubule Associated

>  <Form> (131)
free base

>  <CAS> (131)
68786-66-3

>  <URL> (131)
http://selleckchem.com/products/triclabendazole.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/06112513542D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3451    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
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 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> (132)
132

>  <Formula> (132)
C16H19N3O4S

>  <MolWeight> (132)
349.40476

>  <Cat> (132)
S2693

>  <Name> (132)
Resminostat

>  <Synonyms> (132)
RAS2410

>  <Target> (132)
HDAC

>  <Form> (132)
free base

>  <CAS> (132)
864814-88-0

>  <URL> (132)
http://selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/06112513542D

 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> (133)
133

>  <Formula> (133)
C9H12ClNR

>  <MolWeight> (133)
169.65128

>  <Cat> (133)
S4246

>  <Name> (133)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (133)
SKF-385 HCl, Parnate,2-PCPA

>  <Target> (133)
MAO

>  <Form> (133)
Hydrochloride

>  <CAS> (133)
1986-47-6

>  <URL> (133)
http://selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Flufenamic acid.cdx
csChFnd80/06112513542D

 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> (134)
134

>  <Formula> (134)
C14H10F3NO2

>  <MolWeight> (134)
281.2299096

>  <Cat> (134)
S4268

>  <Name> (134)
Flufenamic acid

>  <Synonyms> (134)
N/A

>  <Target> (134)
Immunology & Inflammation related

>  <Form> (134)
free base

>  <CAS> (134)
530-78-9

>  <URL> (134)
http://selleckchem.com/products/flufenamic-acid.html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/06112513542D

 33 33  0  0  0  0  0  0  0  0999 V2000
    6.0706    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    7.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8528    1.3085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 20 25  2  0  0  0  0
 19 20  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 26  1  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
  9 10  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C25H35ClN4O2S

>  <MolWeight> (135)
491.089

>  <Cat> (135)
S4900

>  <Name> (135)
Tenovin-6

>  <Synonyms> (135)
N/A

>  <Target> (135)
Dehydrogenase,p53,Sirtuin

>  <Form> (135)
free base

>  <CAS> (135)
1011557-82-6

>  <URL> (135)
http://selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/06112513542D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   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
    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    4.9980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  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
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C13H22ClN3O

>  <MolWeight> (136)
271.78628

>  <Cat> (136)
S4294

>  <Name> (136)
Procainamide HCl

>  <Synonyms> (136)
N/A

>  <Target> (136)
DNA Methyltransferase,Sodium Channel

>  <Form> (136)
Hydrochloride

>  <CAS> (136)
614-39-1

>  <URL> (136)
http://selleckchem.com/products/procainamide-hcl.html

$$$$
Meclofenamate sodium.cdx
csChFnd80/06112513542D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C14H10Cl2NNaO2

>  <MolWeight> (137)
318.13047

>  <Cat> (137)
S4295

>  <Name> (137)
Meclofenamate Sodium

>  <Synonyms> (137)
CI 583

>  <Target> (137)
COX,FTO

>  <Form> (137)
Sodium Salt

>  <CAS> (137)
6385-02-0

>  <URL> (137)
http://selleckchem.com/products/meclofenamate-sodium.html

$$$$
Daptomycin.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C72H101N17O26

>  <MolWeight> (138)
1620.67064

>  <Cat> (138)
S1373

>  <Name> (138)
Daptomycin (LY146032)

>  <Synonyms> (138)
Cubicin,LY146032

>  <Target> (138)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial,DNA/RNA Synthesis

>  <Form> (138)
free base

>  <CAS> (138)
103060-53-3

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

$$$$
R-Ruxolitinib.cdx
csChFnd80/06112513542D

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    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3505    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    9.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   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
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  9  5  1  0  0  0  0
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 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
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 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
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 19 20  1  0  0  0  0
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 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C17H18N6

>  <MolWeight> (139)
306.36502

>  <Cat> (139)
S1378

>  <Name> (139)
Ruxolitinib (INCB018424)

>  <Synonyms> (139)
INCB018424

>  <Target> (139)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (139)
free base

>  <CAS> (139)
941678-49-5

>  <URL> (139)
http://selleckchem.com/products/INCB18424.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/06112513542D

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    4.8455   11.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   12.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6298   12.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.8564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   14.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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 28 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  6  0  0  0
 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  1  6  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C25H31N7O6

>  <MolWeight> (140)
525.55694

>  <Cat> (140)
S2018

>  <Name> (140)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (140)
N/A

>  <Target> (140)
Aurora Kinase,FLT3,VEGFR

>  <Form> (140)
free base

>  <CAS> (140)
1291074-87-7

>  <URL> (140)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/06112513542D

 31 32  0  0  0  0  0  0  0  0999 V2000
    8.4322    8.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    7.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8046    5.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7845    7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    4.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1752    4.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6416    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 20  1  0  0  0  0
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 25 20  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C21H28Cl2N6O2

>  <MolWeight> (141)
467.39202

>  <Cat> (141)
S1096

>  <Name> (141)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (141)
N/A

>  <Target> (141)
HDAC

>  <Form> (141)
Dihydrochloride

>  <CAS> (141)
875320-31-3

>  <URL> (141)
http://selleckchem.com/products/JNJ-26481585.html

$$$$
Danthron.cdx
csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    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
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
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 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C14H8O4

>  <MolWeight> (142)
240.21092

>  <Cat> (142)
S4561

>  <Name> (142)
Danthron

>  <Synonyms> (142)
chrysazin, Antrapurol

>  <Target> (142)
AMPK

>  <Form> (142)
free base

>  <CAS> (142)
117-10-2

>  <URL> (142)
http://selleckchem.com/products/danthron.html

$$$$
Pantoprazole sodium.cdx
csChFnd80/06112513542D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.1061    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (143)
143

>  <Formula> (143)
C16H14F2N3NaO4S

>  <MolWeight> (143)
405.3516364

>  <Cat> (143)
S4538

>  <Name> (143)
Pantoprazole sodium

>  <Synonyms> (143)
SKF96022 sodium, BY-1023 sodium

>  <Target> (143)
ATPase,Proton Pump

>  <Form> (143)
Free Base

>  <CAS> (143)
138786-67-1

>  <URL> (143)
http://selleckchem.com/products/pantoprazole-sodium.html

$$$$

csChFnd80/06112513542D

 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> (144)
144

>  <Formula> (144)
C20H28Cl3N3O3

>  <MolWeight> (144)
464.81362

>  <Cat> (144)
S4589

>  <Name> (144)
Amodiaquine dihydrochloride dihydrate

>  <Synonyms> (144)
N/A

>  <Target> (144)
Histone Methyltransferase,HNMT,Transferase

>  <Form> (144)
dihydrochloride dihydrate

>  <CAS> (144)
6398-98-7

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

$$$$

csChFnd80/06112513542D

 49 50  0  0  0  0  0  0  0  0999 V2000
    7.5197    4.8341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.2978    4.8341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8341    8.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6124    8.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3904    8.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    7.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    3.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1859    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6671    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    4.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5008    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2046    3.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6298    3.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8343    0.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0372    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5567    3.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963    2.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8715    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9266    8.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    7.2604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    3.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8356    2.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    4.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0019    1.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1504    1.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8543    3.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2797    3.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2800    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4840    0.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6869    0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3723    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801    5.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2064    3.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9460    2.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5212    1.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6497    1.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3723    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7801    6.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    8.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 36  2  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 41  1  0  0  0  0
 32 42  1  0  0  0  0
 33 38  1  0  0  0  0
 33 40  2  0  0  0  0
 34 37  1  0  0  0  0
 34 39  2  0  0  0  0
 35 43  1  0  0  0  0
 36 44  1  0  0  0  0
 37 38  2  0  0  0  0
 39 45  1  0  0  0  0
 40 46  1  0  0  0  0
 41 47  1  0  0  0  0
 42 48  1  0  0  0  0
 43 45  2  0  0  0  0
 44 46  2  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C42H50Cl2N2O3

>  <MolWeight> (145)
701.764

>  <Cat> (145)
S4635

>  <Name> (145)
Cyproheptadine hydrochloride sesquihydrate

>  <Synonyms> (145)
Periactin hydrochloride, Peritol

>  <Target> (145)
5-HT Receptor,SETD

>  <Form> (145)
hydrochloride sesquihydrate

>  <CAS> (145)
41354-29-4

>  <URL> (145)
https://www.selleckchem.com/products/cyproheptadine-hydrochloride-sesquihydrate.html

$$$$
S4609 Diflunisal.cdx
csChFnd80/06112513542D

 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> (146)
146

>  <Formula> (146)
C13H8F2O3

>  <MolWeight> (146)
250.1976264

>  <Cat> (146)
S4609

>  <Name> (146)
Diflunisal

>  <Synonyms> (146)
Dolobid, Dolobis, Flovacil, Fluniget,MK-647

>  <Target> (146)
COX

>  <Form> (146)
free base

>  <CAS> (146)
22494-42-4

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

$$$$
S4715 Benzamide.cdx
csChFnd80/06112513542D

  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> (147)
147

>  <Formula> (147)
C7H7NO

>  <MolWeight> (147)
121.13658

>  <Cat> (147)
S4715

>  <Name> (147)
Benzamide

>  <Target> (147)
PARP

>  <Form> (147)
free base

>  <CAS> (147)
55-21-0

>  <URL> (147)
http://selleckchem.com/products/benzamide.html

$$$$
Pantoprazole.cdx
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6991    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C16H15F2N3O4S

>  <MolWeight> (148)
383.3698064

>  <Cat> (148)
S2105

>  <Name> (148)
Pantoprazole

>  <Synonyms> (148)
SKFSKF96022, BY-1023

>  <Target> (148)
ATPase,Proton Pump

>  <Form> (148)
free base

>  <CAS> (148)
102625-70-7

>  <URL> (148)
http://selleckchem.com/products/pantoprazole-protonix.html

$$$$
S4710 Picolinamide.cdx
csChFnd80/06112513542D

  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> (149)
149

>  <Formula> (149)
C6H6N2O

>  <MolWeight> (149)
122.12464

>  <Cat> (149)
S4710

>  <Name> (149)
Picolinamide

>  <Synonyms> (149)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (149)
PARP

>  <Form> (149)
free base

>  <CAS> (149)
1452-77-3

>  <URL> (149)
http://selleckchem.com/products/picolinamide.html

$$$$
MK4827.cdx
csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C19H20N4O

>  <MolWeight> (150)
320.3883

>  <Cat> (150)
S2741

>  <Name> (150)
Niraparib (MK-4827)

>  <Target> (150)
Apoptosis related,PARP

>  <Form> (150)
Free Base

>  <CAS> (150)
1038915-60-4

>  <URL> (150)
http://selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/06112513542D

 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> (151)
151

>  <Formula> (151)
C36H30O16

>  <MolWeight> (151)
718.6138

>  <Cat> (151)
S4735

>  <Name> (151)
Salvianolic acid B

>  <Synonyms> (151)
Sal B, Lithospermate B, Lithospermic acid B

>  <Target> (151)
Sirtuin

>  <Form> (151)
free base

>  <CAS> (151)
121521-90-2

>  <URL> (151)
http://selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/06112513542D

 47 51  0  0  0  0  0  0  0  0999 V2000
    9.7222   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.6373    9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8415    8.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6294   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4699    8.7814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0311    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8481    6.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8583   11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4266   11.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4958    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2783    9.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0807   10.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2042    8.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0228    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2227   10.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3034    6.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0655    8.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3278   11.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0306    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5061    5.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0244    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2557    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4084    5.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3767    4.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9083    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4464    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3419    2.0782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0892    4.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6888    3.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3637    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5598    1.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2490    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9804    4.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6966    2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9950    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1428    2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7161    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5215    2.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0934    0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4170    9.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5406   10.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9270    2.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2029    7.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4157    8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  1  0  0  0
 29 33  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 36  1  0  0  0  0
 34 39  2  0  0  0  0
 34 40  1  0  0  0  0
 37 41  2  0  0  0  0
 37 42  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  2  0  0  0  0
 14 43  1  0  0  0  0
 19 44  1  0  0  0  0
 26 45  1  0  0  0  0
 45 34  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C37H42Cl2N2O6

>  <MolWeight> (152)
681.64518

>  <Cat> (152)
S3609

>  <Name> (152)
Berbamine dihydrochloride

>  <Synonyms> (152)
BA, BBM

>  <Target> (152)
Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (152)
dihydrochloride

>  <CAS> (152)
6078-17-7

>  <URL> (152)
http://selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/06112513542D

 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> (153)
153

>  <Formula> (153)
C11H8O3

>  <MolWeight> (153)
188.17942

>  <Cat> (153)
S3661

>  <Name> (153)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (153)
N/A

>  <Target> (153)
PKC

>  <Form> (153)
free base

>  <CAS> (153)
2348-82-5

>  <URL> (153)
http://selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3656 Piribedil.cdx
csChFnd80/06112513542D

 22 25  0  0  0  0  0  0  0  0999 V2000
   10.9049    4.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9049    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369    4.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2351    2.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0596    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2741    4.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    4.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    4.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    4.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.8064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.8050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.7008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2118    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  2  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
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C16H18N4O2

>  <MolWeight> (154)
298.33972

>  <Cat> (154)
S3656

>  <Name> (154)
Piribedil

>  <Synonyms> (154)
Trivastal, Trivastan

>  <Target> (154)
Adrenergic Receptor,Dopamine Receptor

>  <Form> (154)
free base

>  <CAS> (154)
3605-01-4

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

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/06112513542D

 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> (155)
155

>  <Formula> (155)
C6H14ClNO5

>  <MolWeight> (155)
215.63206

>  <Cat> (155)
S3694

>  <Name> (155)
Glucosamine hydrochloride

>  <Synonyms> (155)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (155)
Others

>  <Form> (155)
hydrochloride

>  <CAS> (155)
66-84-2

>  <URL> (155)
http://selleckchem.com/products/glucosamine-hydrochloride.html

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/06112513542D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    2.4488    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    0.9175    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
A   16
?xHCl?
A   17
?xH2O?
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C13H14N2R2

>  <MolWeight> (156)
198.26366

>  <Cat> (156)
S3639

>  <Name> (156)
Tacrine hydrochloride hydrate

>  <Synonyms> (156)
Tacrine, Tetrahydroaminacrine, Tetrahydroaminoacridine

>  <Target> (156)
AChR,HNMT

>  <Form> (156)
hydrochloride hydrate

>  <CAS> (156)
206658-92-6

>  <URL> (156)
http://selleckchem.com/products/tacrine-hydrochloride-hydrate.html

$$$$
S4758 Crocin.cdx
csChFnd80/06112513542D

 68 71  0  0  0  0  0  0  0  0999 V2000
    7.2378   10.4814    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2182    9.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4479   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1027   11.1579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0413    8.4734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4433   12.5793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436   10.5636    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0980   12.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    9.1160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0459    7.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6560   13.2848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289   11.2596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    8.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358    6.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8525   12.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6632   14.6497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6210    7.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8404    4.9694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0012   13.3071    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9249   15.3170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4484   15.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109    6.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0588   14.5693    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2159   12.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890   16.7155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    4.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3054   15.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2206   11.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2055    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    2.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0598    2.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4847    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2792    0.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9095    2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3344    2.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3298    4.2975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    2.2016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5399    5.0016    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7281    4.1912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5673    6.3650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9899    4.8889    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8658    6.9552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3537    7.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2046    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9898    6.2090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.9644    8.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4109    4.8947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1999    6.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6276    4.1977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6520    2.8026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9344    4.9177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.7881    2.1028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.1332    4.1248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.9298    6.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7305    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3820    4.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5204    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    7.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1289    0.7984    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  1  0  0  0
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  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
 11  6  1  1  0  0  0
  7 12  1  1  0  0  0
  7  9  1  0  0  0  0
  9 13  1  6  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  6  0  0  0
 17 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  1  0  0  0
 20 23  1  0  0  0  0
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 46 48  1  0  0  0  0
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 47 50  1  6  0  0  0
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 49 53  1  1  0  0  0
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 17 67  1  0  0  0  0
 41 68  1  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C44H64O24

>  <MolWeight> (157)
976.96456

>  <Cat> (157)
S4758

>  <Name> (157)
Crocin

>  <Synonyms> (157)
Alpha-Crocin, Gardenia Yellow

>  <Target> (157)
Apoptosis related

>  <Form> (157)
free base

>  <CAS> (157)
42553-65-1

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

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/06112513542D

 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
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    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> (158)
158

>  <Formula> (158)
C11H12O5

>  <MolWeight> (158)
224.20998

>  <Cat> (158)
S3981

>  <Name> (158)
Sinapinic Acid

>  <Synonyms> (158)
Sinapic acid

>  <Target> (158)
ACE,HDAC

>  <Form> (158)
free base

>  <CAS> (158)
530-59-6

>  <URL> (158)
http://selleckchem.com/products/sinapinic-acid.html

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/06112513542D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6909    4.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0173    4.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7582    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9804    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7583    0.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4280    2.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
  4  7  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C18H22O4

>  <MolWeight> (159)
302.36488

>  <Cat> (159)
S3984

>  <Name> (159)
Nordihydroguaiaretic acid (NDGA)

>  <Synonyms> (159)
N/A

>  <Target> (159)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HER2,IGF-1R,Lipoxygenase

>  <Form> (159)
free base

>  <CAS> (159)
500-38-9

>  <URL> (159)
http://selleckchem.com/products/nordihydroguaiaretic-acid.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C19H20O5

>  <MolWeight> (160)
328.3591

>  <Cat> (160)
S3819

>  <Name> (160)
Decursinol angelate

>  <Synonyms> (160)
N/A

>  <Target> (160)
PKC

>  <Form> (160)
free base

>  <CAS> (160)
130848-06-5

>  <URL> (160)
http://selleckchem.com/products/decursinol-angelate.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/06112513542D

 21 21  0  0  0  0  0  0  0  0999 V2000
    4.8540    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   13.3411    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7660    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789    6.2939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    2.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    4.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    0.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0921    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  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
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
  1 12  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C17H26O4

>  <MolWeight> (161)
294.38594

>  <Cat> (161)
S3836

>  <Name> (161)
6-Gingerol

>  <Synonyms> (161)
N/A

>  <Target> (161)
Apoptosis related

>  <Form> (161)
free base

>  <CAS> (161)
23513-14-6

>  <URL> (161)
http://selleckchem.com/products/6-gingerol.html

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/06112513542D

 47 52  0  0  0  0  0  0  0  0999 V2000
   14.5413    4.9362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3308    4.2329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7557    4.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3271    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5376    6.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3346    2.8328    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1165    4.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9662    4.9427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7595    2.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C40H58O4

>  <MolWeight> (162)
602.88612

>  <Cat> (162)
S3957

>  <Name> (162)
Gamma-Oryzanol

>  <Synonyms> (162)
N/A

>  <Target> (162)
DNA Methyltransferase

>  <Form> (162)
free base

>  <CAS> (162)
11042-64-1

>  <URL> (162)
http://selleckchem.com/products/gamma-oryzanol.html

$$$$
S3878 Bavachinin.cdx
csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C21H22O4

>  <MolWeight> (163)
338.39698

>  <Cat> (163)
S3878

>  <Name> (163)
Bavachinin

>  <Synonyms> (163)
7-O-Methylbavachin

>  <Target> (163)
PPAR

>  <Form> (163)
free base

>  <CAS> (163)
19879-30-2

>  <URL> (163)
http://selleckchem.com/products/bavachinin.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C24H26O6

>  <MolWeight> (164)
410.45964

>  <Cat> (164)
S3804

>  <Name> (164)
Alpha-Mangostin

>  <Synonyms> (164)
N/A

>  <Target> (164)
Dehydrogenase,STING

>  <Form> (164)
free base

>  <CAS> (164)
6147-11-1

>  <URL> (164)
http://selleckchem.com/products/alpha-mangostin.html

$$$$
S3781 Ginkgolide C.cdx
csChFnd80/06112513542D

 32 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C20H24O11

>  <MolWeight> (165)
440.39796

>  <Cat> (165)
S3781

>  <Name> (165)
Ginkgolide C

>  <Synonyms> (165)
BN-52022

>  <Target> (165)
MMP

>  <Form> (165)
free base

>  <CAS> (165)
15291-76-6

>  <URL> (165)
http://selleckchem.com/products/ginkgolide-c.html

$$$$
PP2.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (166)
166

>  <Formula> (166)
C15H16ClN5

>  <MolWeight> (166)
301.77404

>  <Cat> (166)
S7008

>  <Name> (166)
PP2

>  <Synonyms> (166)
AG 1879,AGL 1879

>  <Target> (166)
Src

>  <Form> (166)
free base

>  <CAS> (166)
172889-27-9

>  <URL> (166)
http://selleckchem.com/products/pp2.html

$$$$
EPZ004777.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (167)
167

>  <Formula> (167)
C28H41N7O4

>  <MolWeight> (167)
539.66964

>  <Cat> (167)
S7353

>  <Name> (167)
EPZ004777

>  <Synonyms> (167)
N/A

>  <Target> (167)
Apoptosis related,DOT1,Histone Methyltransferase

>  <Form> (167)
free base

>  <CAS> (167)
1338466-77-5

>  <URL> (167)
http://selleckchem.com/products/epz004777.html

$$$$
AGI5198.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C27H31FN4O2

>  <MolWeight> (168)
462.5590432

>  <Cat> (168)
S7185

>  <Name> (168)
AGI-5198

>  <Synonyms> (168)
IDH-C35

>  <Target> (168)
Dehydrogenase

>  <Form> (168)
free base

>  <CAS> (168)
1355326-35-0

>  <URL> (168)
http://selleckchem.com/products/agi-5198.html

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C6H15NO9S

>  <MolWeight> (169)
277.2496

>  <Cat> (169)
S3850

>  <Name> (169)
Glucosamine sulfate

>  <Synonyms> (169)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (169)
Others

>  <Form> (169)
sulfate

>  <CAS> (169)
29031-19-4

>  <URL> (169)
http://selleckchem.com/products/glucosamine-sulfate.html

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/06112513542D

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    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    6.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    4.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C20H16N2O5

>  <MolWeight> (170)
364.35144

>  <Cat> (170)
S3898

>  <Name> (170)
Hydroxy Camptothecine

>  <Synonyms> (170)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (170)
Topoisomerase

>  <Form> (170)
free base

>  <CAS> (170)
64439-81-2

>  <URL> (170)
http://selleckchem.com/products/hydroxy-camptothecine.html

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/06112513542D

 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> (171)
171

>  <Formula> (171)
C10H12O2

>  <MolWeight> (171)
164.20108

>  <Cat> (171)
S4771

>  <Name> (171)
¦Â-thujaplicin

>  <Synonyms> (171)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (171)
DNA Methyltransferase

>  <Form> (171)
free base

>  <CAS> (171)
499-44-5

>  <URL> (171)
http://selleckchem.com/products/beta-thujaplicin.html

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/06112513542D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C9H10N4O4

>  <MolWeight> (172)
238.2001

>  <Cat> (172)
S3988

>  <Name> (172)
Theophylline-7-acetic acid

>  <Synonyms> (172)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (172)
Adenosine Receptor

>  <Form> (172)
free base

>  <CAS> (172)
652-37-9

>  <URL> (172)
http://selleckchem.com/products/theophylline-7-acetic.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/06112513542D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C32H40O8

>  <MolWeight> (173)
552.6552

>  <Cat> (173)
S3832

>  <Name> (173)
Euphorbiasteroid

>  <Synonyms> (173)
Euphorbia factor L1

>  <Target> (173)
AMPK

>  <Form> (173)
free base

>  <CAS> (173)
28649-59-4

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/06112513542D

 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> (174)
174

>  <Formula> (174)
C25H36Cl2N2O3

>  <MolWeight> (174)
483.47094

>  <Cat> (174)
S5020

>  <Name> (174)
Tilorone dihydrochloride

>  <Synonyms> (174)
N/A

>  <Target> (174)
Antiviral,IFN

>  <Form> (174)
dihydrochloride

>  <CAS> (174)
27591-69-1

>  <URL> (174)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
Sodium valproate.cdx
csChFnd80/06112513542D

 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
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 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C8H15NaO2

>  <MolWeight> (175)
166.19327

>  <Cat> (175)
S1168

>  <Name> (175)
Valproic Acid (NSC 93819) sodium salt

>  <Synonyms> (175)
Sodium valproate,NSC 93819,2-Propylpentanoic Acid

>  <Target> (175)
Autophagy,GABA Receptor,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (175)
Sodium salt

>  <CAS> (175)
1069-66-5

>  <URL> (175)
http://selleckchem.com/products/Sodium-valproate.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/06112513542D

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    0.0000    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  8  1  1  0  0  0
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 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
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  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
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 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C29H36O15

>  <MolWeight> (176)
624.58714

>  <Cat> (176)
S2323

>  <Name> (176)
Methyl-Hesperidin

>  <Synonyms> (176)
N/A

>  <Target> (176)
Akt,PKC

>  <Form> (176)
free base

>  <CAS> (176)
11013-97-1

>  <URL> (176)
http://selleckchem.com/products/Methyl-Hesperidin.html

$$$$
SNS-314 Mesylate.cdx
csChFnd80/06112513542D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  6 10  1  0  0  0  0
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 17 13  2  0  0  0  0
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 29 30  1  0  0  0  0
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 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C19H19ClN6O4S3

>  <MolWeight> (177)
527.03996

>  <Cat> (177)
S1154

>  <Name> (177)
SNS-314

>  <Synonyms> (177)
N/A

>  <Target> (177)
Aurora Kinase

>  <Form> (177)
Mesylate

>  <CAS> (177)
1057249-41-8

>  <URL> (177)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
ACY-1215.cdx
csChFnd80/06112513542D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9320    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1403    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1403    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  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
  7  9  1  0  0  0  0
  8 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  8  1  0  0  0  0
  9 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  9  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C24H27N5O3

>  <MolWeight> (178)
433.50288

>  <Cat> (178)
S8001

>  <Name> (178)
Ricolinostat (ACY-1215)

>  <Synonyms> (178)
Rocilinostat

>  <Target> (178)
Apoptosis related,HDAC

>  <Form> (178)
free base

>  <CAS> (178)
1316214-52-4

>  <URL> (178)
http://selleckchem.com/products/rocilinostat-acy-1215.html

$$$$
Tenovin-1.cdx
csChFnd80/06112513542D

 26 27  0  0  0  0  0  0  0  0999 V2000
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   10.9246    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3579    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3579    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5703    6.3097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7828    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9952    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7828    4.2098    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
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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
  7  9  1  0  0  0  0
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  5 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
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 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 15  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> (179)
179

>  <Formula> (179)
C20H23N3O2S

>  <MolWeight> (179)
369.48052

>  <Cat> (179)
S8000

>  <Name> (179)
Tenovin-1

>  <Synonyms> (179)
N/A

>  <Target> (179)
Dehydrogenase,p53,Sirtuin

>  <Form> (179)
free base

>  <CAS> (179)
380315-80-0

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

$$$$
(+)-JQ1.cdx
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9352    9.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    8.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    7.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    7.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    9.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    5.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9343    5.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3568    2.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6540    3.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9088    8.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6266    9.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
  2 11  1  0  0  0  0
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 14  7  1  0  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C23H25ClN4O2S

>  <MolWeight> (180)
456.9882

>  <Cat> (180)
S7110

>  <Name> (180)
(+)-JQ1

>  <Synonyms> (180)
N/A

>  <Target> (180)
Autophagy,Epigenetic Reader Domain,NSD,Target Protein Ligand

>  <Form> (180)
free base

>  <CAS> (180)
1268524-70-4

>  <URL> (180)
http://selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
csChFnd80/06112513542D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9570    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    2.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0956    3.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    5.1221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015    5.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9972    6.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    6.3408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9726    8.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846    7.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4796    7.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5886    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2795    7.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5705    8.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737    8.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8771    9.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7901    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0874    7.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365    3.1160    0.0000 Cl  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  7  1  0  0  0  0
  7  1  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  2  0  0  0  0
 11  3  1  0  0  0  0
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 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C24H28ClN5O2

>  <MolWeight> (181)
453.96442

>  <Cat> (181)
S7070

>  <Name> (181)
GSK J4 HCl (GSKJ4 HCl)

>  <Synonyms> (181)
N/A

>  <Target> (181)
Histone Demethylase,JMJD

>  <Form> (181)
Hydrochloride

>  <CAS> (181)
1797983-09-5

>  <URL> (181)
http://selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/06112513542D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  1  1  0  0  0  0
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  1  4  1  1  0  0  0
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  2  6  1  0  0  0  0
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  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
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  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C9H12N2O5

>  <MolWeight> (182)
228.20198

>  <Cat> (182)
S7113

>  <Name> (182)
Zebularine (NSC 309132)

>  <Synonyms> (182)
4-Deoxyuridine

>  <Target> (182)
DNA Methyltransferase

>  <Form> (182)
free base

>  <CAS> (182)
3690-10-6

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

$$$$
AZD 2461.cdx
csChFnd80/06112513542D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C22H22FN3O3

>  <MolWeight> (183)
395.4267832

>  <Cat> (183)
S7029

>  <Name> (183)
AZD2461

>  <Synonyms> (183)
N/A

>  <Target> (183)
PARP

>  <Form> (183)
free base

>  <CAS> (183)
1174043-16-3

>  <URL> (183)
http://selleckchem.com/products/azd2461.html

$$$$
CPI-169.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (184)
184

>  <Formula> (184)
C27H36N4O5S

>  <MolWeight> (184)
528.66354

>  <Cat> (184)
S7616

>  <Name> (184)
CPI-169

>  <Synonyms> (184)
N/A

>  <Target> (184)
EZH1/2,Histone Methyltransferase

>  <Form> (184)
free base

>  <CAS> (184)
1450655-76-1

>  <URL> (184)
http://selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (185)
185

>  <Formula> (185)
C29H28N4O2

>  <MolWeight> (185)
464.55822

>  <Cat> (185)
S7843

>  <Name> (185)
BI-847325

>  <Synonyms> (185)
N/A

>  <Target> (185)
Aurora Kinase,MEK

>  <Form> (185)
free base

>  <CAS> (185)
1207293-36-4

>  <URL> (185)
http://selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (186)
186

>  <Formula> (186)
C21H14N2Na2O9S2

>  <MolWeight> (186)
548.4534

>  <Cat> (186)
S7884

>  <Name> (186)
AMI-1

>  <Synonyms> (186)
N/A

>  <Target> (186)
Histone Methyltransferase,PRMT

>  <Form> (186)
disodium salt

>  <CAS> (186)
20324-87-2

>  <URL> (186)
http://selleckchem.com/products/ami-1.html

$$$$
G007-LK.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C25H16ClN7O3S

>  <MolWeight> (187)
529.95764

>  <Cat> (187)
S7239

>  <Name> (187)
G007-LK

>  <Synonyms> (187)
N/A

>  <Target> (187)
PARP

>  <Form> (187)
free base

>  <CAS> (187)
1380672-07-0

>  <URL> (187)
http://selleckchem.com/products/g007-lk.html

$$$$
GSK503.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C31H38N6O2

>  <MolWeight> (188)
526.67242

>  <Cat> (188)
S7804

>  <Name> (188)
GSK503

>  <Synonyms> (188)
N/A

>  <Target> (188)
EZH1/2,Histone Methyltransferase

>  <Form> (188)
free base

>  <CAS> (188)
1346572-63-1

>  <URL> (188)
http://selleckchem.com/products/gsk503.html

$$$$
Oltipraz.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C8H6N2S3

>  <MolWeight> (189)
226.34164

>  <Cat> (189)
S7864

>  <Name> (189)
Oltipraz

>  <Synonyms> (189)
N/A

>  <Target> (189)
Nrf2

>  <Form> (189)
free base

>  <CAS> (189)
64224-21-1

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

$$$$
FLLL32.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C28H32O6

>  <MolWeight> (190)
464.55008

>  <Cat> (190)
S7259

>  <Name> (190)
FLLL32

>  <Synonyms> (190)
N/A

>  <Target> (190)
IFN,Interleukins,JAK

>  <Form> (190)
free base

>  <CAS> (190)
1226895-15-3

>  <URL> (190)
http://selleckchem.com/products/flll32.html

$$$$
CPI-360.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C25H31N3O4

>  <MolWeight> (191)
437.53134

>  <Cat> (191)
S7656

>  <Name> (191)
CPI-360

>  <Synonyms> (191)
N/A

>  <Target> (191)
EZH1/2,Histone Methyltransferase

>  <Form> (191)
free base

>  <CAS> (191)
1802175-06-9

>  <URL> (191)
http://selleckchem.com/products/cpi-360.html

$$$$
GSK2801.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C20H21NO4S

>  <MolWeight> (192)
371.45004

>  <Cat> (192)
S7231

>  <Name> (192)
GSK2801

>  <Synonyms> (192)
N/A

>  <Target> (192)
Epigenetic Reader Domain

>  <Form> (192)
free base

>  <CAS> (192)
1619994-68-1

>  <URL> (192)
http://selleckchem.com/products/gsk2801.html

$$$$
SirReal2.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C22H20N4OS2

>  <MolWeight> (193)
420.5504

>  <Cat> (193)
S7845

>  <Name> (193)
SirReal2

>  <Synonyms> (193)
N/A

>  <Target> (193)
Sirtuin

>  <Form> (193)
free base

>  <CAS> (193)
709002-46-0

>  <URL> (193)
http://selleckchem.com/products/sirreal2.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/06112513542D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C8H16O2

>  <MolWeight> (194)
144.21144

>  <Cat> (194)
S3944

>  <Name> (194)
Valproic acid (VPA)

>  <Synonyms> (194)
2-Propylvaleric Acid, Valproate

>  <Target> (194)
Autophagy,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (194)
free base

>  <CAS> (194)
99-66-1

>  <URL> (194)
http://selleckchem.com/products/valproic-acid.html

$$$$
Bromosporine.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (195)
195

>  <Formula> (195)
C17H20N6O4S

>  <MolWeight> (195)
404.4435

>  <Cat> (195)
S7233

>  <Name> (195)
Bromosporine

>  <Synonyms> (195)
N/A

>  <Target> (195)
Epigenetic Reader Domain

>  <Form> (195)
free base

>  <CAS> (195)
1619994-69-2

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

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C22H22ClN5O2

>  <MolWeight> (196)
423.89538

>  <Cat> (196)
S7189

>  <Name> (196)
Molibresib (I-BET-762)

>  <Synonyms> (196)
GSK525762, GSK525762A

>  <Target> (196)
Epigenetic Reader Domain

>  <Form> (196)
free base

>  <CAS> (196)
1260907-17-2

>  <URL> (196)
http://selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/06112513542D

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    6.3695    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C16H10BrN3O2

>  <MolWeight> (197)
356.1735

>  <Cat> (197)
S7198

>  <Name> (197)
BIO

>  <Synonyms> (197)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (197)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (197)
free base

>  <CAS> (197)
667463-62-9

>  <URL> (197)
http://selleckchem.com/products/bio.html

$$$$
OAC1.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C14H11N3O

>  <MolWeight> (198)
237.25664

>  <Cat> (198)
S7217

>  <Name> (198)
OAC1

>  <Synonyms> (198)
BAS 00287861

>  <Target> (198)
OCT

>  <Form> (198)
free base

>  <CAS> (198)
300586-90-7

>  <URL> (198)
http://selleckchem.com/products/oac1.html

$$$$
RGFP966.cdx
csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C21H19FN4O

>  <MolWeight> (199)
362.4001632

>  <Cat> (199)
S7229

>  <Name> (199)
RGFP966

>  <Synonyms> (199)
N/A

>  <Target> (199)
HDAC

>  <Form> (199)
free base

>  <CAS> (199)
1396841-57-8

>  <URL> (199)
http://selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/06112513542D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C23H26ClNO

>  <MolWeight> (200)
367.91164

>  <Cat> (200)
S8004

>  <Name> (200)
ZM 39923 HCl

>  <Synonyms> (200)
N/A

>  <Target> (200)
JAK

>  <Form> (200)
HCl

>  <CAS> (200)
1021868-92-7

>  <URL> (200)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/06112513542D

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   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C28H40BrN7O4

>  <MolWeight> (201)
618.5657

>  <Cat> (201)
S7079

>  <Name> (201)
SGC 0946

>  <Synonyms> (201)
N/A

>  <Target> (201)
DOT1,Histone Methyltransferase

>  <Form> (201)
free base

>  <CAS> (201)
1561178-17-3

>  <URL> (201)
http://selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/06112513542D

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    8.5518    7.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906    8.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    7.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    5.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    6.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1569    7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062   10.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C26H27N5O5S2

>  <MolWeight> (202)
553.65308

>  <Cat> (202)
S7207

>  <Name> (202)
Bisindolylmaleimide IX (Ro 31-8220 Mesylate)

>  <Synonyms> (202)
Bisindolylmaleimide IX Mesylate

>  <Target> (202)
PKC

>  <Form> (202)
Mesylate

>  <CAS> (202)
138489-18-6

>  <URL> (202)
http://selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/06112513542D

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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C27H23N7O

>  <MolWeight> (203)
461.51782

>  <Cat> (203)
S7276

>  <Name> (203)
SGI-1027

>  <Synonyms> (203)
DNA Methyltransferase Inhibitor II

>  <Target> (203)
Apoptosis related,DNA Methyltransferase

>  <Form> (203)
free base

>  <CAS> (203)
1020149-73-8

>  <URL> (203)
http://selleckchem.com/products/sgi-1027.html

$$$$
tacrine hydrochlorid.cdx
csChFnd80/06112513542D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 10  5  2  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C13H15ClN2

>  <MolWeight> (204)
234.7246

>  <Cat> (204)
S4357

>  <Name> (204)
Tacrine HCl

>  <Synonyms> (204)
N/A

>  <Target> (204)
AChR

>  <Form> (204)
hydrochlorid

>  <CAS> (204)
1684-40-8

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

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (205)
205

>  <Formula> (205)
C20H22N2O5

>  <MolWeight> (205)
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>  <Cat> (205)
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Apabetalone (RVX-208)

>  <Synonyms> (205)
RVX-000222

>  <Target> (205)
Epigenetic Reader Domain

>  <Form> (205)
free base

>  <CAS> (205)
1044870-39-4

>  <URL> (205)
http://selleckchem.com/products/rvx-208.html

$$$$
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csChFnd80/06112513542D

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>  <Mol_ID> (206)
206

>  <Formula> (206)
C25H28N6O2

>  <MolWeight> (206)
444.52882

>  <Cat> (206)
S7036

>  <Name> (206)
XL019

>  <Synonyms> (206)
N/A

>  <Target> (206)
JAK

>  <Form> (206)
free base

>  <CAS> (206)
945755-56-6

>  <URL> (206)
http://selleckchem.com/products/xl019.html

$$$$
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>  <Mol_ID> (207)
207

>  <Formula> (207)
C27H18F4N4O3S

>  <MolWeight> (207)
554.5154328

>  <Cat> (207)
S7291

>  <Name> (207)
TAK-632

>  <Synonyms> (207)
N/A

>  <Target> (207)
Raf

>  <Form> (207)
free base

>  <CAS> (207)
1228591-30-7

>  <URL> (207)
http://selleckchem.com/products/tak-632.html

$$$$
UNC1999.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (208)
208

>  <Formula> (208)
C33H43N7O2

>  <MolWeight> (208)
569.74022

>  <Cat> (208)
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>  <Name> (208)
UNC1999

>  <Synonyms> (208)
N/A

>  <Target> (208)
Apoptosis related,Autophagy,EZH1/2,Histone Methyltransferase

>  <Form> (208)
free base

>  <CAS> (208)
1431612-23-5

>  <URL> (208)
http://selleckchem.com/products/unc1999.html

$$$$
JIB04 (NSC693627).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C17H13ClN4

>  <MolWeight> (209)
308.76492

>  <Cat> (209)
S7281

>  <Name> (209)
JIB-04

>  <Synonyms> (209)
NSC 693627

>  <Target> (209)
Apoptosis related,Histone Demethylase,JMJD

>  <Form> (209)
free base

>  <CAS> (209)
199596-05-9

>  <URL> (209)
http://selleckchem.com/products/jib-04.html

$$$$
MM-102.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C35H49F2N7O4

>  <MolWeight> (210)
669.8048664

>  <Cat> (210)
S7265

>  <Name> (210)
MM-102

>  <Synonyms> (210)
HMTase Inhibitor IX

>  <Target> (210)
Histone Methyltransferase,MLL

>  <Form> (210)
free base

>  <CAS> (210)
1417329-24-8

>  <URL> (210)
http://selleckchem.com/products/mm-102.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C20H25N3O2

>  <MolWeight> (211)
339.4314

>  <Cat> (211)
S7292

>  <Name> (211)
RG2833 (RGFP109)

>  <Synonyms> (211)
N/A

>  <Target> (211)
HDAC

>  <Form> (211)
free base

>  <CAS> (211)
1215493-56-3

>  <URL> (211)
http://selleckchem.com/products/rg2833-rgfp109.html

$$$$
PF-562271.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C21H21ClF3N7O3S

>  <MolWeight> (212)
543.9497496

>  <Cat> (212)
S7357

>  <Name> (212)
PF-562271 HCl

>  <Synonyms> (212)
N/A

>  <Target> (212)
CDK,FAK,Pyk2

>  <Form> (212)
Hydrochloride

>  <CAS> (212)
939791-41-0

>  <URL> (212)
http://selleckchem.com/products/pf-562271-hcl.html

$$$$
WZ4003.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C25H29ClN6O3

>  <MolWeight> (213)
496.98916

>  <Cat> (213)
S7317

>  <Name> (213)
WZ4003

>  <Synonyms> (213)
N/A

>  <Target> (213)
AMPK

>  <Form> (213)
free base

>  <CAS> (213)
1214265-58-3

>  <URL> (213)
http://selleckchem.com/products/wz4003.html

$$$$
SGC-CBP30.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C28H33ClN4O3

>  <MolWeight> (214)
509.03962

>  <Cat> (214)
S7256

>  <Name> (214)
SGC-CBP30

>  <Synonyms> (214)
N/A

>  <Target> (214)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (214)
free base

>  <CAS> (214)
1613695-14-9

>  <URL> (214)
http://selleckchem.com/products/sgc-cbp30.html

$$$$
MK8745.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C20H19ClFN5OS

>  <MolWeight> (215)
431.9141632

>  <Cat> (215)
S7065

>  <Name> (215)
MK-8745

>  <Synonyms> (215)
N/A

>  <Target> (215)
Aurora Kinase

>  <Form> (215)
free base

>  <CAS> (215)
885325-71-3

>  <URL> (215)
http://selleckchem.com/products/mk-8745.html

$$$$
LM-3229 ME 0328.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C19H19N3O2

>  <MolWeight> (216)
321.37306

>  <Cat> (216)
S7438

>  <Name> (216)
ME0328

>  <Synonyms> (216)
N/A

>  <Target> (216)
PARP

>  <Form> (216)
free base

>  <CAS> (216)
1445251-22-8

>  <URL> (216)
http://selleckchem.com/products/me0328.html

$$$$
UNC669.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C15H20BrN3O

>  <MolWeight> (217)
338.2428

>  <Cat> (217)
S7373

>  <Name> (217)
UNC669

>  <Synonyms> (217)
N/A

>  <Target> (217)
Epigenetic Reader Domain

>  <Form> (217)
free base

>  <CAS> (217)
1314241-44-5

>  <URL> (217)
http://selleckchem.com/products/unc669.html

$$$$
OTX015.cdx
csChFnd80/06112513542D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C25H22ClN5O2S

>  <MolWeight> (218)
491.99248

>  <Cat> (218)
S7360

>  <Name> (218)
Birabresib (OTX015)

>  <Synonyms> (218)
MK 8628

>  <Target> (218)
Epigenetic Reader Domain,NSD

>  <Form> (218)
free base

>  <CAS> (218)
202590-98-5

>  <URL> (218)
http://selleckchem.com/products/otx015.html

$$$$
LM-3267.cdx
csChFnd80/06112513542D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C19H23N3O3

>  <MolWeight> (219)
341.40422

>  <Cat> (219)
S7473

>  <Name> (219)
Nexturastat A

>  <Synonyms> (219)
N/A

>  <Target> (219)
HDAC

>  <Form> (219)
free base

>  <CAS> (219)
1403783-31-2

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

$$$$
LM-3037 AGI-6780.cdx
csChFnd80/06112513542D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C21H18F3N3O3S2

>  <MolWeight> (220)
481.5111296

>  <Cat> (220)
S7241

>  <Name> (220)
AGI-6780

>  <Synonyms> (220)
N/A

>  <Target> (220)
Dehydrogenase

>  <Form> (220)
free base

>  <CAS> (220)
1432660-47-3

>  <URL> (220)
http://selleckchem.com/products/agi-6780.html

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/06112513542D

 12 11  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C6H9NO5

>  <MolWeight> (221)
175.13936

>  <Cat> (221)
S7483

>  <Name> (221)
DMOG

>  <Synonyms> (221)
Dimethyloxalylglycine

>  <Target> (221)
Autophagy,HIF,Hydroxylase

>  <Form> (221)
free base

>  <CAS> (221)
89464-63-1

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

$$$$
OG-L002.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (222)
222

>  <Formula> (222)
C15H15NO

>  <MolWeight> (222)
225.2857

>  <Cat> (222)
S7237

>  <Name> (222)
OG-L002

>  <Synonyms> (222)
N/A

>  <Target> (222)
Histone Demethylase,LSD1

>  <Form> (222)
free base

>  <CAS> (222)
1357302-64-7

>  <URL> (222)
http://selleckchem.com/products/og-l002.html

$$$$
C646.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C24H19N3O6

>  <MolWeight> (223)
445.42416

>  <Cat> (223)
S7152

>  <Name> (223)
C646

>  <Synonyms> (223)
N/A

>  <Target> (223)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (223)
free base

>  <CAS> (223)
328968-36-1

>  <URL> (223)
http://selleckchem.com/products/c646.html

$$$$
UNC1215.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C32H43N5O2

>  <MolWeight> (224)
529.71612

>  <Cat> (224)
S7088

>  <Name> (224)
UNC1215

>  <Synonyms> (224)
N/A

>  <Target> (224)
Epigenetic Reader Domain

>  <Form> (224)
free base

>  <CAS> (224)
1415800-43-9

>  <URL> (224)
http://selleckchem.com/products/nuc1215.html

$$$$
WIKI4.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C29H23N5O3S

>  <MolWeight> (225)
521.58962

>  <Cat> (225)
S7490

>  <Name> (225)
WIKI4

>  <Synonyms> (225)
N/A

>  <Target> (225)
PARP,Wnt/beta-catenin

>  <Form> (225)
free base

>  <CAS> (225)
838818-26-1

>  <URL> (225)
http://selleckchem.com/products/wiki4.html

$$$$
IOX1.cdx
csChFnd80/06112513542D

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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C10H7NO3

>  <MolWeight> (226)
189.16748

>  <Cat> (226)
S7234

>  <Name> (226)
IOX1

>  <Synonyms> (226)
N/A

>  <Target> (226)
Histone Demethylase,JMJD

>  <Form> (226)
free base

>  <CAS> (226)
5852-78-8

>  <URL> (226)
http://selleckchem.com/products/iox1.html

$$$$
AZD1208.cdx
csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6081    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C21H21N3O2S

>  <MolWeight> (227)
379.47534

>  <Cat> (227)
S7104

>  <Name> (227)
AZD1208

>  <Synonyms> (227)
N/A

>  <Target> (227)
Apoptosis related,Autophagy,Pim

>  <Form> (227)
free base

>  <CAS> (227)
1204144-28-4

>  <URL> (227)
http://selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/06112513542D

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.5195    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4358    3.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C26H25Cl2N3O3

>  <MolWeight> (228)
498.401

>  <Cat> (228)
S7041

>  <Name> (228)
CX-6258 HCl

>  <Synonyms> (228)
N/A

>  <Target> (228)
Pim

>  <Form> (228)
Hydrochloride

>  <CAS> (228)
1353859-00-3

>  <URL> (228)
http://selleckchem.com/products/CX-6258.html

$$$$
XMD8-92.cdx
csChFnd80/06112513542D

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 13  7  1  0  0  0  0
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 20 24  1  0  0  0  0
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 28 21  1  0  0  0  0
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 35 26  1  0  0  0  0
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C26H30N6O3

>  <MolWeight> (229)
474.5548

>  <Cat> (229)
S7525

>  <Name> (229)
XMD8-92

>  <Synonyms> (229)
N/A

>  <Target> (229)
Epigenetic Reader Domain,ERK

>  <Form> (229)
free base

>  <CAS> (229)
1234480-50-2

>  <URL> (229)
http://selleckchem.com/products/xmd8-92.html

$$$$
PI-1840.cdx
csChFnd80/06112513542D

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C22H26N4O3

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S7462

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PI-1840

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N/A

>  <Target> (230)
Proteasome

>  <Form> (230)
free base

>  <CAS> (230)
1401223-22-0

>  <URL> (230)
http://selleckchem.com/products/pi-1840.html

$$$$
CPI203 .cdx
csChFnd80/06112513542D

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CPI-203

>  <Synonyms> (231)
N/A

>  <Target> (231)
Epigenetic Reader Domain

>  <Form> (231)
free base

>  <CAS> (231)
1446144-04-2

>  <URL> (231)
http://selleckchem.com/products/cpi-203.html

$$$$
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csChFnd80/06112513542D

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>  <Mol_ID> (232)
232

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C25H21F3N4O3S

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TMP269

>  <Synonyms> (232)
N/A

>  <Target> (232)
HDAC

>  <Form> (232)
free base

>  <CAS> (232)
1314890-29-3

>  <URL> (232)
http://selleckchem.com/products/tmp269.html

$$$$
MG149.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (233)
233

>  <Formula> (233)
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>  <MolWeight> (233)
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>  <Cat> (233)
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>  <Name> (233)
MG149

>  <Synonyms> (233)
Tip60 HAT inhibitor

>  <Target> (233)
Histone Acetyltransferase

>  <Form> (233)
free base

>  <CAS> (233)
1243583-85-8

>  <URL> (233)
http://selleckchem.com/products/mg149.html

$$$$
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>  <Mol_ID> (234)
234

>  <Formula> (234)
C26H26F3N7O2

>  <MolWeight> (234)
525.5255496

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S7309

>  <Name> (234)
BAY 87-2243

>  <Synonyms> (234)
N/A

>  <Target> (234)
Ferroptosis,HIF,Mitochondrial Metabolism,ROS

>  <Form> (234)
Free Base

>  <CAS> (234)
1227158-85-1

>  <URL> (234)
http://selleckchem.com/products/bay-87-2243.html

$$$$
Go6976.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (235)
235

>  <Formula> (235)
C24H18N4O

>  <MolWeight> (235)
378.42592

>  <Cat> (235)
S7119

>  <Name> (235)
Go6976

>  <Synonyms> (235)
PD406976

>  <Target> (235)
FLT3,JAK,PKC

>  <Form> (235)
free base

>  <CAS> (235)
136194-77-9

>  <URL> (235)
http://selleckchem.com/products/go6976.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C15H22N2O3

>  <MolWeight> (236)
278.34678

>  <Cat> (236)
S7595

>  <Name> (236)
Santacruzamate A (CAY10683)

>  <Synonyms> (236)
N/A

>  <Target> (236)
HDAC

>  <Form> (236)
free base

>  <CAS> (236)
1477949-42-0

>  <URL> (236)
http://selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/06112513542D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C21H23N5O3S

>  <MolWeight> (237)
425.50402

>  <Cat> (237)
S7605

>  <Name> (237)
Filgotinib (GLPG0634)

>  <Synonyms> (237)
N/A

>  <Target> (237)
JAK

>  <Form> (237)
free base

>  <CAS> (237)
1206161-97-8

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

$$$$
PFI-3.cdx
csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (238)
238

>  <Formula> (238)
C19H19N3O2

>  <MolWeight> (238)
321.37306

>  <Cat> (238)
S7315

>  <Name> (238)
PFI-3

>  <Synonyms> (238)
N/A

>  <Target> (238)
Epigenetic Reader Domain

>  <Form> (238)
free base

>  <CAS> (238)
1819363-80-8

>  <URL> (238)
http://selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/06112513542D

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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    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
    9.6995    3.5000    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
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
   13.3368    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
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 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C20H17F3N2O4

>  <MolWeight> (239)
406.3551896

>  <Cat> (239)
S7617

>  <Name> (239)
Tasquinimod

>  <Synonyms> (239)
ABR-215050

>  <Target> (239)
HDAC

>  <Form> (239)
free base

>  <CAS> (239)
254964-60-8

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

$$$$
AGK 2.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8229    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451    3.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5427    4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    7.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    7.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8294    6.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6471    3.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0470    3.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  3  4  3  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 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
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C23H13Cl2N3O2

>  <MolWeight> (240)
434.27422

>  <Cat> (240)
S7577

>  <Name> (240)
AGK2

>  <Synonyms> (240)
N/A

>  <Target> (240)
Sirtuin

>  <Form> (240)
free base

>  <CAS> (240)
304896-28-4

>  <URL> (240)
http://selleckchem.com/products/agk2.html

$$$$
Anacardic Acid.cdx
csChFnd80/06112513542D

 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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C22H36O3

>  <MolWeight> (241)
348.51944

>  <Cat> (241)
S7582

>  <Name> (241)
Anacardic Acid

>  <Synonyms> (241)
6-pentadecylsalicylic Acid

>  <Target> (241)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (241)
free base

>  <CAS> (241)
16611-84-0

>  <URL> (241)
http://selleckchem.com/products/anacardic-acid.html

$$$$
Splitomicin.cdx
csChFnd80/06112513542D

 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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 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
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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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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  1  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C13H10O2

>  <MolWeight> (242)
198.2173

>  <Cat> (242)
S7593

>  <Name> (242)
Splitomicin

>  <Synonyms> (242)
N/A

>  <Target> (242)
HDAC

>  <Form> (242)
free base

>  <CAS> (242)
5690-03-9

>  <URL> (242)
http://selleckchem.com/products/splitomicin.html

$$$$
URMC-099.cdx
csChFnd80/06112513542D

 32 37  0  0  0  0  0  0  0  0999 V2000
    3.6873    8.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    7.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6989    5.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9011    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C27H27N5

>  <MolWeight> (243)
421.53678

>  <Cat> (243)
S7343

>  <Name> (243)
URMC-099

>  <Synonyms> (243)
N/A

>  <Target> (243)
Autophagy,Bcr-Abl,LRRK2,Mixed Lineage Kinase

>  <Form> (243)
free base

>  <CAS> (243)
1229582-33-5

>  <URL> (243)
http://selleckchem.com/products/urmc-099.html

$$$$
PFI-2.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C23H25F4N3O3S

>  <MolWeight> (244)
499.5215128

>  <Cat> (244)
S7294

>  <Name> (244)
PFI-2 HCl

>  <Synonyms> (244)
N/A

>  <Target> (244)
Histone Methyltransferase,SETD

>  <Form> (244)
Hydrochloride

>  <CAS> (244)
1627607-87-7

>  <URL> (244)
http://selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C18H25N5S2

>  <MolWeight> (245)
375.5546

>  <Cat> (245)
S7619

>  <Name> (245)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (245)
N/A

>  <Target> (245)
Histone Methyltransferase,MLL

>  <Form> (245)
free base

>  <CAS> (245)
1271738-59-0

>  <URL> (245)
http://selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Remodelin.cdx
csChFnd80/06112513542D

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M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C15H15BrN4S

>  <MolWeight> (246)
363.2754

>  <Cat> (246)
S7641

>  <Name> (246)
Remodelin hydrobromide

>  <Synonyms> (246)
Remodelin HBr

>  <Target> (246)
Histone Acetyltransferase

>  <Form> (246)
hydrobromide

>  <CAS> (246)
1622921-15-6

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

$$$$
G-749.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C25H25BrN6O2

>  <MolWeight> (247)
521.409

>  <Cat> (247)
S7545

>  <Name> (247)
G-749

>  <Synonyms> (247)
N/A

>  <Target> (247)
FLT3

>  <Form> (247)
free base

>  <CAS> (247)
1457983-28-6

>  <URL> (247)
http://selleckchem.com/products/g-749.html

$$$$
GF 109203X(G 6850).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C25H24N4O2

>  <MolWeight> (248)
412.48366

>  <Cat> (248)
S7208

>  <Name> (248)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (248)
GO 6850

>  <Target> (248)
PKC

>  <Form> (248)
free base

>  <CAS> (248)
133052-90-1

>  <URL> (248)
http://selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C17H18ClN3O2

>  <MolWeight> (249)
331.79672

>  <Cat> (249)
S7300

>  <Name> (249)
PJ34 HCl

>  <Synonyms> (249)
N/A

>  <Target> (249)
PARP

>  <Form> (249)
Hydrochloride

>  <CAS> (249)
344458-15-7

>  <URL> (249)
http://selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/06112513542D

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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C20H28ClN7O3S

>  <MolWeight> (250)
481.99942

>  <Cat> (250)
S7634

>  <Name> (250)
Cerdulatinib (PRT062070) hydrochloride

>  <Synonyms> (250)
PRT2070 hydrochloride

>  <Target> (250)
JAK,Syk

>  <Form> (250)
hydrochloride

>  <CAS> (250)
1369761-01-2

>  <URL> (250)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C18H25N5S2

>  <MolWeight> (251)
375.5546

>  <Cat> (251)
S7618

>  <Name> (251)
MI-2 (Menin-MLL Inhibitor)

>  <Synonyms> (251)
N/A

>  <Target> (251)
Histone Methyltransferase,MLL

>  <Form> (251)
free base

>  <CAS> (251)
1271738-62-5

>  <URL> (251)
http://selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
DTP3.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C26H35N7O5

>  <MolWeight> (252)
525.6

>  <Cat> (252)
S7637

>  <Name> (252)
DTP3

>  <Synonyms> (252)
N/A

>  <Target> (252)
DNA/RNA Synthesis,JNK,NF-¦ÊB

>  <Form> (252)
free base

>  <CAS> (252)
1809784-29-9

>  <URL> (252)
http://selleckchem.com/products/dtp3.html

$$$$
SP2509.cdx
csChFnd80/06112513542D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C19H20ClN3O5S

>  <MolWeight> (253)
437.8972

>  <Cat> (253)
S7680

>  <Name> (253)
SP2509

>  <Synonyms> (253)
HCI-2509

>  <Target> (253)
Apoptosis related,Autophagy,Histone Demethylase,LSD1

>  <Form> (253)
free base

>  <CAS> (253)
1423715-09-6

>  <URL> (253)
http://selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C25H23ClN2O3

>  <MolWeight> (254)
434.91472

>  <Cat> (254)
S7620

>  <Name> (254)
GSK1324726A (I-BET726)

>  <Synonyms> (254)
N/A

>  <Target> (254)
Epigenetic Reader Domain

>  <Form> (254)
free base

>  <CAS> (254)
1300031-52-0

>  <URL> (254)
http://selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
EI1.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C23H26N4O2

>  <MolWeight> (255)
390.47814

>  <Cat> (255)
S7611

>  <Name> (255)
EI1

>  <Synonyms> (255)
N/A

>  <Target> (255)
EZH1/2,Histone Methyltransferase

>  <Form> (255)
free base

>  <CAS> (255)
1418308-27-6

>  <URL> (255)
http://selleckchem.com/products/ei1.html

$$$$
BRD4770.cdx
csChFnd80/06112513542D

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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  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 17  1  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C25H23N3O3

>  <MolWeight> (256)
413.46842

>  <Cat> (256)
S7591

>  <Name> (256)
BRD4770

>  <Synonyms> (256)
N/A

>  <Target> (256)
G9a/GLP,Histone Methyltransferase

>  <Form> (256)
free base

>  <CAS> (256)
1374601-40-7

>  <URL> (256)
http://selleckchem.com/products/brd4770.html

$$$$
PX-478 2HCl.cdx
csChFnd80/06112513542D

 22 20  0  0  0  0  0  0  0  0999 V2000
   25.5043    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5043    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7168    2.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9292    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.7168    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2651    5.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1176    5.8315    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   26.6896    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.5275    1.6599    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    0.0000   25.9837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  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
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C13H20Cl4N2O3

>  <MolWeight> (257)
394.1215

>  <Cat> (257)
S7612

>  <Name> (257)
PX-478 2HCl

>  <Synonyms> (257)
N/A

>  <Target> (257)
Apoptosis related,HIF

>  <Form> (257)
dihydrochloride

>  <CAS> (257)
685898-44-6

>  <URL> (257)
http://selleckchem.com/products/px-478-2hcl.html

$$$$
Reversine.cdx
csChFnd80/06112513542D

 29 33  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    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    0.0000    0.0000 N   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
   10.9119    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
   12.2434    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 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 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
 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
 11 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 11  1  0  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C21H27N7O

>  <MolWeight> (258)
393.48538

>  <Cat> (258)
S7588

>  <Name> (258)
Reversine

>  <Synonyms> (258)
N/A

>  <Target> (258)
Adenosine Receptor,Aurora Kinase

>  <Form> (258)
free base

>  <CAS> (258)
656820-32-5

>  <URL> (258)
http://selleckchem.com/products/reversine.html

$$$$
CAY10603.cdx
csChFnd80/06112513542D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.5570    1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2549    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3668    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3045    3.4551    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 11 13  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 18 20  1  0  0  0  0
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 25 26  1  0  0  0  0
 20 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C22H30N4O6

>  <MolWeight> (259)
446.4968

>  <Cat> (259)
S7596

>  <Name> (259)
CAY10603

>  <Synonyms> (259)
BML-281

>  <Target> (259)
HDAC

>  <Form> (259)
free base

>  <CAS> (259)
1045792-66-2

>  <URL> (259)
http://selleckchem.com/products/cay10603.html

$$$$
LMK-235.cdx
csChFnd80/06112513542D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  3  8  1  0  0  0  0
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 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C15H22N2O4

>  <MolWeight> (260)
294.34618

>  <Cat> (260)
S7569

>  <Name> (260)
LMK-235

>  <Synonyms> (260)
N/A

>  <Target> (260)
HDAC

>  <Form> (260)
free base

>  <CAS> (260)
1418033-25-6

>  <URL> (260)
http://selleckchem.com/products/lmk-235.html

$$$$
MS436.cdx
csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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Epigenetic Reader Domain

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free base

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1395084-25-9

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http://selleckchem.com/products/ms436.html

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>  <Target> (262)
HDAC

>  <Form> (262)
free base

>  <CAS> (262)
1429651-50-2

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

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N/A

>  <Target> (263)
CMV,Histone Demethylase,JMJD

>  <Form> (263)
free base

>  <CAS> (263)
1222800-79-4

>  <URL> (263)
http://selleckchem.com/products/ml324.html

$$$$
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HDAC

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free base

>  <CAS> (264)
910462-43-0

>  <URL> (264)
http://selleckchem.com/products/4sc-202.html

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>  <URL> (265)
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$$$$
Salirasib.cdx
csChFnd80/06112513542D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    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
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   10.9119    4.2000    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    4.2000    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
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C22H30O2S

>  <MolWeight> (266)
358.5374

>  <Cat> (266)
S7684

>  <Name> (266)
Salirasib

>  <Synonyms> (266)
Farnesylthiosalicylic acid, FTS

>  <Target> (266)
Autophagy,PPMTase,Ras

>  <Form> (266)
free base

>  <CAS> (266)
162520-00-5

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

$$$$
LFM-A13.cdx
csChFnd80/06112513542D

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    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
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 12 14  1  0  0  0  0
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M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C11H8Br2N2O2

>  <MolWeight> (267)
360.00142

>  <Cat> (267)
S7734

>  <Name> (267)
LFM-A13

>  <Synonyms> (267)
N/A

>  <Target> (267)
BTK

>  <Form> (267)
free base

>  <CAS> (267)
244240-24-2

>  <URL> (267)
http://selleckchem.com/products/lfm-a13.html

$$$$
UNC0379.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0028    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4831    4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8525    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158    6.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 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 15  1  0  0  0  0
 22 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 22  1  0  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C23H35N5O2

>  <MolWeight> (268)
413.5563

>  <Cat> (268)
S7570

>  <Name> (268)
UNC0379

>  <Synonyms> (268)
N/A

>  <Target> (268)
Histone Methyltransferase,SETD

>  <Form> (268)
free base

>  <CAS> (268)
1620401-82-2

>  <URL> (268)
http://selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/06112513542D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9497    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C14H22Cl2N2

>  <MolWeight> (269)
289.24388

>  <Cat> (269)
S7574

>  <Name> (269)
GSK-LSD1 2HCl

>  <Synonyms> (269)
N/A

>  <Target> (269)
Histone Demethylase,LSD1

>  <Form> (269)
dihydrochloride

>  <CAS> (269)
2102933-95-7

>  <URL> (269)
http://selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
EPZ015666.cdx
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C20H25N5O3

>  <MolWeight> (270)
383.4442

>  <Cat> (270)
S7748

>  <Name> (270)
EPZ015666 (GSK3235025)

>  <Synonyms> (270)
GSK3235025

>  <Target> (270)
Histone Methyltransferase,PRMT

>  <Form> (270)
free base

>  <CAS> (270)
1616391-65-1

>  <URL> (270)
http://selleckchem.com/products/epz015666.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/06112513542D

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.4891   11.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9457   10.1618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455   10.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7539   11.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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free base

>  <CAS> (274)
1137359-47-7

>  <URL> (274)
http://selleckchem.com/products/brd7552.html

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PARP

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free base

>  <CAS> (275)
90417-38-2

>  <URL> (275)
http://selleckchem.com/products/nu1025.html

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>  <Target> (276)
Histone Demethylase,JMJD

>  <Form> (276)
free base

>  <CAS> (276)
1373422-53-7

>  <URL> (276)
http://selleckchem.com/products/gsk-j1.html

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HDAC

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free base

>  <CAS> (277)
926259-99-6

>  <URL> (277)
http://selleckchem.com/products/bg45.html

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AMPK

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free base

>  <CAS> (278)
1613724-42-7

>  <URL> (278)
http://selleckchem.com/products/hth-01-015.html

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E3330

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DNA/RNA Synthesis,NF-¦ÊB

>  <Form> (279)
free base

>  <CAS> (279)
136164-66-4

>  <URL> (279)
http://selleckchem.com/products/e3330.html

$$$$
KC7F2.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (280)
280

>  <Formula> (280)
C16H16Cl4N2O4S4

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570.38124

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S7946

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KC7F2

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N/A

>  <Target> (280)
HIF

>  <Form> (280)
free base

>  <CAS> (280)
927822-86-4

>  <URL> (280)
http://selleckchem.com/products/kc7f2.html

$$$$
PFI-4.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (281)
281

>  <Formula> (281)
C21H24N4O3

>  <MolWeight> (281)
380.44026

>  <Cat> (281)
S7906

>  <Name> (281)
PFI-4

>  <Synonyms> (281)
N/A

>  <Target> (281)
Epigenetic Reader Domain

>  <Form> (281)
free base

>  <CAS> (281)
900305-37-5

>  <URL> (281)
http://selleckchem.com/products/pfi-4.html

$$$$
ASP015K.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C18H22N4O2

>  <MolWeight> (282)
326.39288

>  <Cat> (282)
S7650

>  <Name> (282)
Peficitinib (ASP015K)

>  <Synonyms> (282)
JNJ-54781532

>  <Target> (282)
JAK

>  <Form> (282)
free base

>  <CAS> (282)
944118-01-8

>  <URL> (282)
http://selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
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>  <Mol_ID> (283)
283

>  <Formula> (283)
C26H20ClN3O5

>  <MolWeight> (283)
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>  <Cat> (283)
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>  <Name> (283)
GSK621

>  <Synonyms> (283)
N/A

>  <Target> (283)
AMPK

>  <Form> (283)
free base

>  <CAS> (283)
1346607-05-3

>  <URL> (283)
http://selleckchem.com/products/gsk621.html

$$$$
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>  <Mol_ID> (284)
284

>  <Formula> (284)
C15H24Cl2N2

>  <MolWeight> (284)
303.27046

>  <Cat> (284)
S7795

>  <Name> (284)
Iadademstat (ORY-1001) 2HCl

>  <Synonyms> (284)
RG-6016

>  <Target> (284)
Histone Demethylase,LSD1

>  <Form> (284)
dihydrochloride

>  <CAS> (284)
1431326-61-2

>  <URL> (284)
http://selleckchem.com/products/ory-1001-rg-6016.html

$$$$
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csChFnd80/06112513542D

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>  <Mol_ID> (285)
285

>  <Formula> (285)
C18H19F3N6O

>  <MolWeight> (285)
392.3782696

>  <Cat> (285)
S7541

>  <Name> (285)
Decernotinib (VX-509)

>  <Synonyms> (285)
N/A

>  <Target> (285)
JAK

>  <Form> (285)
free base

>  <CAS> (285)
944842-54-0

>  <URL> (285)
http://selleckchem.com/products/decernotinib-vx-509.html

$$$$
VX-11e (VTX-11e, Vertex-11e).cdx
csChFnd80/06112513542D

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>  <Mol_ID> (286)
286

>  <Formula> (286)
C24H20Cl2FN5O2

>  <MolWeight> (286)
500.3523032

>  <Cat> (286)
S7709

>  <Name> (286)
VX-11e

>  <Synonyms> (286)
VTX-11e, Vertex-11e

>  <Target> (286)
ERK

>  <Form> (286)
free base

>  <CAS> (286)
896720-20-0

>  <URL> (286)
http://selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (287)
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>  <Formula> (287)
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>  <MolWeight> (287)
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>  <Cat> (287)
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>  <Name> (287)
NVP-TNKS656

>  <Synonyms> (287)
N/A

>  <Target> (287)
PARP

>  <Form> (287)
free base

>  <CAS> (287)
1419949-20-4

>  <URL> (287)
http://selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C12H9ClN2O4

>  <MolWeight> (288)
280.66386

>  <Cat> (288)
S7979

>  <Name> (288)
FG-2216

>  <Synonyms> (288)
N/A

>  <Target> (288)
HIF

>  <Form> (288)
free base

>  <CAS> (288)
223387-75-5

>  <URL> (288)
http://selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (289)
289

>  <Formula> (289)
C16H18N4O2

>  <MolWeight> (289)
298.33972

>  <Cat> (289)
S7832

>  <Name> (289)
SGC707

>  <Synonyms> (289)
N/A

>  <Target> (289)
Histone Methyltransferase,PRMT

>  <Form> (289)
free base

>  <CAS> (289)
1687736-54-4

>  <URL> (289)
http://selleckchem.com/products/sgc707.html

$$$$
GSK2879552.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (290)
290

>  <Formula> (290)
C23H30Cl2N2O2

>  <MolWeight> (290)
437.4025

>  <Cat> (290)
S7796

>  <Name> (290)
GSK2879552 2HCl

>  <Synonyms> (290)
N/A

>  <Target> (290)
Histone Demethylase,LSD1

>  <Form> (290)
dihydrochloride

>  <CAS> (290)
1902123-72-1

>  <URL> (290)
http://selleckchem.com/products/gsk2879552-2hcl.html

$$$$
AZ6102.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (291)
291

>  <Formula> (291)
C25H28N6O

>  <MolWeight> (291)
428.52942

>  <Cat> (291)
S7767

>  <Name> (291)
AZ6102

>  <Synonyms> (291)
AZ-6102

>  <Target> (291)
PPAR

>  <Form> (291)
free base

>  <CAS> (291)
1645286-75-4

>  <URL> (291)
http://selleckchem.com/products/az6102.html

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/06112513542D

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>  <Mol_ID> (292)
292

>  <Formula> (292)
C22H22F3N3O3S2

>  <MolWeight> (292)
497.5535896

>  <Cat> (292)
S7835

>  <Name> (292)
I-BRD9

>  <Synonyms> (292)
GSK602

>  <Target> (292)
Epigenetic Reader Domain

>  <Form> (292)
free base

>  <CAS> (292)
1714146-59-4

>  <URL> (292)
http://selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
csChFnd80/06112513542D

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   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  3  5  1  0  0  0  0
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 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (293)
293

>  <Formula> (293)
C19H36O5

>  <MolWeight> (293)
344.48614

>  <Cat> (293)
S7953

>  <Name> (293)
ETC-1002

>  <Synonyms> (293)
Bempedoic acid, ESP-55016

>  <Target> (293)
AMPK,ATP-citrate lyase,LDL

>  <Form> (293)
free base

>  <CAS> (293)
738606-46-7

>  <URL> (293)
http://selleckchem.com/products/etc-1002.html

$$$$
MI-136.cdx
csChFnd80/06112513542D

 33 37  0  0  0  0  0  0  0  0999 V2000
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    3.7564   12.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3533    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    3.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4432    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  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 16  1  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (294)
294

>  <Formula> (294)
C23H21F3N6S

>  <MolWeight> (294)
470.5132496

>  <Cat> (294)
S7815

>  <Name> (294)
MI-136

>  <Synonyms> (294)
N/A

>  <Target> (294)
Histone Methyltransferase,MLL

>  <Form> (294)
free base

>  <CAS> (294)
1628316-74-4

>  <URL> (294)
http://selleckchem.com/products/mi-136.html

$$$$
A-366.cdx
csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    9.4904    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 C   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
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    1.9508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8572    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2817    4.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6461    6.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3987    5.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572    3.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  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 13  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  5  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 20  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (295)
295

>  <Formula> (295)
C19H27N3O2

>  <MolWeight> (295)
329.43658

>  <Cat> (295)
S7572

>  <Name> (295)
A-366

>  <Synonyms> (295)
N/A

>  <Target> (295)
G9a/GLP,Histone Methyltransferase

>  <Form> (295)
free base

>  <CAS> (295)
1527503-11-2

>  <URL> (295)
http://selleckchem.com/products/a-366.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/06112513542D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.1703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7801    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9883    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1965    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  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
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C26H28N4O4S

>  <MolWeight> (296)
492.58992

>  <Cat> (296)
S7625

>  <Name> (296)
Niraparib (MK-4827) tosylate

>  <Synonyms> (296)
Niraparib tosylate, MK 4827 tosylate, ZEJULA

>  <Target> (296)
Apoptosis related,PARP

>  <Form> (296)
4-?methylbenzen

>  <CAS> (296)
1038915-73-9

>  <URL> (296)
http://selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
LY333531.cdx
csChFnd80/06112513542D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.1134    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5892    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3332    9.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6161    6.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4330    5.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    5.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    4.7709    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C28H29ClN4O3

>  <MolWeight> (297)
505.00786

>  <Cat> (297)
S7663

>  <Name> (297)
Ruboxistaurin (LY333531) HCl

>  <Synonyms> (297)
Ruboxistaurin hydrochloride,  LY333531 hydrochloride

>  <Target> (297)
PKC

>  <Form> (297)
hydrochloride

>  <CAS> (297)
169939-93-9

>  <URL> (297)
http://selleckchem.com/products/ly333531.html

$$$$
BMS-911543.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C23H28N8O

>  <MolWeight> (298)
432.52142

>  <Cat> (298)
S7144

>  <Name> (298)
BMS-911543

>  <Target> (298)
JAK

>  <Form> (298)
free base

>  <CAS> (298)
1271022-90-2

>  <URL> (298)
http://selleckchem.com/products/bms-911543.html

$$$$
LLY507.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (299)
299

>  <Formula> (299)
C36H42N6O

>  <MolWeight> (299)
574.75828

>  <Cat> (299)
S7575

>  <Name> (299)
LLY-507

>  <Synonyms> (299)
N/A

>  <Target> (299)
Histone Methyltransferase,SMYD

>  <Form> (299)
free base

>  <CAS> (299)
1793053-37-8

>  <URL> (299)
http://selleckchem.com/products/lly-507.html

$$$$
S4709 Latanoprost.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (300)
300

>  <Formula> (300)
C26H40O5

>  <MolWeight> (300)
432.5928

>  <Cat> (300)
S4709

>  <Name> (300)
Latanoprost

>  <Synonyms> (300)
Xalatan, PhXA41, PHXA-41

>  <Target> (300)
GPR,Immunology & Inflammation related,RAR/RXR

>  <Form> (300)
Free Base

>  <CAS> (300)
130209-82-4

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

$$$$
OICR-9429.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (301)
301

>  <Formula> (301)
C29H32F3N5O3

>  <MolWeight> (301)
555.5912896

>  <Cat> (301)
S7833

>  <Name> (301)
OICR-9429

>  <Synonyms> (301)
N/A

>  <Target> (301)
Histone Methyltransferase,WDR5

>  <Form> (301)
free base

>  <CAS> (301)
1801787-56-3

>  <URL> (301)
http://selleckchem.com/products/oicr-9429.html

$$$$
EPZ020411.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
C25H40Cl2N4O3

>  <MolWeight> (302)
515.5161

>  <Cat> (302)
S7820

>  <Name> (302)
EPZ020411 2HCl

>  <Synonyms> (302)
N/A

>  <Target> (302)
Histone Methyltransferase,PRMT

>  <Form> (302)
dihydrochloride

>  <CAS> (302)
2070015-25-5

>  <URL> (302)
http://selleckchem.com/products/epz020411.html

$$$$
MI-463.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (303)
303

>  <Formula> (303)
C24H23F3N6S

>  <MolWeight> (303)
484.5398296

>  <Cat> (303)
S7816

>  <Name> (303)
MI-463

>  <Synonyms> (303)
N/A

>  <Target> (303)
Histone Methyltransferase,MLL

>  <Form> (303)
free base

>  <CAS> (303)
1628317-18-9

>  <URL> (303)
http://selleckchem.com/products/mi-463.html

$$$$
YC-1.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C19H16N2O2

>  <MolWeight> (304)
304.34254

>  <Cat> (304)
S7958

>  <Name> (304)
Lificiguat (YC-1)

>  <Synonyms> (304)
N/A

>  <Target> (304)
Guanylate Cyclase,HIF

>  <Form> (304)
free base

>  <CAS> (304)
170632-47-0

>  <URL> (304)
http://selleckchem.com/products/lificiguat-yc-1.html

$$$$
CFI-400945.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C33H34N4O3

>  <MolWeight> (305)
534.64806

>  <Cat> (305)
S7552

>  <Name> (305)
CFI-400945

>  <Synonyms> (305)
N/A

>  <Target> (305)
PLK

>  <Form> (305)
free base

>  <CAS> (305)
1338806-73-7

>  <URL> (305)
http://selleckchem.com/products/cfi-400945.html

$$$$
A-196.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (306)
306

>  <Formula> (306)
C18H16Cl2N4

>  <MolWeight> (306)
359.25244

>  <Cat> (306)
S7983

>  <Name> (306)
A-196

>  <Synonyms> (306)
N/A

>  <Target> (306)
Histone Methyltransferase,SETD

>  <Form> (306)
free base

>  <CAS> (306)
1982372-88-2

>  <URL> (306)
http://selleckchem.com/products/a-196.html

$$$$
UNC0642.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (307)
307

>  <Formula> (307)
C29H44F2N6O2

>  <MolWeight> (307)
546.6954664

>  <Cat> (307)
S7230

>  <Name> (307)
UNC0642

>  <Synonyms> (307)
N/A

>  <Target> (307)
G9a/GLP,Histone Methyltransferase

>  <Form> (307)
free base

>  <CAS> (307)
1481677-78-4

>  <URL> (307)
http://selleckchem.com/products/unc0642.html

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/06112513542D

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 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (308)
308

>  <Formula> (308)
C15H17FN4O3R

>  <MolWeight> (308)
320.3188832

>  <Cat> (308)
S5209

>  <Name> (308)
Enoxacin Sesquihydrate

>  <Synonyms> (308)
Enoxacin hydrate

>  <Target> (308)
Bacterial

>  <Form> (308)
sesquihydrate

>  <CAS> (308)
84294-96-2

>  <URL> (308)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/06112513542D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    0.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    6.3488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8989    8.3944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0263    9.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    9.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2834    8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1559    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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  1  2  2  0  0  0  0
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  8  9  2  0  0  0  0
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  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> (309)
309

>  <Formula> (309)
C26H23F4N9O

>  <MolWeight> (309)
553.5141328

>  <Cat> (309)
S7812

>  <Name> (309)
Itacitinib (INCB39110)

>  <Synonyms> (309)
N/A

>  <Target> (309)
JAK

>  <Form> (309)
free base

>  <CAS> (309)
1334298-90-6

>  <URL> (309)
http://selleckchem.com/products/itacitinib-incb39110.html

$$$$
S5269 J147.cdx
csChFnd80/06112513542D

 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
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    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
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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> (310)
310

>  <Formula> (310)
C18H17F3N2O2

>  <MolWeight> (310)
350.3349896

>  <Cat> (310)
S5269

>  <Name> (310)
J147

>  <Synonyms> (310)
N/A

>  <Target> (310)
MAO

>  <Form> (310)
free base

>  <CAS> (310)
1146963-51-0

>  <URL> (310)
http://selleckchem.com/products/j147.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/06112513542D

 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
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  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C10H16N5O8P

>  <MolWeight> (311)
365.236501

>  <Cat> (311)
S5284

>  <Name> (311)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (311)
5'-Adenylic acid, 5'-AMP

>  <Target> (311)
AMPK

>  <Form> (311)
hydrate

>  <CAS> (311)
18422-05-4

>  <URL> (311)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/06112513542D

 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
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    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
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    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> (312)
312

>  <Formula> (312)
C17H21N6O4P

>  <MolWeight> (312)
404.360201

>  <Cat> (312)
S5243

>  <Name> (312)
Ruxolitinib Phosphate

>  <Synonyms> (312)
INCB018424, INC424

>  <Target> (312)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (312)
phosphate

>  <CAS> (312)
1092939-17-7

>  <URL> (312)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5262 UNC-926.cdx
csChFnd80/06112513542D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1067    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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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
    8.4869    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    5.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  2  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C16H21BrN2O

>  <MolWeight> (313)
337.25474

>  <Cat> (313)
S5262

>  <Name> (313)
UNC-926

>  <Synonyms> (313)
N/A

>  <Target> (313)
Epigenetic Reader Domain

>  <Form> (313)
free base

>  <CAS> (313)
1184136-10-4

>  <URL> (313)
http://selleckchem.com/products/unc-926.html

$$$$
S5449 3-Methoxybenzamide.cdx
csChFnd80/06112513542D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2184    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (314)
314

>  <Formula> (314)
C8H9NO2

>  <MolWeight> (314)
151.16256

>  <Cat> (314)
S5449

>  <Name> (314)
3-Methoxybenzamide

>  <Synonyms> (314)
3-MBA

>  <Target> (314)
Transferase

>  <Form> (314)
free base

>  <CAS> (314)
5813-86-5

>  <URL> (314)
http://selleckchem.com/products/3-methoxybenzamide.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/06112513542D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (315)
315

>  <Formula> (315)
C12H9ClO2S

>  <MolWeight> (315)
252.71666

>  <Cat> (315)
S5438

>  <Name> (315)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (315)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (315)
HDAC

>  <Form> (315)
free base

>  <CAS> (315)
1623-93-4

>  <URL> (315)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
   10.9119    4.9000    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
    9.6995    7.0000    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   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
    2.4249    0.0000    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
   13.1300    2.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5300    2.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    3.9311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300    2.5311    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  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  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
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 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
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 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (316)
316

>  <Formula> (316)
C20H19NO8S

>  <MolWeight> (316)
433.43176

>  <Cat> (316)
S5440

>  <Name> (316)
Berberine Sulfate

>  <Synonyms> (316)
Umbellatine Sulfate

>  <Target> (316)
Bacterial

>  <Form> (316)
sulfate

>  <CAS> (316)
633-66-9

>  <URL> (316)
http://selleckchem.com/products/berberine-sulfate.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/06112513542D

 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
    7.2781    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    3.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3353    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    4.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7604    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4850    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8850    2.4286    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 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
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (317)
317

>  <Formula> (317)
C21H16N2O9S2

>  <MolWeight> (317)
504.48974

>  <Cat> (317)
S5445

>  <Name> (317)
AMI-1 (free acid)

>  <Synonyms> (317)
N/A

>  <Target> (317)
Histone Methyltransferase,PRMT

>  <Form> (317)
free base

>  <CAS> (317)
134-47-4

>  <URL> (317)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/06112513542D

 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
    1.2124    4.2000    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
    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
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    7.2746    6.3000    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
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    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (318)
318

>  <Formula> (318)
C22H26O11

>  <MolWeight> (318)
466.43524

>  <Cat> (318)
S5457

>  <Name> (318)
Curculigoside

>  <Synonyms> (318)
Curculigoside A

>  <Target> (318)
Immunology & Inflammation related

>  <Form> (318)
free base

>  <CAS> (318)
85643-19-2

>  <URL> (318)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C29H36O15

>  <MolWeight> (319)
624.58714

>  <Cat> (319)
S5458

>  <Name> (319)
Verbascoside

>  <Synonyms> (319)
Acteoside, Kusaginin

>  <Target> (319)
Immunology & Inflammation related

>  <Form> (319)
free base

>  <CAS> (319)
61276-17-3

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

$$$$
S5554 Lanatoside C.cdx
csChFnd80/06112513542D

 72 80  0  0  0  0  0  0  0  0999 V2000
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 65 68  1  6  0  0  0
 66 69  1  0  0  0  0
M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C49H76O20

>  <MolWeight> (320)
985.11574

>  <Cat> (320)
S5554

>  <Name> (320)
Lanatoside C

>  <Synonyms> (320)
N/A

>  <Target> (320)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (320)
free base

>  <CAS> (320)
17575-22-3

>  <URL> (320)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5582 Cytarabine hydrochloride.cdx
csChFnd80/06112513542D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.6898    3.6556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1151    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3718    0.6320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2025    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0524    1.2572    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  9 15  1  0  0  0  0
  9  1  1  1  0  0  0
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C9H14ClN3O5

>  <MolWeight> (321)
279.67756

>  <Cat> (321)
S5582

>  <Name> (321)
Cytarabine hydrochloride

>  <Synonyms> (321)
N/A

>  <Target> (321)
DNA/RNA Synthesis

>  <Form> (321)
hydrochloride

>  <CAS> (321)
69-74-9

>  <URL> (321)
http://selleckchem.com/products/cytarabine-hydrochloride.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/06112513542D

 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
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   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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  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
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 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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 15 21  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> (322)
322

>  <Formula> (322)
C20H18O6

>  <MolWeight> (322)
354.35332

>  <Cat> (322)
S3934

>  <Name> (322)
Acetyl Resveratrol

>  <Synonyms> (322)
N/A

>  <Target> (322)
Others

>  <Form> (322)
free base

>  <CAS> (322)
42206-94-0

>  <URL> (322)
https://www.selleckchem.com/products/acetyl-resveratrol.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/06112513542D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    0.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 37  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
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 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C28H23ClF3N7O

>  <MolWeight> (323)
565.9767296

>  <Cat> (323)
S5205

>  <Name> (323)
Nilotinib hydrochloride

>  <Synonyms> (323)
AMN-107 HCl

>  <Target> (323)
Bcr-Abl

>  <Form> (323)
hydrochloride

>  <CAS> (323)
923288-95-3

>  <URL> (323)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/06112513542D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    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
    4.8497    7.0000    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  2  1  0  0  0  0
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 16  3  1  0  0  0  0
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M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C20H24Cl3N3O

>  <MolWeight> (324)
428.78306

>  <Cat> (324)
S5500

>  <Name> (324)
Amodiaquine hydrochloride

>  <Synonyms> (324)
N/A

>  <Target> (324)
Immunology & Inflammation related

>  <Form> (324)
dihydrochloride

>  <CAS> (324)
69-44-3

>  <URL> (324)
https://www.selleckchem.com/products/amodiaquine-hydrochloride.html

$$$$

csChFnd80/06112513542D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    2.4249    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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  2  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
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C16H14O2

>  <MolWeight> (325)
238.28116

>  <Cat> (325)
S5851

>  <Name> (325)
4'-Methoxychalcone

>  <Synonyms> (325)
N/A

>  <Target> (325)
PPAR,TNF-alpha

>  <Form> (325)
Free Base

>  <CAS> (325)
959-23-9

>  <URL> (325)
http://www.selleckchem.com/products/4-methoxychalcone.html

$$$$

csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (326)
326

>  <Formula> (326)
C16H15N3O3

>  <MolWeight> (326)
297.3086

>  <Cat> (326)
S5903

>  <Name> (326)
JANEX-1

>  <Synonyms> (326)
WHI-P131

>  <Target> (326)
JAK

>  <Form> (326)
Free Base

>  <CAS> (326)
202475-60-3

>  <URL> (326)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.7234    6.2984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5104    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    4.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    4.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    4.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848    2.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    2.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    0.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8264    0.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0456    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9368    4.1992    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (327)
327

>  <Formula> (327)
C16H13Br2N3O3

>  <MolWeight> (327)
455.10072

>  <Cat> (327)
S5904

>  <Name> (327)
WHI-P97

>  <Synonyms> (327)
N/A

>  <Target> (327)
JAK

>  <Form> (327)
Free Base

>  <CAS> (327)
211555-05-4

>  <URL> (327)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/06112513542D

 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> (328)
328

>  <Formula> (328)
C8H16N2O4

>  <MolWeight> (328)
204.22364

>  <Cat> (328)
S5905

>  <Name> (328)
Suberohydroxamic acid

>  <Synonyms> (328)
suberic bishydroxamic acid

>  <Target> (328)
HDAC

>  <Form> (328)
Free Base

>  <CAS> (328)
38937-66-5

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

$$$$

csChFnd80/06112513542D

 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> (329)
329

>  <Formula> (329)
C7H5NO4

>  <MolWeight> (329)
167.1189

>  <Cat> (329)
S5906

>  <Name> (329)
2,4-Pyridinedicarboxylic acid

>  <Synonyms> (329)
Lutidinic Acid, 2,4-Dicarboxypyridine, 2,4-PDCA

>  <Target> (329)
Others

>  <Form> (329)
Free Base

>  <CAS> (329)
499-80-9

>  <URL> (329)
http://www.selleckchem.com/products/pyridinedicarboxylic-acid.html

$$$$

csChFnd80/06112513542D

 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> (330)
330

>  <Formula> (330)
C10H15N3O4

>  <MolWeight> (330)
241.2438

>  <Cat> (330)
S5907

>  <Name> (330)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (330)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (330)
Others

>  <Form> (330)
Free Base

>  <CAS> (330)
838-07-3

>  <URL> (330)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$

csChFnd80/06112513542D

 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
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  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
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 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
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  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
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 16 14  1  0  0  0  0
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 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C21H16N2O2S

>  <MolWeight> (331)
360.42894

>  <Cat> (331)
S5913

>  <Name> (331)
Cambinol

>  <Synonyms> (331)
N/A

>  <Target> (331)
Phospholipase (e.g. PLA)

>  <Form> (331)
Free Base

>  <CAS> (331)
14513-15-6

>  <URL> (331)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/06112513542D

 26 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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  1  8  2  0  0  0  0
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 10 11  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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 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
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 23 24  1  0  0  0  0
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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C19H21BrN2O3S

>  <MolWeight> (332)
437.35064

>  <Cat> (332)
S5914

>  <Name> (332)
AK 7

>  <Synonyms> (332)
N/A

>  <Target> (332)
Sirtuin

>  <Form> (332)
Free Base

>  <CAS> (332)
420831-40-9

>  <URL> (332)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/06112513542D

 29 32  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  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
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 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 19 21  1  0  0  0  0
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 16 29  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C22H26N4O3

>  <MolWeight> (333)
394.46684

>  <Cat> (333)
S5916

>  <Name> (333)
GSK 5959

>  <Synonyms> (333)
N/A

>  <Target> (333)
Epigenetic Reader Domain

>  <Form> (333)
Free Base

>  <CAS> (333)
901245-65-6

>  <URL> (333)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/06112513542D

 29 33  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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 16 21  2  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C22H23N5O2

>  <MolWeight> (334)
389.45032

>  <Cat> (334)
S5917

>  <Name> (334)
Solcitinib

>  <Synonyms> (334)
GLPG0778, GSK2586184

>  <Target> (334)
JAK

>  <Form> (334)
Free Base

>  <CAS> (334)
1206163-45-2

>  <URL> (334)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/06112513542D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C22H15FN4O2S

>  <MolWeight> (335)
418.4435032

>  <Cat> (335)
S5918

>  <Name> (335)
CAY10602

>  <Synonyms> (335)
N/A

>  <Target> (335)
Sirtuin

>  <Form> (335)
Free Base

>  <CAS> (335)
374922-43-7

>  <URL> (335)
http://www.selleckchem.com/products/cay10602.html

$$$$
S5703 Carvedilol Phosphate.cdx
csChFnd80/06112513542D

 36 37  0  0  0  0  0  0  0  0999 V2000
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
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A   36
?0.5H2O?
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C24H29N2O8PR

>  <MolWeight> (336)
504.469421

>  <Cat> (336)
S5703

>  <Name> (336)
Carvedilol Phosphate

>  <Target> (336)
Adrenergic Receptor

>  <Form> (336)
Phosphate

>  <CAS> (336)
610309-89-2

>  <URL> (336)
https://www.selleckchem.com/products/carvedilol-phosphate.html

$$$$

csChFnd80/06112513542D

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   13.3368   10.6509    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  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
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 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C26H52N6O11S

>  <MolWeight> (337)
656.78968

>  <Cat> (337)
S5742

>  <Name> (337)
Deferoxamine mesylate (Ba 33112)

>  <Synonyms> (337)
Desferrioxamine B, DFOM, NSC 644468

>  <Target> (337)
Autophagy,Beta Amyloid,Ferroptosis,HIF

>  <Form> (337)
mesylate

>  <CAS> (337)
138-14-7

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

$$$$

csChFnd80/06112513542D

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  8 12  1  0  0  0  0
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 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
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 27 30  1  0  0  0  0
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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C16H20N7O6PS

>  <MolWeight> (338)
469.412061

>  <Cat> (338)
S5754

>  <Name> (338)
Baricitinib phosphate

>  <Synonyms> (338)
INCB-028050 phosphate, LY-3009104 phosphate

>  <Target> (338)
COVID-19,JAK

>  <Form> (338)
phosphate

>  <CAS> (338)
1187595-84-1

>  <URL> (338)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/06112513542D

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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C6H11NOS2

>  <MolWeight> (339)
177.28764

>  <Cat> (339)
S5771

>  <Name> (339)
Sulforaphane

>  <Synonyms> (339)
N/A

>  <Target> (339)
HDAC,Heme Oxygenase,NF-¦ÊB,Nrf2,ROS

>  <Form> (339)
Free Base

>  <CAS> (339)
4478-93-7

>  <URL> (339)
http://www.selleckchem.com/products/sulforaphane.html

$$$$

csChFnd80/06112513542D

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    6.0621    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (340)
340

>  <Formula> (340)
C17H13N3O2

>  <MolWeight> (340)
291.30402

>  <Cat> (340)
S5772

>  <Name> (340)
AS-8351

>  <Synonyms> (340)
N/A

>  <Target> (340)
Histone Demethylase

>  <Form> (340)
Free Base

>  <CAS> (340)
796-42-9

>  <URL> (340)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/06112513542D

 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> (341)
341

>  <Formula> (341)
C5H10N2O2S

>  <MolWeight> (341)
162.2101

>  <Cat> (341)
S5804

>  <Name> (341)
N-Acetylcysteine amide

>  <Synonyms> (341)
N/A

>  <Target> (341)
HIF,Immunology & Inflammation related,NF-¦ÊB,ROS

>  <Form> (341)
Free Base

>  <CAS> (341)
38520-57-9

>  <URL> (341)
http://www.selleckchem.com/products/n-acetylcysteine-amide.html

$$$$

csChFnd80/06112513542D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8976    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    2.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6489    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    4.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0977    2.0366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    2.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    0.0000    0.0421    0.0000 Br  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
 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> (342)
342

>  <Formula> (342)
C11H15BrN2O

>  <MolWeight> (342)
271.1536

>  <Cat> (342)
S5810

>  <Name> (342)
UF010

>  <Synonyms> (342)
N/A

>  <Target> (342)
HDAC

>  <Form> (342)
Free Base

>  <CAS> (342)
537672-41-6

>  <URL> (342)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/06112513542D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    7.2746    2.1000    0.0000 O   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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  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
  7  9  1  0  0  0  0
  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> (343)
343

>  <Formula> (343)
C10H10O2

>  <MolWeight> (343)
162.1852

>  <Cat> (343)
S6221

>  <Name> (343)
Methyl cinnamate

>  <Synonyms> (343)
N/A

>  <Target> (343)
AMPK,CaMK,Tyrosinase

>  <Form> (343)
free base

>  <CAS> (343)
103-26-4

>  <URL> (343)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2662    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    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
   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
    9.6911    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    4.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0579    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (344)
344

>  <Formula> (344)
C21H19ClNO4+

>  <MolWeight> (344)
384.83286

>  <Cat> (344)
S1292

>  <Name> (344)
Chelerythrine Chloride (NSC 646662)

>  <Synonyms> (344)
Broussonpapyrine chloride

>  <Target> (344)
PKC

>  <Form> (344)
Chloride

>  <CAS> (344)
3895-92-9

>  <URL> (344)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8860    2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    3.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    1.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    4.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0665    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    2.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6791    0.0213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2958    2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0792    0.0342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4436    3.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    5.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2429    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    4.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    4.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    2.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7130    3.5253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    5.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  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  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C15H8O6

>  <MolWeight> (345)
284.22042

>  <Cat> (345)
S2400

>  <Name> (345)
Rheic Acid

>  <Synonyms> (345)
Rhein, Monorhein, NSC 38629, Rheinic Acid

>  <Target> (345)
FTO,Immunology & Inflammation related

>  <Form> (345)
Free Base

>  <CAS> (345)
478-43-3

>  <URL> (345)
http://www.selleck.cn/products/Rhein-Monorhein.html

$$$$

csChFnd80/06112513542D

 31 35  0  0  0  0  0  0  0  0999 V2000
    3.4240    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.3234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3141    5.3602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7447    6.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3524    6.4928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4423    7.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    7.5296    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0542    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8499    8.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2194    9.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6520   10.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7152   11.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3458   11.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9132    9.8969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    6.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 10  1  0  0  0  0
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 22 17  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  2  0  0  0  0
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 29 25  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (346)
346

>  <Formula> (346)
C23H21N5O3

>  <MolWeight> (346)
415.44454

>  <Cat> (346)
S2780

>  <Name> (346)
I-BET151 (GSK1210151A)

>  <Synonyms> (346)
N/A

>  <Target> (346)
Epigenetic Reader Domain

>  <Form> (346)
Free Base

>  <CAS> (346)
1300031-49-5

>  <URL> (346)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/06112513542D

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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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M  END
>  <Mol_ID> (347)
347

>  <Formula> (347)
C20H22ClN3O

>  <MolWeight> (347)
355.86118

>  <Cat> (347)
S5948

>  <Name> (347)
Amodiaquine

>  <Synonyms> (347)
N/A

>  <Target> (347)
DNA/RNA Synthesis,Parasite

>  <Form> (347)
Free Base

>  <CAS> (347)
86-42-0

>  <URL> (347)
http://www.selleck.cn/products/amodiaquine.html

$$$$

csChFnd80/06112513542D

 13 12  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C6H13NO5

>  <MolWeight> (348)
179.17112

>  <Cat> (348)
S6400

>  <Name> (348)
Glucosamine

>  <Synonyms> (348)
2-amino-2-deoxy-D-glucose

>  <Target> (348)
HIF

>  <Form> (348)
Free Base

>  <CAS> (348)
3416-24-8

>  <URL> (348)
http://www.selleck.cn/products/glucosamine.html

$$$$

csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  9  2  2  0  0  0  0
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  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  2  0  0  0  0
 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
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 13  8  2  0  0  0  0
 17 10  1  0  0  0  0
 19 11  2  0  0  0  0
 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
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M  END
>  <Mol_ID> (349)
349

>  <Formula> (349)
C23H19NO3

>  <MolWeight> (349)
357.40186

>  <Cat> (349)
S6424

>  <Name> (349)
TAS-301

>  <Synonyms> (349)
N/A

>  <Target> (349)
PKC

>  <Form> (349)
Free Base

>  <CAS> (349)
193620-69-8

>  <URL> (349)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/06112513542D

 22 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
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 15 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (350)
350

>  <Formula> (350)
C20H30O2

>  <MolWeight> (350)
302.451

>  <Cat> (350)
S6476

>  <Name> (350)
Eicosapentaenoic Acid

>  <Target> (350)
Immunology & Inflammation related

>  <Form> (350)
Free Base

>  <CAS> (350)
10417-94-4

>  <URL> (350)
http://www.selleck.cn/products/eicosapentaenoic-acid.html

$$$$

csChFnd80/06112513542D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C23H18N6O2

>  <MolWeight> (351)
410.42802

>  <Cat> (351)
S7137

>  <Name> (351)
GLPG0634 analogue

>  <Synonyms> (351)
N/A

>  <Target> (351)
JAK

>  <Form> (351)
Free Base

>  <CAS> (351)
1206101-20-3

>  <URL> (351)
http://www.selleck.cn/products/glpg0634.html

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csChFnd80/06112513542D

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>  <Mol_ID> (352)
352

>  <Formula> (352)
C14H14ClFN8

>  <MolWeight> (352)
348.7659632

>  <Cat> (352)
S2162

>  <Name> (352)
AZD1480

>  <Synonyms> (352)
N/A

>  <Target> (352)
JAK

>  <Form> (352)
free base

>  <CAS> (352)
935666-88-9

>  <URL> (352)
http://www.selleck.cn/products/AZD1480.html

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csChFnd80/06112513542D

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M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C13H13NO3S

>  <MolWeight> (353)
263.31222

>  <Cat> (353)
S6497

>  <Name> (353)
SMI-16a

>  <Synonyms> (353)
N/A

>  <Target> (353)
Pim

>  <Form> (353)
free base

>  <CAS> (353)
587852-28-6

>  <URL> (353)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C16H15N3O2

>  <MolWeight> (354)
281.3092

>  <Cat> (354)
S6521

>  <Name> (354)
WHI-P258

>  <Synonyms> (354)
N/A

>  <Target> (354)
JAK

>  <Form> (354)
free base

>  <CAS> (354)
21561-09-1

>  <URL> (354)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
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  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C23H24N2O

>  <MolWeight> (355)
344.44946

>  <Cat> (355)
S6524

>  <Name> (355)
NSC 42834

>  <Synonyms> (355)
JAK2 Inhibitor V, Z3

>  <Target> (355)
JAK

>  <Form> (355)
free base

>  <CAS> (355)
195371-52-9

>  <URL> (355)
http://www.selleck.cn/products/nsc-42834.html

$$$$

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M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C20H25F3N6O3

>  <MolWeight> (356)
454.4461096

>  <Cat> (356)
S6577

>  <Name> (356)
PKC-theta inhibitor

>  <Synonyms> (356)
N/A

>  <Target> (356)
PKC

>  <Form> (356)
free base

>  <CAS> (356)
736048-65-0

>  <URL> (356)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C18H18N2O4

>  <MolWeight> (357)
326.34652

>  <Cat> (357)
S8043

>  <Name> (357)
Scriptaid

>  <Synonyms> (357)
GCK 1026

>  <Target> (357)
HDAC

>  <Form> (357)
free base

>  <CAS> (357)
287383-59-9

>  <URL> (357)
http://selleckchem.com/products/scriptaid.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (358)
358

>  <Formula> (358)
C11H6F3NO2S

>  <MolWeight> (358)
273.2310496

>  <Cat> (358)
S8005

>  <Name> (358)
SMI-4a

>  <Synonyms> (358)
TCS PIM-1 4a

>  <Target> (358)
Pim

>  <Form> (358)
free base

>  <CAS> (358)
438190-29-5

>  <URL> (358)
http://selleckchem.com/products/smi-4a.html

$$$$
UPF-1069.cdx
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (359)
359

>  <Formula> (359)
C17H13NO3

>  <MolWeight> (359)
279.29002

>  <Cat> (359)
S8038

>  <Name> (359)
UPF 1069

>  <Synonyms> (359)
N/A

>  <Target> (359)
PARP

>  <Form> (359)
free base

>  <CAS> (359)
1048371-03-4

>  <URL> (359)
http://selleckchem.com/products/upf-1069.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (360)
360

>  <Formula> (360)
C9H12ClF2N3O4

>  <MolWeight> (360)
299.6590864

>  <Cat> (360)
S1149

>  <Name> (360)
Gemcitabine (LY-188011) HCl

>  <Synonyms> (360)
NSC 613327,LY-188011 HCl

>  <Target> (360)
Autophagy,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (360)
Hydrochloride

>  <CAS> (360)
122111-03-9

>  <URL> (360)
http://selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/06112513542D

 33 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C23H43N3O5

>  <MolWeight> (361)
441.60462

>  <Cat> (361)
S1506

>  <Name> (361)
Perindopril Erbumine

>  <Synonyms> (361)
S9490-3

>  <Target> (361)
RAAS

>  <Form> (361)
t-Butylamine

>  <CAS> (361)
107133-36-8

>  <URL> (361)
http://selleckchem.com/products/Perindopril-Erbumine(Aceon).html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/06112513542D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    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
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    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  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  2  1  1  0  0  0
 11 14  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C9H13N3O5

>  <MolWeight> (362)
243.21662

>  <Cat> (362)
S1648

>  <Name> (362)
Cytarabine (U-19920A)

>  <Synonyms> (362)
Cytarabin,Ara-C,Arabinofuranosyl Cytidine,Cytosine ¦Â-D-arabinofuranoside,Cytosine arabinoside,NSC 63878,NSC 287459,U-19920A

>  <Target> (362)
Apoptosis related,Autophagy,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (362)
free base

>  <CAS> (362)
147-94-4

>  <URL> (362)
http://selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
Tranexamic acid.cdx
csChFnd80/06112513542D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C8H15NO2

>  <MolWeight> (363)
157.2102

>  <Cat> (363)
S1875

>  <Name> (363)
Tranexamic Acid

>  <Synonyms> (363)
Transamin

>  <Target> (363)
Others

>  <Form> (363)
free base

>  <CAS> (363)
1197-18-8

>  <URL> (363)
http://selleckchem.com/products/tranexamic-acid-transamin.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/06112513542D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1798    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8144    6.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7512    7.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3186    8.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9492    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8227   10.8756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297    1.9087    0.0000 Cl  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  1  2  0  0  0  0
  2  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  3  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  1  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  4 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
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C21H25ClN2O2

>  <MolWeight> (364)
372.8884

>  <Cat> (364)
S8483

>  <Name> (364)
CBL0137 HCl

>  <Synonyms> (364)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (364)
NF-¦ÊB,p53

>  <Form> (364)
HCl

>  <CAS> (364)
1197397-89-9

>  <URL> (364)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
WT161.cdx
csChFnd80/06112513542D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 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
    4.8497    4.9000    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
    4.8497    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    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 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    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   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
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  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
  8 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  8  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  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
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C27H30N4O3

>  <MolWeight> (365)
458.5521

>  <Cat> (365)
S8495

>  <Name> (365)
WT161

>  <Synonyms> (365)
N/A

>  <Target> (365)
Apoptosis related,HDAC

>  <Form> (365)
free base

>  <CAS> (365)
1206731-57-8

>  <URL> (365)
http://selleckchem.com/products/wt161.html

$$$$
192441-08-0.cdx
csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.6337    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    2.1080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    2.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4223    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2051    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0596    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9825    1.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9617    4.7564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2172    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6906    2.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    4.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2141    0.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4254    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965    1.2589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
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  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  5  4  1  0  0  0  0
 15  5  1  0  0  0  0
 16  6  1  0  0  0  0
 10  7  2  0  0  0  0
  8 10  1  0  0  0  0
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 13  9  1  0  0  0  0
 11 12  1  0  0  0  0
 14 11  1  0  0  0  0
 12 17  1  0  0  0  0
 18 13  1  0  0  0  0
 14 13  2  0  0  0  0
 17 15  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C10H8BrN5OS

>  <MolWeight> (366)
326.17242

>  <Cat> (366)
S8056

>  <Name> (366)
Lomeguatrib

>  <Synonyms> (366)
PaTrin-2

>  <Target> (366)
DNA alkylator

>  <Form> (366)
free base

>  <CAS> (366)
192441-08-0

>  <URL> (366)
http://selleckchem.com/products/lomeguatrib.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/06112513542D

 35 39  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 N   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 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
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6233    0.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3865    2.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 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
  4 27  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
M  END
>  <Mol_ID> (367)
367

>  <Formula> (367)
C28H32N4O3

>  <MolWeight> (367)
472.57868

>  <Cat> (367)
S8057

>  <Name> (367)
Pacritinib (SB1518)

>  <Synonyms> (367)
N/A

>  <Target> (367)
FLT3,JAK

>  <Form> (367)
free base

>  <CAS> (367)
937272-79-2

>  <URL> (367)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
ASP3026   structure.cdx
csChFnd80/06112513542D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    7.2620   14.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6826   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   12.5830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   13.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991   13.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073   12.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  1  9  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 15  1  0  0  0  0
 15  8  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 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 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 38 40  1  0  0  0  0
 38 41  1  0  0  0  0
M  END
>  <Mol_ID> (368)
368

>  <Formula> (368)
C29H40N8O3S

>  <MolWeight> (368)
580.7447

>  <Cat> (368)
S8054

>  <Name> (368)
ASP3026

>  <Synonyms> (368)
N/A

>  <Target> (368)
ALK

>  <Form> (368)
free base

>  <CAS> (368)
1097917-15-1

>  <URL> (368)
http://selleckchem.com/products/asp3026.html

$$$$
Cucurbitacin B.cdx
csChFnd80/06112513542D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    3.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.7124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6061    5.8451    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0387    7.1765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4081    7.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4713    8.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3449    6.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3267    5.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5247    3.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9889    6.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    6.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6611    4.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0134    4.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    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
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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 10 37  1  1  0  0  0
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 28 40  1  0  0  0  0
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  3 42  1  0  0  0  0
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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C32H46O8

>  <MolWeight> (369)
558.70284

>  <Cat> (369)
S8165

>  <Name> (369)
Cucurbitacin B

>  <Synonyms> (369)
N/A

>  <Target> (369)
Microtubule Associated

>  <Form> (369)
free base

>  <CAS> (369)
6199-67-3

>  <URL> (369)
http://selleckchem.com/products/cucurbitacin-b.html

$$$$
Mirin.cdx
csChFnd80/06112513542D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.8229    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    1.9830    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    3.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    4.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    3.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    5.5374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9870    3.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    2.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7363    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7767    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1082    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3993    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3589    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1486    0.0000    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  1  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  2  0  0  0  0
  3  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C10H8N2O2S

>  <MolWeight> (370)
220.24772

>  <Cat> (370)
S8096

>  <Name> (370)
Mirin

>  <Synonyms> (370)
N/A

>  <Target> (370)
ATM/ATR

>  <Form> (370)
free base

>  <CAS> (370)
1198097-97-0

>  <URL> (370)
http://selleckchem.com/products/mirin.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 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
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C19H27N3O6

>  <MolWeight> (371)
393.43418

>  <Cat> (371)
S8171

>  <Name> (371)
Daprodustat (GSK1278863)

>  <Synonyms> (371)
N/A

>  <Target> (371)
HIF

>  <Form> (371)
free base

>  <CAS> (371)
960539-70-2

>  <URL> (371)
http://selleckchem.com/products/daprodustat.html

$$$$
MS023.cdx
csChFnd80/06112513542D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C17H25N3O

>  <MolWeight> (372)
287.3999

>  <Cat> (372)
S8112

>  <Name> (372)
MS023

>  <Synonyms> (372)
N/A

>  <Target> (372)
Histone Methyltransferase,PRMT

>  <Form> (372)
free base

>  <CAS> (372)
1831110-54-3

>  <URL> (372)
http://selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (373)
373

>  <Formula> (373)
C30H28N6O6S4

>  <MolWeight> (373)
696.83992

>  <Cat> (373)
S8068

>  <Name> (373)
Chaetocin

>  <Synonyms> (373)
N/A

>  <Target> (373)
Anti-infection,G9a/GLP,Histone Methyltransferase,Thioredoxin Reductase

>  <Form> (373)
free base

>  <CAS> (373)
28097-03-2

>  <URL> (373)
http://selleckchem.com/products/chaetocin.html

$$$$
ON123300.cdx
csChFnd80/06112513542D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (374)
374

>  <Formula> (374)
C24H27N7O

>  <MolWeight> (374)
429.51748

>  <Cat> (374)
S8161

>  <Name> (374)
ON123300

>  <Synonyms> (374)
N/A

>  <Target> (374)
AMPK,CDK,c-RET,FGFR,PDGFR,Src

>  <Form> (374)
free base

>  <CAS> (374)
1357470-29-1

>  <URL> (374)
http://selleckchem.com/products/on123300.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/06112513542D

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    3.7563    0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.7273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (375)
375

>  <Formula> (375)
C19H27N5O6S

>  <MolWeight> (375)
453.51258

>  <Cat> (375)
S8195

>  <Name> (375)
Oclacitinib?maleate

>  <Synonyms> (375)
PF-03394197

>  <Target> (375)
JAK

>  <Form> (375)
maleate

>  <CAS> (375)
1640292-55-2

>  <URL> (375)
http://selleckchem.com/products/oclacitinib-maleate.html

$$$$
PF-CBP1.cdx
csChFnd80/06112513542D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.4282    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    3.0710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    5.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    6.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    8.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    9.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844   10.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9150   10.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    9.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7074    2.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5074    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  2  0  0  0  0
 21 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 21  1  0  0  0  0
 25 31  1  0  0  0  0
 22 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (376)
376

>  <Formula> (376)
C29H37ClN4O3

>  <MolWeight> (376)
525.08208

>  <Cat> (376)
S8180

>  <Name> (376)
PF-CBP1 HCl

>  <Synonyms> (376)
N/A

>  <Target> (376)
Epigenetic Reader Domain

>  <Form> (376)
Hydrochloride

>  <CAS> (376)
2070014-93-4

>  <URL> (376)
http://selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (377)
377

>  <Formula> (377)
C22H28N4O2

>  <MolWeight> (377)
380.48332

>  <Cat> (377)
S8111

>  <Name> (377)
GSK591

>  <Synonyms> (377)
EPZ015866, GSK3203591

>  <Target> (377)
Histone Methyltransferase,PRMT

>  <Form> (377)
free base

>  <CAS> (377)
1616391-87-7

>  <URL> (377)
http://selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/06112513542D

 41 45  0  0  0  0  0  0  0  0999 V2000
    0.6354    6.4329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9778    6.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9777    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7737    2.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7742    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1997    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1997    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660    0.0034    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    4.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1935    6.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4034    7.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4034    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1910    9.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785    7.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6116    6.8007    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.3979    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1780    2.8428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5303    3.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1679    4.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8779    3.5663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8914    1.8576    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6676   10.3041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 16  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
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>  <Mol_ID> (378)
378

>  <Formula> (378)
C28H22ClF3N6O3

>  <MolWeight> (378)
582.9608896

>  <Cat> (378)
S8206

>  <Name> (378)
Ivosidenib (AG-120)

>  <Target> (378)
Dehydrogenase

>  <Form> (378)
free base

>  <CAS> (378)
1448347-49-6

>  <URL> (378)
http://selleckchem.com/products/ag-120-Ivosidenib.html

$$$$
HLCL-61.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (379)
379

>  <Formula> (379)
C23H25ClN2O

>  <MolWeight> (379)
380.9104

>  <Cat> (379)
S8209

>  <Name> (379)
HLCL-61 HCL

>  <Synonyms> (379)
HLCL61

>  <Target> (379)
Histone Methyltransferase,PRMT

>  <Form> (379)
hydrochloride

>  <CAS> (379)
1158279-20-9

>  <URL> (379)
http://selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/06112513542D

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>  <Mol_ID> (380)
380

>  <Formula> (380)
C19H17F6N7O

>  <MolWeight> (380)
473.3749992

>  <Cat> (380)
S8205

>  <Name> (380)
Enasidenib (AG-221)

>  <Synonyms> (380)
N/A

>  <Target> (380)
Dehydrogenase

>  <Form> (380)
free base

>  <CAS> (380)
1446502-11-9

>  <URL> (380)
http://selleckchem.com/products/ag-221-enasidenib.html

$$$$

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>  <Mol_ID> (381)
381

>  <Formula> (381)
C11H7N5O

>  <MolWeight> (381)
225.20618

>  <Cat> (381)
S1059

>  <Name> (381)
KDM4D-IN-1

>  <Synonyms> (381)
N/A

>  <Target> (381)
Histone Demethylase

>  <Form> (381)
Free Base

>  <CAS> (381)
2098902-68-0

>  <URL> (381)
http://www.selleck.cn/products/kdm4d-in1.html

$$$$
BI-7273.cdx
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>  <Mol_ID> (382)
382

>  <Formula> (382)
C20H23N3O3

>  <MolWeight> (382)
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>  <Cat> (382)
S8179

>  <Name> (382)
BI-7273

>  <Synonyms> (382)
N/A

>  <Target> (382)
Epigenetic Reader Domain

>  <Form> (382)
free base

>  <CAS> (382)
1883429-21-7

>  <URL> (382)
http://selleckchem.com/products/bi-7273.html

$$$$
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M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C13H7Cl2N3O

>  <MolWeight> (383)
292.12018

>  <Cat> (383)
S8323

>  <Name> (383)
ITSA-1 (ITSA1)

>  <Synonyms> (383)
N/A

>  <Target> (383)
HDAC

>  <Form> (383)
free base

>  <CAS> (383)
200626-61-5

>  <URL> (383)
http://selleckchem.com/products/itsa-1-itsa1.html

$$$$
NSC228155.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C11H6N4O4S

>  <MolWeight> (384)
290.25474

>  <Cat> (384)
S8312

>  <Name> (384)
NSC228155

>  <Synonyms> (384)
N/A

>  <Target> (384)
EGFR

>  <Form> (384)
free base

>  <CAS> (384)
113104-25-9

>  <URL> (384)
http://selleckchem.com/products/nsc228155.html

$$$$
CPI-637.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C22H22N6O

>  <MolWeight> (385)
386.44968

>  <Cat> (385)
S8190

>  <Name> (385)
CPI-637

>  <Synonyms> (385)
N/A

>  <Target> (385)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (385)
free base

>  <CAS> (385)
1884712-47-3

>  <URL> (385)
http://selleckchem.com/products/cpi-637.html

$$$$
CPI-1205.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C27H33F3N4O3

>  <MolWeight> (386)
518.5711296

>  <Cat> (386)
S8353

>  <Name> (386)
Lirametostat (CPI-1205)

>  <Synonyms> (386)
CPI 1205, CPI1205

>  <Target> (386)
EZH1/2,Histone Methyltransferase

>  <Form> (386)
free base

>  <CAS> (386)
1621862-70-1

>  <URL> (386)
http://selleckchem.com/products/cpi-1205.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (387)
387

>  <Formula> (387)
C20H25N3O2

>  <MolWeight> (387)
339.4314

>  <Cat> (387)
S1073

>  <Name> (387)
BML-210 (CAY10433)

>  <Synonyms> (387)
N/A

>  <Target> (387)
HDAC

>  <Form> (387)
Free Base

>  <CAS> (387)
537034-17-6

>  <URL> (387)
http://www.selleck.cn/products/bml210-cay10433.html

$$$$
BGP-15.cdx
csChFnd80/06112513542D

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   17.9471    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1595    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3720    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5844    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5844    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3720    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1595    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   24.1496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.1496    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
  5  7  1  0  0  0  0
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 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C14H24Cl2N4O2

>  <MolWeight> (388)
351.27196

>  <Cat> (388)
S8370

>  <Name> (388)
BGP-15 2HCl

>  <Synonyms> (388)
N/A

>  <Target> (388)
PARP

>  <Form> (388)
dihydrochloride

>  <CAS> (388)
66611-37-8

>  <URL> (388)
http://selleckchem.com/products/bgp-15.html

$$$$
CPI-455.cdx
csChFnd80/06112513542D

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    7.0455    1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2579    1.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2579    3.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  8  9  1  0  0  0  0
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  6 11  2  0  0  0  0
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M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C16H15ClN4O

>  <MolWeight> (389)
314.7695

>  <Cat> (389)
S8287

>  <Name> (389)
CPI-455 HCl

>  <Synonyms> (389)
N/A

>  <Target> (389)
Histone Demethylase,JMJD

>  <Form> (389)
hydrochloride

>  <CAS> (389)
2095432-28-1

>  <URL> (389)
https://www.selleckchem.com/products/cpi-455-hcl.html

$$$$
ML-7.cdx
csChFnd80/06112513542D

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    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C15H18ClIN2O2S

>  <MolWeight> (390)
452.73809

>  <Cat> (390)
S8388

>  <Name> (390)
ML-7 HCl

>  <Synonyms> (390)
N/A

>  <Target> (390)
MLCK,PKA,PKC

>  <Form> (390)
hydrochloride

>  <CAS> (390)
110448-33-4

>  <URL> (390)
http://selleckchem.com/products/ml-7.html

$$$$
UNC3866.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C43H66N6O8

>  <MolWeight> (391)
795.01954

>  <Cat> (391)
S8359

>  <Name> (391)
UNC3866

>  <Synonyms> (391)
N/A

>  <Target> (391)
Histone Methyltransferase

>  <Form> (391)
free base

>  <CAS> (391)
1872382-47-2

>  <URL> (391)
http://selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C15H26Cl2N2O

>  <MolWeight> (392)
321.28574

>  <Cat> (392)
S8147

>  <Name> (392)
MS049

>  <Synonyms> (392)
N/A

>  <Target> (392)
Histone Methyltransferase,PRMT

>  <Form> (392)
dihydrochloride

>  <CAS> (392)
2095432-59-8

>  <URL> (392)
http://selleckchem.com/products/ms049.html

$$$$
SRT2183.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (393)
393

>  <Formula> (393)
C27H24N4O2S

>  <MolWeight> (393)
468.57006

>  <Cat> (393)
S8270

>  <Name> (393)
SRT2183

>  <Synonyms> (393)
N/A

>  <Target> (393)
Sirtuin

>  <Form> (393)
free base

>  <CAS> (393)
1001908-89-9

>  <URL> (393)
http://selleckchem.com/products/srt2183.html

$$$$
UNC0638.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (394)
394

>  <Formula> (394)
C30H47N5O2

>  <MolWeight> (394)
509.72648

>  <Cat> (394)
S8071

>  <Name> (394)
UNC0638

>  <Target> (394)
Antiviral,G9a/GLP,Histone Methyltransferase

>  <Form> (394)
free base

>  <CAS> (394)
1255580-76-7

>  <URL> (394)
http://selleckchem.com/products/unc0638.html

$$$$
RRx-001.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (395)
395

>  <Formula> (395)
C5H6BrN3O5

>  <MolWeight> (395)
268.02224

>  <Cat> (395)
S8405

>  <Name> (395)
RRx-001

>  <Synonyms> (395)
N/A

>  <Target> (395)
Apoptosis related,Dehydrogenase

>  <Form> (395)
free base

>  <CAS> (395)
925206-65-1

>  <URL> (395)
http://selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
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M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C34H51N3O3S

>  <MolWeight> (396)
581.85204

>  <Cat> (396)
S8245

>  <Name> (396)
Thiomyristoyl

>  <Synonyms> (396)
TM

>  <Target> (396)
Sirtuin

>  <Form> (396)
free base

>  <CAS> (396)
1429749-41-6

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

$$$$
Salermide.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C26H22N2O2

>  <MolWeight> (397)
394.46508

>  <Cat> (397)
S8460

>  <Name> (397)
Salermide

>  <Synonyms> (397)
N/A

>  <Target> (397)
Sirtuin

>  <Form> (397)
free base

>  <CAS> (397)
1105698-15-4

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

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  5  1  1  0  0  0  0
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  3  5  1  0  0  0  0
 11  3  2  0  0  0  0
  3  4  1  0  0  0  0
 14  4  1  0  0  0  0
  6  7  1  0  0  0  0
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 13  6  1  0  0  0  0
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 10  8  1  0  0  0  0
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M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C15H18O2

>  <MolWeight> (398)
230.30222

>  <Cat> (398)
S8291

>  <Name> (398)
Atractylenolide I

>  <Synonyms> (398)
N/A

>  <Target> (398)
Immunology & Inflammation related

>  <Form> (398)
free base

>  <CAS> (398)
73069-13-3

>  <URL> (398)
http://selleckchem.com/products/atractylenolide-i.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/06112513542D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C22H19F2N3O4S

>  <MolWeight> (399)
459.4657664

>  <Cat> (399)
S8400

>  <Name> (399)
Mivebresib (ABBV-075)

>  <Synonyms> (399)
N/A

>  <Target> (399)
Apoptosis related,Epigenetic Reader Domain

>  <Form> (399)
free base

>  <CAS> (399)
1445993-26-9

>  <URL> (399)
http://selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/06112513542D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C24H26ClN5O3

>  <MolWeight> (400)
467.94794

>  <Cat> (400)
S8464

>  <Name> (400)
Citarinostat (ACY-241)

>  <Synonyms> (400)
HDAC-IN-2

>  <Target> (400)
HDAC

>  <Form> (400)
free base

>  <CAS> (400)
1316215-12-9

>  <URL> (400)
http://selleckchem.com/products/citarinostat-acy-241.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (401)
401

>  <Formula> (401)
C21H18F3N5O

>  <MolWeight> (401)
413.3957296

>  <Cat> (401)
S2931

>  <Name> (401)
Aurora Kinase Inhibitor III

>  <Synonyms> (401)
N/A

>  <Target> (401)
Aurora Kinase

>  <Form> (401)
Free Base

>  <CAS> (401)
879127-16-9

>  <URL> (401)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
E7449.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (402)
402

>  <Formula> (402)
C18H15N5O

>  <MolWeight> (402)
317.3446

>  <Cat> (402)
S8419

>  <Name> (402)
Stenoparib (E7449)

>  <Synonyms> (402)
2X-121, MGI25036

>  <Target> (402)
PARP

>  <Form> (402)
free base

>  <CAS> (402)
1140964-99-3

>  <URL> (402)
http://selleckchem.com/products/e7449.html

$$$$
MK-8617.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (403)
403

>  <Formula> (403)
C24H21N5O4

>  <MolWeight> (403)
443.45464

>  <Cat> (403)
S8443

>  <Name> (403)
MK-8617

>  <Synonyms> (403)
N/A

>  <Target> (403)
HIF

>  <Form> (403)
free base

>  <CAS> (403)
1187990-87-9

>  <URL> (403)
http://selleckchem.com/products/mk-8617.html

$$$$
NMS-P118.cdx
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>  <Mol_ID> (404)
404

>  <Formula> (404)
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>  <MolWeight> (404)
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>  <Cat> (404)
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>  <Name> (404)
NMS-P118

>  <Synonyms> (404)
N/A

>  <Target> (404)
PARP

>  <Form> (404)
free base

>  <CAS> (404)
1262417-51-5

>  <URL> (404)
http://selleckchem.com/products/nms-p118.html

$$$$
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C22H27N5O3

>  <MolWeight> (405)
409.48148

>  <Cat> (405)
S8265

>  <Name> (405)
GSK6853

>  <Synonyms> (405)
N/A

>  <Target> (405)
Epigenetic Reader Domain

>  <Form> (405)
free base

>  <CAS> (405)
1910124-24-1

>  <URL> (405)
http://selleckchem.com/products/gsk6853.html

$$$$
SRT3025.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C31H32ClN5O2S2

>  <MolWeight> (406)
606.20108

>  <Cat> (406)
S8481

>  <Name> (406)
SRT3025 HCl

>  <Synonyms> (406)
N/A

>  <Target> (406)
Sirtuin

>  <Form> (406)
hydrochloride

>  <CAS> (406)
2070015-26-6

>  <URL> (406)
http://selleckchem.com/products/srt3025.html

$$$$
EED226.cdx
csChFnd80/06112513542D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C17H15N5O3S

>  <MolWeight> (407)
369.3977

>  <Cat> (407)
S8496

>  <Name> (407)
EED226

>  <Synonyms> (407)
N/A

>  <Target> (407)
Epigenetic Reader Domain,Histone Methyltransferase

>  <Form> (407)
free base

>  <CAS> (407)
2083627-02-3

>  <URL> (407)
http://selleckchem.com/products/eed226.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C28H41Cl3N6O2

>  <MolWeight> (408)
600.02314

>  <Cat> (408)
S8006

>  <Name> (408)
BIX 01294

>  <Synonyms> (408)
N/A

>  <Target> (408)
Autophagy,G9a/GLP,Histone Methyltransferase,NSD

>  <Form> (408)
trihydrochloride

>  <CAS> (408)
1392399-03-9

>  <URL> (408)
http://selleckchem.com/products/bix-01294.html

$$$$
Cl-amidine.cdx
csChFnd80/06112513542D

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    6.0622    5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    5.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  2  0  0  0  0
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 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C16H20ClF3N4O4

>  <MolWeight> (409)
424.8026096

>  <Cat> (409)
S8141

>  <Name> (409)
Cl-amidine

>  <Synonyms> (409)
N/A

>  <Target> (409)
Apoptosis related,Immunology & Inflammation related,PAD

>  <Form> (409)
trifluoroacetate

>  <CAS> (409)
1043444-18-3

>  <URL> (409)
http://selleckchem.com/products/cl-amidine.html

$$$$
CRT0066101.cdx
csChFnd80/06112513542D

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    7.1577    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1577    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C18H24Cl2N6O

>  <MolWeight> (410)
411.32876

>  <Cat> (410)
S8366

>  <Name> (410)
CRT0066101 dihydrochloride

>  <Synonyms> (410)
CRT0066101 2HCl

>  <Target> (410)
PKD

>  <Form> (410)
dihydrochloride

>  <CAS> (410)
1883545-60-5

>  <URL> (410)
https://www.selleckchem.com/products/crt0066101-dihydrochloride.html

$$$$
SGC2085.cdx
csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  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
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 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
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 10 15  1  0  0  0  0
  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C19H24N2O2

>  <MolWeight> (411)
312.40606

>  <Cat> (411)
S8340

>  <Name> (411)
SGC2085

>  <Synonyms> (411)
N/A

>  <Target> (411)
Histone Methyltransferase,PRMT

>  <Form> (411)
free base

>  <CAS> (411)
1821908-48-8

>  <URL> (411)
http://selleckchem.com/products/sgc2085.html

$$$$
TMP195.cdx
csChFnd80/06112513542D

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    5.0081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C23H19F3N4O3

>  <MolWeight> (412)
456.4171696

>  <Cat> (412)
S8502

>  <Name> (412)
TMP195

>  <Synonyms> (412)
TFMO 2

>  <Target> (412)
HDAC

>  <Form> (412)
free base

>  <CAS> (412)
1314891-22-9

>  <URL> (412)
http://selleckchem.com/products/tmp195.html

$$$$
SF2523.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C19H17NO5S

>  <MolWeight> (413)
371.40698

>  <Cat> (413)
S8589

>  <Name> (413)
SF2523

>  <Synonyms> (413)
N/A

>  <Target> (413)
DNA-PK,Epigenetic Reader Domain,mTOR,PI3K

>  <Form> (413)
free base

>  <CAS> (413)
1174428-47-7

>  <URL> (413)
http://selleckchem.com/products/sf2523.html

$$$$
LW 6.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (414)
414

>  <Formula> (414)
C26H29NO5

>  <MolWeight> (414)
435.51216

>  <Cat> (414)
S8441

>  <Name> (414)
LW 6

>  <Synonyms> (414)
CAY10585, AC1-001

>  <Target> (414)
HIF

>  <Form> (414)
free base

>  <CAS> (414)
934593-90-5

>  <URL> (414)
http://selleckchem.com/products/lw-6.html

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/06112513542D

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>  <Mol_ID> (415)
415

>  <Formula> (415)
C22H19FN4O2

>  <MolWeight> (415)
390.4102632

>  <Cat> (415)
S8567

>  <Name> (415)
Tucidinostat (Chidamide)

>  <Synonyms> (415)
HBI-8000, CS-055

>  <Target> (415)
HDAC

>  <Form> (415)
free base

>  <CAS> (415)
1616493-44-7

>  <URL> (415)
http://selleckchem.com/products/tucidinostat-chidamide.html

$$$$
3-TYP.cdx
csChFnd80/06112513542D

 11 12  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (416)
416

>  <Formula> (416)
C7H6N4

>  <MolWeight> (416)
146.14934

>  <Cat> (416)
S8628

>  <Name> (416)
3-TYP

>  <Synonyms> (416)
3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (416)
Sirtuin

>  <Form> (416)
free base

>  <CAS> (416)
120241-79-4

>  <URL> (416)
http://selleckchem.com/products/3-typ.html

$$$$
PF-06726304.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (417)
417

>  <Formula> (417)
C22H21Cl2N3O3

>  <MolWeight> (417)
446.32644

>  <Cat> (417)
S8494

>  <Name> (417)
PF-06726304

>  <Synonyms> (417)
PF-6726304

>  <Target> (417)
EZH1/2,Histone Methyltransferase

>  <Form> (417)
free base

>  <CAS> (417)
1616287-82-1

>  <URL> (417)
http://selleckchem.com/products/pf-06726304.html

$$$$
ACSS2 inhibitor.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C20H18N4O2S2

>  <MolWeight> (418)
410.51252

>  <Cat> (418)
S8588

>  <Name> (418)
ACSS2 inhibitor

>  <Synonyms> (418)
N/A

>  <Target> (418)
ACSS2,RSV

>  <Form> (418)
free base

>  <CAS> (418)
508186-14-9

>  <URL> (418)
http://selleckchem.com/products/acss2-inhibitor.html

$$$$
PF-06409577.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C19H16ClNO3

>  <MolWeight> (419)
341.78824

>  <Cat> (419)
S8335

>  <Name> (419)
PF-06409577

>  <Synonyms> (419)
N/A

>  <Target> (419)
AMPK

>  <Form> (419)
free base

>  <CAS> (419)
1467057-23-3

>  <URL> (419)
http://selleckchem.com/products/pf-06409577.html

$$$$
ACY-738.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C14H14N4O2

>  <MolWeight> (420)
270.28656

>  <Cat> (420)
S8648

>  <Name> (420)
ACY-738

>  <Synonyms> (420)
N/A

>  <Target> (420)
HDAC

>  <Form> (420)
free base

>  <CAS> (420)
1375465-91-0

>  <URL> (420)
http://selleckchem.com/products/acy-738.html

$$$$
FM-381.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (421)
421

>  <Formula> (421)
C24H24N6O2

>  <MolWeight> (421)
428.48636

>  <Cat> (421)
S8541

>  <Name> (421)
FM-381

>  <Synonyms> (421)
N/A

>  <Target> (421)
JAK

>  <Form> (421)
free base

>  <CAS> (421)
2226521-65-7

>  <URL> (421)
http://selleckchem.com/products/fm-381.html

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/06112513542D

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>  <Mol_ID> (422)
422

>  <Formula> (422)
C24H32N6O3

>  <MolWeight> (422)
452.54928

>  <Cat> (422)
S8664

>  <Name> (422)
Pemrametostat (GSK3326595)

>  <Synonyms> (422)
EPZ015938

>  <Target> (422)
Histone Methyltransferase,PRMT

>  <Form> (422)
free base

>  <CAS> (422)
1616392-22-3

>  <URL> (422)
http://selleckchem.com/products/gsk3326595-epz015938.html

$$$$
Adenosine Dialdehyde (ADOX).cdx
csChFnd80/06112513542D

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>  <Mol_ID> (423)
423

>  <Formula> (423)
C10H11N5O4

>  <MolWeight> (423)
265.22544

>  <Cat> (423)
S8608

>  <Name> (423)
Adenosine Dialdehyde (ADOX)

>  <Synonyms> (423)
N/A

>  <Target> (423)
SAM MTase,Transferase

>  <Form> (423)
free base

>  <CAS> (423)
34240-05-6

>  <URL> (423)
http://selleckchem.com/products/adenosine-dialdehyde-adox.html

$$$$
OSS_128167.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (424)
424

>  <Formula> (424)
C19H14N2O6

>  <MolWeight> (424)
366.32426

>  <Cat> (424)
S8627

>  <Name> (424)
OSS_128167

>  <Synonyms> (424)
SIRT6-IN-1

>  <Target> (424)
HBV,Sirtuin

>  <Form> (424)
free base

>  <CAS> (424)
887686-02-4

>  <URL> (424)
http://selleckchem.com/products/oss-128167.html

$$$$
LLY-283.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (425)
425

>  <Formula> (425)
C17H18N4O4

>  <MolWeight> (425)
342.34922

>  <Cat> (425)
S8479

>  <Name> (425)
LLY-284

>  <Synonyms> (425)
N/A

>  <Target> (425)
PRMT

>  <Form> (425)
free base

>  <CAS> (425)
2226515-75-7

>  <URL> (425)
https://www.selleckchem.com/products/lly-284.html

$$$$
PF-06651600.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (426)
426

>  <Formula> (426)
C15H19N5O

>  <MolWeight> (426)
285.34426

>  <Cat> (426)
S8538

>  <Name> (426)
Ritlecitinib (PF-06651600)

>  <Synonyms> (426)
N/A

>  <Target> (426)
JAK

>  <Form> (426)
free base

>  <CAS> (426)
1792180-81-4

>  <URL> (426)
http://selleckchem.com/products/pf-06651600.html

$$$$
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csChFnd80/06112513542D

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  7 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  7  1  0  0  0  0
 23 26  1  0  0  0  0
 20 27  2  0  0  0  0
 20 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  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 30  2  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
 33 39  1  0  0  0  0
 31 40  2  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C30H38N8O2

>  <MolWeight> (427)
542.67512

>  <Cat> (427)
S8607

>  <Name> (427)
JQ-EZ-05 (JQEZ5)

>  <Synonyms> (427)
N/A

>  <Target> (427)
EZH1/2,Histone Methyltransferase

>  <Form> (427)
free base

>  <CAS> (427)
1913252-04-6

>  <URL> (427)
http://selleckchem.com/products/jq-ez-05-jqez5.html

$$$$
SNS-314.cdx
csChFnd80/06112513542D

 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> (428)
428

>  <Formula> (428)
C18H15ClN6OS2

>  <MolWeight> (428)
430.9343

>  <Cat> (428)
S8699

>  <Name> (428)
SNS-314 Mesylate

>  <Synonyms> (428)
N/A

>  <Target> (428)
Aurora Kinase

>  <Form> (428)
Mesylate

>  <CAS> (428)
1146618-41-8

>  <URL> (428)
http://selleckchem.com/products/sns-314.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/06112513542D

 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> (429)
429

>  <Formula> (429)
C8H6N2O

>  <MolWeight> (429)
146.14604

>  <Cat> (429)
S9360

>  <Name> (429)
4-Hydroxyquinazoline

>  <Synonyms> (429)
Quinazolin-4-ol, 4-Quinazolinol

>  <Target> (429)
PARP

>  <Form> (429)
free base

>  <CAS> (429)
491-36-1

>  <URL> (429)
https://www.selleckchem.com/products/4-hydroxyquinazoline-.html

$$$$
S9399 1,2,3,4,6-O-Pentagalloylglucose.cdx
csChFnd80/06112513542D

 67 72  0  0  0  0  0  0  0  0999 V2000
    9.6994    9.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6994    8.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    8.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    9.7998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871   10.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366   11.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   13.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366   16.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   14.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   11.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.7998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    8.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    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
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   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2123   11.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   13.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    8.3998    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
  5  7  1  1  0  0  0
  1  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 11 19  1  0  0  0  0
  1 16  1  1  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 25  2  0  0  0  0
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 20 28  1  0  0  0  0
 25 29  1  0  0  0  0
 24 30  1  0  0  0  0
 23 31  1  0  0  0  0
  2 28  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 33 38  2  0  0  0  0
 32 39  2  0  0  0  0
 32 40  1  0  0  0  0
 37 41  1  0  0  0  0
 36 42  1  0  0  0  0
 35 43  1  0  0  0  0
  3 40  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 45 50  2  0  0  0  0
 44 51  2  0  0  0  0
 44 52  1  0  0  0  0
 49 53  1  0  0  0  0
 48 54  1  0  0  0  0
 47 55  1  0  0  0  0
  4 52  1  6  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 57 62  2  0  0  0  0
 56 63  2  0  0  0  0
 56 64  1  0  0  0  0
 61 65  1  0  0  0  0
 60 66  1  0  0  0  0
 59 67  1  0  0  0  0
  7 64  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C41H32O26

>  <MolWeight> (430)
940.67718

>  <Cat> (430)
S9399

>  <Name> (430)
1,2,3,4,6-O-Pentagalloylglucose

>  <Target> (430)
Others

>  <Form> (430)
free base

>  <CAS> (430)
14937-32-7

>  <URL> (430)
https://www.selleckchem.com/products/o-pentagalloylglucose.html

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/06112513542D

 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
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   22.5937   11.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6045   14.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4748    9.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7533   10.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9027   11.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1812   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3151   11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3260   13.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7009    4.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3456   10.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4877    6.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1528    6.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7623    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6937    9.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9094    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    2.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0169   13.8727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2132    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7539   15.5152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7230   11.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4307    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    4.8762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9967    9.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0324   16.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0015   11.6563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  6  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10 11  1  0  0  0  0
 11  8  1  0  0  0  0
 12  5  1  0  0  0  0
 13 16  2  0  0  0  0
 14 19  2  0  0  0  0
  2 15  1  6  0  0  0
 16 29  1  0  0  0  0
 17 30  2  0  0  0  0
 18 28  2  0  0  0  0
 19 31  1  0  0  0  0
 20 15  1  0  0  0  0
 21 33  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  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
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 30 26  1  0  0  0  0
 31 26  2  0  0  0  0
 11 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 20  2  0  0  0  0
 35 21  2  0  0  0  0
  1 36  1  6  0  0  0
  4 37  1  6  0  0  0
  7 38  1  1  0  0  0
  9 39  1  1  0  0  0
 10 40  1  6  0  0  0
 41 13  1  0  0  0  0
 42 14  1  0  0  0  0
 43 16  1  0  0  0  0
 44 19  1  0  0  0  0
 45 17  1  0  0  0  0
 46 18  1  0  0  0  0
 12 47  1  6  0  0  0
 48 36  1  0  0  0  0
 49 47  1  0  0  0  0
 50 44  1  0  0  0  0
 51 46  1  0  0  0  0
 52 45  1  0  0  0  0
 53 43  1  0  0  0  0
  9 12  1  0  0  0  0
  7 10  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C34H42O19

>  <MolWeight> (431)
754.68588

>  <Cat> (431)
S9401

>  <Name> (431)
3,6'-Disinapoyl sucrose

>  <Synonyms> (431)
Disinapoyl sucrose

>  <Target> (431)
Others

>  <Form> (431)
free base

>  <CAS> (431)
139891-98-8

>  <URL> (431)
https://www.selleckchem.com/products/3-6-disinapoyl-sucrose.html

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2697    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2697    2.8121    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0490    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0490    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6813    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8431    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    6.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6669    8.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    4.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    6.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4561    9.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    8.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1913    2.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  9 15  2  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C22H24NO4+

>  <MolWeight> (432)
366.43026

>  <Cat> (432)
S9431

>  <Name> (432)
Dehydrocorydalin

>  <Target> (432)
Immunology & Inflammation related

>  <Form> (432)
free base

>  <CAS> (432)
30045-16-0

>  <URL> (432)
https://www.selleckchem.com/products/dehydrocorydalin.html

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/06112513542D

 25 25  0  0  0  0  0  0  0  0999 V2000
    2.4156    4.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4156    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0035    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    6.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8395    4.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    6.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6908    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9032    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6908    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4784    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  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
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C22H34O3

>  <MolWeight> (433)
346.50356

>  <Cat> (433)
S9432

>  <Name> (433)
Ginkgolic Acid

>  <Target> (433)
Histone Acetyltransferase,SUMO

>  <Form> (433)
free base

>  <CAS> (433)
22910-60-7

>  <URL> (433)
https://www.selleckchem.com/products/ginkgolic-acid-s9432.html

$$$$
S9436 Pinoresinol dimethyl ether.cdx
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.3322    2.2271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0533    2.7978    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2008    4.1897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5705    4.4799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2696    3.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    5.8715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5016    5.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4393    6.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    0.6997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6299    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9268    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9281    7.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1417    8.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3546    7.9672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3530    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1397    5.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618    5.8685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5634    8.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7716    7.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7702    6.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360    4.7691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8353    3.9004    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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  6  1  0  0  0  0
  2  9  1  6  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
  9 14  1  0  0  0  0
  6 15  1  6  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
  4 29  1  6  0  0  0
  3 30  1  6  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C22H26O6

>  <MolWeight> (434)
386.43824

>  <Cat> (434)
S9436

>  <Name> (434)
Pinoresinol dimethyl ether

>  <Target> (434)
PDE

>  <Form> (434)
free base

>  <CAS> (434)
29106-36-3

>  <URL> (434)
https://www.selleckchem.com/products/pinoresinol-dimethyl-ether.html

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/06112513542D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (435)
435

>  <Formula> (435)
C20H32O3

>  <MolWeight> (435)
320.46628

>  <Cat> (435)
S9445

>  <Name> (435)
Ginkgolic Acid (C13:0)

>  <Target> (435)
Histone Acetyltransferase,SUMO

>  <Form> (435)
free base

>  <CAS> (435)
20261-38-5

>  <URL> (435)
https://www.selleckchem.com/products/ginkgolic-acid-s9445.html

$$$$

csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6119    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019    6.1484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8794    7.0852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1093    4.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 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> (436)
436

>  <Formula> (436)
C17H12F3NO4S

>  <MolWeight> (436)
383.3416896

>  <Cat> (436)
S8352

>  <Name> (436)
PT2385

>  <Synonyms> (436)
N/A

>  <Target> (436)
HIF

>  <Form> (436)
Free Base

>  <CAS> (436)
1672665-49-4

>  <URL> (436)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    2.4249    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6628    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4531    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    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
  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
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  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
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C17H13ClNO5P

>  <MolWeight> (437)
377.715581

>  <Cat> (437)
S8409

>  <Name> (437)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (437)
N/A

>  <Target> (437)
Epigenetic Reader Domain

>  <Form> (437)
Free Base

>  <CAS> (437)
18228-17-6

>  <URL> (437)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/06112513542D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.3668    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.8034    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  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
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 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
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (438)
438

>  <Formula> (438)
C16H15FN4O

>  <MolWeight> (438)
298.3149032

>  <Cat> (438)
S8592

>  <Name> (438)
Pamiparib (BGB-290)

>  <Synonyms> (438)
N/A

>  <Target> (438)
PARP

>  <Form> (438)
Free Base

>  <CAS> (438)
1446261-44-4

>  <URL> (438)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/06112513542D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 15  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (439)
439

>  <Formula> (439)
C24H18ClN3O3

>  <MolWeight> (439)
431.87102

>  <Cat> (439)
S8654

>  <Name> (439)
ex229 (compound 991)

>  <Synonyms> (439)
N/A

>  <Target> (439)
AMPK

>  <Form> (439)
Free Base

>  <CAS> (439)
1219739-36-2

>  <URL> (439)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/06112513542D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4700    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 27  2  0  0  0  0
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M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C20H21N3O5S

>  <MolWeight> (440)
415.46284

>  <Cat> (440)
S8714

>  <Name> (440)
INCB057643

>  <Synonyms> (440)
N/A

>  <Target> (440)
Epigenetic Reader Domain

>  <Form> (440)
Free Base

>  <CAS> (440)
1820889-23-3

>  <URL> (440)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/06112513542D

 36 39  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
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 11 16  1  0  0  0  0
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 22 23  1  0  0  0  0
 23  8  2  0  0  0  0
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 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
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M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C28H30FN3O4

>  <MolWeight> (441)
491.5539032

>  <Cat> (441)
S8723

>  <Name> (441)
ABBV-744

>  <Synonyms> (441)
N/A

>  <Target> (441)
Epigenetic Reader Domain

>  <Form> (441)
Free Base

>  <CAS> (441)
2138861-99-9

>  <URL> (441)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C18H18FN5O2S

>  <MolWeight> (442)
387.4312232

>  <Cat> (442)
S8727

>  <Name> (442)
Atuveciclib (BAY-1143572)

>  <Synonyms> (442)
N/A

>  <Target> (442)
CDK

>  <Form> (442)
Free Base

>  <CAS> (442)
1414943-88-6

>  <URL> (442)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/06112513542D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C26H26FN7O2

>  <MolWeight> (443)
487.5287432

>  <Cat> (443)
S8741

>  <Name> (443)
Avitinib (AC0010)

>  <Synonyms> (443)
Abivertinib

>  <Target> (443)
BTK,EGFR

>  <Form> (443)
Free Base

>  <CAS> (443)
1557267-42-1

>  <URL> (443)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/06112513542D

 26 30  0  0  0  0  0  0  0  0999 V2000
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C22H18N4

>  <MolWeight> (444)
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N/A

>  <Target> (444)
Rho

>  <Form> (444)
Free Base

>  <CAS> (444)
2097938-73-1

>  <URL> (444)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C16H16N4O2

>  <MolWeight> (445)
296.32384

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S8763

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ZL0420

>  <Synonyms> (445)
N/A

>  <Target> (445)
Epigenetic Reader Domain

>  <Form> (445)
Free Base

>  <CAS> (445)
2229039-45-4

>  <URL> (445)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (446)
446

>  <Formula> (446)
C23H32N2O2

>  <MolWeight> (446)
368.51238

>  <Cat> (446)
S8771

>  <Name> (446)
IDF-11774

>  <Synonyms> (446)
N/A

>  <Target> (446)
HIF

>  <Form> (446)
Free Base

>  <CAS> (446)
1429054-28-3

>  <URL> (446)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/06112513542D

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>  <Mol_ID> (447)
447

>  <Formula> (447)
C38H46O8

>  <MolWeight> (447)
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>  <Cat> (447)
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>  <Name> (447)
Gambogenic acid

>  <Target> (447)
EZH1/2,FGFR

>  <Form> (447)
free base

>  <CAS> (447)
173932-75-7

>  <URL> (447)
https://www.selleckchem.com/products/gambogenic-acid.html

$$$$
S9057 Sinigrin.cdx
csChFnd80/06112513542D

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    1.2188    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2597    6.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2386    1.3827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    7.7277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6219    8.4280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716    8.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    9.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3217    9.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9217    7.2152    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2209    7.2717    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  6  9  1  0  0  0  0
  8 12  2  0  0  0  0
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  9 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C10H16KNO9S2

>  <MolWeight> (448)
397.46364

>  <Cat> (448)
S9057

>  <Name> (448)
Sinigrin

>  <Synonyms> (448)
Allylglucosinolate, 2-Propenylglucosinolate

>  <Target> (448)
Fungal,Immunology & Inflammation related

>  <Form> (448)
free base

>  <CAS> (448)
3952-98-5

>  <URL> (448)
https://www.selleckchem.com/products/sinigrin.html

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  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
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 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
  1 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C21H20O6

>  <MolWeight> (449)
368.3799

>  <Cat> (449)
S9080

>  <Name> (449)
Anhydroicaritin

>  <Synonyms> (449)
Cycloicaritin

>  <Target> (449)
Others

>  <Form> (449)
free base

>  <CAS> (449)
118525-40-9

>  <URL> (449)
https://www.selleckchem.com/products/anhydroicaritin.html

$$$$
S9100 Fraxinellone.cdx
csChFnd80/06112513542D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4309    3.5126    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7621    3.9416    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4309    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3414    5.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2137    1.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    5.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6925    6.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    0.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2137    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9181    6.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6786    7.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  6  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C14H16O3

>  <MolWeight> (450)
232.27504

>  <Cat> (450)
S9100

>  <Name> (450)
Fraxinellone

>  <Target> (450)
Immunology & Inflammation related

>  <Form> (450)
free base

>  <CAS> (450)
28808-62-0

>  <URL> (450)
https://www.selleckchem.com/products/fraxinellone.html

$$$$

csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5543    2.7637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    1.8909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0139    2.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6212    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139    4.7250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6490    5.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    4.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.3311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6593    6.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2970    5.5065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0017    6.2311    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.7202    1.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2865    0.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7640    7.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1  7  1  6  0  0  0
  1  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
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  1  1  0  0  0  0
 12 14  1  0  0  0  0
 14  6  1  0  0  0  0
 12 15  1  1  0  0  0
 14 15  1  1  0  0  0
  4 16  1  0  0  0  0
 10 17  1  1  0  0  0
  2 18  1  1  0  0  0
  3 19  1  1  0  0  0
 13 20  1  6  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
  7 23  2  0  0  0  0
  9 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C20H28O5

>  <MolWeight> (451)
348.43332

>  <Cat> (451)
S9101

>  <Name> (451)
Ingenol

>  <Target> (451)
PKC

>  <Form> (451)
free base

>  <CAS> (451)
30220-46-3

>  <URL> (451)
https://www.selleckchem.com/products/ingenol.html

$$$$
S9141 Berbamine.cdx
csChFnd80/06112513542D

 45 51  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9964    5.8617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7530    8.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3811    8.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1420    7.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    9.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868   10.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904    9.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 29  1  0  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 35 39  2  0  0  0  0
 31 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41  7  1  0  0  0  0
  8 42  1  0  0  0  0
 37 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C37H40N2O6

>  <MolWeight> (452)
608.7233

>  <Cat> (452)
S9141

>  <Name> (452)
Berbamine

>  <Synonyms> (452)
BA, BBM

>  <Target> (452)
Apoptosis related,Bcr-Abl,CaMK,NF-¦ÊB

>  <Form> (452)
free base

>  <CAS> (452)
478-61-5

>  <URL> (452)
https://www.selleckchem.com/products/berbamine.html

$$$$
S9148 Peiminine.cdx
csChFnd80/06112513542D

 39 44  0  0  0  0  0  0  0  0999 V2000
    4.7457    4.1892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9116    3.4804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5798    3.4804    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7691    5.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9545    4.1425    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9116    2.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    2.1036    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3727    4.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9545    5.4372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1791    3.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3727    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    3.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1615    6.2281    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3861    4.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    2.1036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3861    5.5368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1615    7.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5988    6.2868    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3684    8.3904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5988    7.7047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1572    6.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5127    4.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3684    9.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8058    8.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5754   10.5581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8058    9.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5754   11.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    0.7736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5798    4.8804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    2.7892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9545    2.7425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3861    6.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5988    9.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1615    4.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9116    4.8804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9545    6.8372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 31  1  6  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 18  1  0  0  0  0
 17 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  6  0  0  0
 21 25  1  1  0  0  0
 22 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  1  0  0  0
 28 29  1  0  0  0  0
  3 32  1  1  0  0  0
  1 33  1  6  0  0  0
  5 34  1  6  0  0  0
 18 35  1  6  0  0  0
 23 36  1  6  0  0  0
 14 37  1  1  0  0  0
  2 38  1  1  0  0  0
  9 39  1  6  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C27H43NO3

>  <MolWeight> (453)
429.63522

>  <Cat> (453)
S9148

>  <Name> (453)
Peiminine

>  <Synonyms> (453)
Verticinone, Zhebeinone, Raddeanine

>  <Target> (453)
Immunology & Inflammation related

>  <Form> (453)
free base

>  <CAS> (453)
18059-10-4

>  <URL> (453)
https://www.selleckchem.com/products/peiminine.html

$$$$
S9162 Rubimaillin.cdx
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.7915    5.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7969    4.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978    6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    6.2843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112    3.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    3.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2044    5.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925    7.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3772    5.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2108    4.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112    2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    4.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4089    6.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    8.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839    6.8755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4232    3.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8045    1.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2295    1.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4072    7.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8045    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C17H16O4

>  <MolWeight> (454)
284.30654

>  <Cat> (454)
S9162

>  <Name> (454)
Rubimaillin

>  <Synonyms> (454)
Mollugin

>  <Target> (454)
Acyltransferase

>  <CAS> (454)
55481-88-4

>  <URL> (454)
https://www.selleckchem.com/products/rubimaillin.html

$$$$
S9189 Oroxin A.cdx
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4869    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    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
    2.4248    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2123    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    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
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  5 12  2  0  0  0  0
 12 13  1  0  0  0  0
  1 13  1  0  0  0  0
  1 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
 14 19  2  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 21 29  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C21H20O10

>  <MolWeight> (455)
432.3775

>  <Cat> (455)
S9189

>  <Name> (455)
Oroxin A

>  <Synonyms> (455)
Baicalein 7-O-glucoside

>  <Target> (455)
PPAR

>  <Form> (455)
free base

>  <CAS> (455)
57396-78-8

>  <URL> (455)
https://www.selleckchem.com/products/oroxin-a.html

$$$$
S9192 Vitexin.cdx
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.7594    6.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594    7.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9420    5.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5528    4.2008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3500    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9566    8.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572    8.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1454    6.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    3.5099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7864    3.4885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3500    7.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    5.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1360    7.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9566    9.8247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5572    9.7734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    5.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    2.0738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7864    2.0890    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0251    4.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5650    6.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    4.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869    1.3632    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1788    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0235    1.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880    5.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5660    3.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7880    4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9972    3.5129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 12  2  0  0  0  0
  9 17  1  0  0  0  0
  9 14  2  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  6  0  0  0
 17 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  1  0  0  0
 19 25  1  1  0  0  0
 19 23  1  0  0  0  0
 21 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 28  1  6  0  0  0
 24 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (456)
456

>  <Formula> (456)
C21H20O10

>  <MolWeight> (456)
432.3775

>  <Cat> (456)
S9192

>  <Name> (456)
Vitexin

>  <Synonyms> (456)
Apigenin-8-C-glucoside

>  <Target> (456)
Others

>  <Form> (456)
free base

>  <CAS> (456)
3681-93-4

>  <URL> (456)
https://www.selleckchem.com/products/vitexin.html

$$$$
S9204 Oroxylin A.cdx
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8591    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8591    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    1.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6444    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2497    2.1185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0351    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2497    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    4.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    5.6071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6795    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8941    5.5898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (457)
457

>  <Formula> (457)
C16H12O5

>  <MolWeight> (457)
284.26348

>  <Cat> (457)
S9204

>  <Name> (457)
Oroxylin A

>  <Synonyms> (457)
6-Methoxybaicalein

>  <Target> (457)
Immunology & Inflammation related

>  <Form> (457)
free base

>  <CAS> (457)
480-11-5

>  <URL> (457)
https://www.selleckchem.com/products/oroxylin-a.html

$$$$
S9230 Vaccarin.cdx
csChFnd80/06112513542D

 51 56  0  0  0  0  0  0  0  0999 V2000
    6.0612    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2734    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2734   10.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6979    7.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9101    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6979   10.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290   10.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6979    6.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534   10.4992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3412   12.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290   11.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7657   12.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489   10.4992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2734    6.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    7.6977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6367    8.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    7.6977    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4245    6.2968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6367    5.5965    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8489    6.2968    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6367    4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    8.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    4.1956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8421    3.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    1.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2734    2.0944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2734    3.4953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4789    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779   11.9001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9779   10.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1901    9.7989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4024   10.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4024   11.9001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1901   12.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146   12.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1901    8.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7657    9.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146    9.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8268   11.8933    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
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21  2  1  1  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
 25 27  1  1  0  0  0
 23 28  1  1  0  0  0
 24 29  1  6  0  0  0
 26 30  1  6  0  0  0
 31 30  1  1  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
 35 37  1  1  0  0  0
 28 38  1  0  0  0  0
 36 39  1  6  0  0  0
 34 40  1  1  0  0  0
 41 18  1  6  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 45 47  1  6  0  0  0
 43 48  1  6  0  0  0
 42 49  1  1  0  0  0
 44 50  1  1  0  0  0
 47 51  1  0  0  0  0
M  END
>  <Mol_ID> (458)
458

>  <Formula> (458)
C32H38O19

>  <MolWeight> (458)
726.63272

>  <Cat> (458)
S9230

>  <Name> (458)
Vaccarin

>  <Target> (458)
Others

>  <Form> (458)
free base

>  <CAS> (458)
53452-16-7

>  <URL> (458)
https://www.selleckchem.com/products/vaccarin.html

$$$$
S9275 Isoguanosine.cdx
csChFnd80/06112513542D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  1  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C10H13N5O5

>  <MolWeight> (459)
283.24072

>  <Cat> (459)
S9275

>  <Name> (459)
Isoguanosine

>  <Synonyms> (459)
Crotonoside

>  <Target> (459)
FLT3,HDAC

>  <Form> (459)
free base

>  <CAS> (459)
1818-71-9

>  <URL> (459)
https://www.selleckchem.com/products/isoguanosine.html

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248   11.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0001    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3869    3.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8218    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    6.0266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9566    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    2.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C17H26O11

>  <MolWeight> (460)
406.38174

>  <Cat> (460)
S9307

>  <Name> (460)
Shanzhiside methyl ester

>  <Target> (460)
Glucagon Receptor

>  <Form> (460)
free base

>  <CAS> (460)
64421-28-9

>  <URL> (460)
https://www.selleckchem.com/products/shanzhiside-methyl-ester.html

$$$$
S9319 Cryptochlorogenic acid.cdx
csChFnd80/06112513542D

 25 26  0  0  0  0  0  0  0  0999 V2000
    5.8119    2.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C16H18O9

>  <MolWeight> (461)
354.30872

>  <Cat> (461)
S9319

>  <Name> (461)
Cryptochlorogenic acid

>  <Synonyms> (461)
4-Caffeoylquinic acid, 4-O-Caffeoylquinic acid

>  <Target> (461)
Others

>  <Form> (461)
free base

>  <CAS> (461)
905-99-7

>  <URL> (461)
https://www.selleckchem.com/products/cryptochlorogenic-acid.html

$$$$
S9046 Berberine.cdx
csChFnd80/06112513542D

 25 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C20H18NO4+

>  <MolWeight> (462)
336.36122

>  <Cat> (462)
S9046

>  <Name> (462)
Berberine

>  <Synonyms> (462)
Umbellatine

>  <Target> (462)
Bacterial

>  <Form> (462)
free base

>  <CAS> (462)
2086-83-1

>  <URL> (462)
https://www.selleckchem.com/products/berberine.html

$$$$
S9024 AKBA.cdx
csChFnd80/06112513542D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C32H48O5

>  <MolWeight> (463)
512.72052

>  <Cat> (463)
S9024

>  <Name> (463)
3-O-Acetyl-11-keto-¦Â-boswellic acid (AKBA)

>  <Synonyms> (463)
FA42758

>  <Target> (463)
Lipoxygenase

>  <CAS> (463)
67416-61-9

>  <URL> (463)
https://www.selleckchem.com/products/akba.html

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/06112513542D

 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
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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
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  6 10  2  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C9H8O2

>  <MolWeight> (464)
148.15862

>  <Cat> (464)
S9379

>  <Name> (464)
Dihydrocoumarin

>  <Target> (464)
Others

>  <Form> (464)
free base

>  <CAS> (464)
119-84-6

>  <URL> (464)
https://www.selleckchem.com/products/dihydrocoumarin.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/06112513542D

 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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    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C20H21N3O2

>  <MolWeight> (465)
335.39964

>  <Cat> (465)
S8049

>  <Name> (465)
Tubastatin A

>  <Target> (465)
Apoptosis related,Autophagy,HDAC

>  <CAS> (465)
1252003-15-8

>  <URL> (465)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/06112513542D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (466)
466

>  <Formula> (466)
C15H16N2O2

>  <MolWeight> (466)
256.29974

>  <Cat> (466)
S8773

>  <Name> (466)
TH34

>  <Synonyms> (466)
N/A

>  <Target> (466)
HDAC

>  <Form> (466)
Free Base

>  <CAS> (466)
2196203-96-8

>  <URL> (466)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/06112513542D

 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
    2.9455    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6791    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    3.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9302    7.7572    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
  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> (467)
467

>  <Formula> (467)
C18H13F2N3O3S

>  <MolWeight> (467)
389.3759264

>  <Cat> (467)
S8776

>  <Name> (467)
WM-1119

>  <Synonyms> (467)
N/A

>  <Target> (467)
Histone Acetyltransferase

>  <Form> (467)
Free Base

>  <CAS> (467)
2055397-28-7

>  <URL> (467)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/06112513542D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1476    4.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1542    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0575    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245    4.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  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
 12 16  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
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C27H19ClN2O3

>  <MolWeight> (468)
454.90436

>  <Cat> (468)
S8803

>  <Name> (468)
MK-3903

>  <Synonyms> (468)
N/A

>  <Target> (468)
AMPK

>  <Form> (468)
Free Base

>  <CAS> (468)
1219737-12-8

>  <URL> (468)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/06112513542D

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   13.1054    2.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9931    1.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
 10 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C12H21N5O3

>  <MolWeight> (469)
283.32684

>  <Cat> (469)
S9472

>  <Name> (469)
Oxtriphylline

>  <Synonyms> (469)
N/A

>  <Target> (469)
PDE Inhibitor, Adenosine receptor, & Histone deacetylase

>  <Form> (469)
Free Base

>  <CAS> (469)
4499-40-5

>  <URL> (469)
N/A

$$$$

csChFnd80/06112513542D

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C44H64O24

>  <MolWeight> (470)
976.96456

>  <Cat> (470)
S9511

>  <Name> (470)
Crocin I

>  <Synonyms> (470)
N/A

>  <Target> (470)
Others

>  <Form> (470)
Free Base

>  <CAS> (470)
94238-00-3

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

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C15H22O2

>  <MolWeight> (471)
234.33398

>  <Cat> (471)
S9554

>  <Name> (471)
Bakkenolide A

>  <Synonyms> (471)
Fukinanolid

>  <Target> (471)
Others

>  <Form> (471)
Free Base

>  <CAS> (471)
19906-72-0

>  <URL> (471)
http://www.selleckchem.com/products/bakkenolide-a.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (472)
472

>  <Formula> (472)
C38H37ClN8O7S

>  <MolWeight> (472)
785.26778

>  <Cat> (472)
S8296

>  <Name> (472)
dBET1

>  <Synonyms> (472)
N/A

>  <Target> (472)
Epigenetic Reader Domain,PROTAC

>  <Form> (472)
free base

>  <CAS> (472)
1799711-21-9

>  <URL> (472)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/06112513542D

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  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22  2  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
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 43 47  2  0  0  0  0
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M  END
>  <Mol_ID> (473)
473

>  <Formula> (473)
C42H45ClN8O7S

>  <MolWeight> (473)
841.3741

>  <Cat> (473)
S8762

>  <Name> (473)
dBET6

>  <Synonyms> (473)
N/A

>  <Target> (473)
Apoptosis related,Epigenetic Reader Domain,Myc,PROTAC

>  <Form> (473)
free base

>  <CAS> (473)
1950634-92-0

>  <URL> (473)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (474)
474

>  <Formula> (474)
C14H21N5O2S

>  <MolWeight> (474)
323.41384

>  <Cat> (474)
S8765

>  <Name> (474)
Abrocitinib (PF-04965842)

>  <Synonyms> (474)
N/A

>  <Target> (474)
JAK

>  <Form> (474)
free base

>  <CAS> (474)
1622902-68-4

>  <URL> (474)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/06112513542D

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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
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 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
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  4 20  1  0  0  0  0
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M  END
>  <Mol_ID> (475)
475

>  <Formula> (475)
C18H21F2N7O

>  <MolWeight> (475)
389.4024464

>  <Cat> (475)
S8804

>  <Name> (475)
Brepocitinib (PF-06700841)

>  <Synonyms> (475)
PF-841

>  <Target> (475)
JAK

>  <Form> (475)
Free Base

>  <CAS> (475)
1883299-62-4

>  <URL> (475)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/06112513542D

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compound 3i (666-15)

>  <Synonyms> (476)
N/A

>  <Target> (476)
Epigenetic Reader Domain

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Free Base

>  <CAS> (476)
1433286-70-4

>  <URL> (476)
http://www.selleck.cn/products/compound-3i.html

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477

>  <Formula> (477)
C17H18F2N2O

>  <MolWeight> (477)
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SR-4370

>  <Synonyms> (477)
N/A

>  <Target> (477)
HDAC

>  <Form> (477)
Free Base

>  <CAS> (477)
1816294-67-3

>  <URL> (477)
http://www.selleck.cn/products/sr4370.html

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478

>  <Formula> (478)
C19H18N4O3

>  <MolWeight> (478)
350.37122

>  <Cat> (478)
S8684

>  <Name> (478)
Selective JAK3 inhibitor 1

>  <Synonyms> (478)
N/A

>  <Target> (478)
JAK

>  <Form> (478)
Free Base

>  <CAS> (478)
1443235-95-7

>  <URL> (478)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

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>  <Mol_ID> (479)
479

>  <Formula> (479)
C26H22N4O3

>  <MolWeight> (479)
438.47788

>  <Cat> (479)
S8739

>  <Name> (479)
PLX51107

>  <Synonyms> (479)
N/A

>  <Target> (479)
Epigenetic Reader Domain

>  <Form> (479)
Free Base

>  <CAS> (479)
1627929-55-8

>  <URL> (479)
http://www.selleck.cn/products/plx51107.html

$$$$

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>  <Formula> (480)
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>  <MolWeight> (480)
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>  <Cat> (480)
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>  <Name> (480)
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>  <Synonyms> (480)
INCB-054329, INCB-54329

>  <Target> (480)
Epigenetic Reader Domain

>  <Form> (480)
Free Base

>  <CAS> (480)
1628607-64-6

>  <URL> (480)
http://www.selleck.cn/products/incb054329.html

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   10.3166    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5166    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9166    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6166    7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6166    9.7497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0166    9.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  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
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C19H28Cl2N4O2

>  <MolWeight> (481)
415.35722

>  <Cat> (481)
S8769

>  <Name> (481)
Tinostamustine(EDO-S101)

>  <Synonyms> (481)
N/A

>  <Target> (481)
HDAC

>  <Form> (481)
Free Base

>  <CAS> (481)
1236199-60-2

>  <URL> (481)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    2.0694    5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  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> (482)
482

>  <Formula> (482)
C18H23ClN4O

>  <MolWeight> (482)
346.85442

>  <Cat> (482)
S8438

>  <Name> (482)
T-3775440 HCl

>  <Synonyms> (482)
N/A

>  <Target> (482)
Histone Demethylase,LSD1

>  <Form> (482)
HCl

>  <CAS> (482)
1422535-52-1

>  <URL> (482)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/06112513542D

 29 31  0  0  0  0  0  0  0  0999 V2000
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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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   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> (483)
483

>  <Formula> (483)
C21H24N4O4

>  <MolWeight> (483)
396.43966

>  <Cat> (483)
S8743

>  <Name> (483)
SKLB-23bb

>  <Synonyms> (483)
N/A

>  <Target> (483)
HDAC

>  <Form> (483)
free base

>  <CAS> (483)
1815580-06-3

>  <URL> (483)
http://www.selleck.cn/products/sklb-23bb.html

$$$$

csChFnd80/06112513542D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  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
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 17 18  1  0  0  0  0
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  5  6  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C14H11ClN2O4

>  <MolWeight> (484)
306.70114

>  <Cat> (484)
S6490

>  <Name> (484)
Vadadustat

>  <Synonyms> (484)
AKB-6548, B-506, PG-1016548

>  <Target> (484)
HIF

>  <Form> (484)
Free Base

>  <CAS> (484)
1000025-07-9

>  <URL> (484)
http://www.selleck.cn/products/vadadustat.html

$$$$

csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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   11.6119    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8 11  2  0  0  0  0
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  8 13  1  0  0  0  0
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 10 12  2  0  0  0  0
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 22 24  2  0  0  0  0
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 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C20H17FN2O3S

>  <MolWeight> (485)
384.4239832

>  <Cat> (485)
S6655

>  <Name> (485)
WM-8014

>  <Synonyms> (485)
N/A

>  <Target> (485)
Histone Acetyltransferase

>  <Form> (485)
Free Base

>  <CAS> (485)
2055397-18-5

>  <URL> (485)
http://www.selleck.cn/products/wm-8014.html

$$$$

csChFnd80/06112513542D

 34 37  0  0  0  0  0  0  0  0999 V2000
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 28 29  1  0  0  0  0
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 19 21  2  0  0  0  0
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 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
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 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (490)
490

>  <Formula> (490)
C25H19N5OS2

>  <MolWeight> (490)
469.58126

>  <Cat> (490)
S6744

>  <Name> (490)
Inauhzin

>  <Synonyms> (490)
N/A

>  <Target> (490)
Sirtuin

>  <Form> (490)
Free Base

>  <CAS> (490)
309271-94-1

>  <URL> (490)
http://www.selleck.cn/products/inauhzin.html

$$$$

csChFnd80/06112513542D

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.9368    2.2528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    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
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 N   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
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    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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   15.0430    9.0457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4217    9.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 15 16  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 31 32  1  0  0  0  0
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 15 17  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (491)
491

>  <Formula> (491)
C25H26N2O5

>  <MolWeight> (491)
434.48434

>  <Cat> (491)
S6745

>  <Name> (491)
JW55

>  <Synonyms> (491)
N/A

>  <Target> (491)
PARP,Wnt/beta-catenin

>  <Form> (491)
Free Base

>  <CAS> (491)
664993-53-7

>  <URL> (491)
http://www.selleck.cn/products/jw55.html

$$$$

csChFnd80/06112513542D

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5816    6.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9465    6.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5539    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9465    8.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5816    9.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194   10.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   11.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2038    9.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0766   10.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (492)
492

>  <Formula> (492)
C27H36N2O5

>  <MolWeight> (492)
468.58514

>  <Cat> (492)
S6758

>  <Name> (492)
I-CBP112

>  <Synonyms> (492)
N/A

>  <Target> (492)
Epigenetic Reader Domain

>  <Form> (492)
Free Base

>  <CAS> (492)
1640282-31-0

>  <URL> (492)
http://www.selleck.cn/products/i-cbp112.html

$$$$

csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8375    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4707    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4707    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    4.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (493)
493

>  <Formula> (493)
C21H25N3O4

>  <MolWeight> (493)
383.4409

>  <Cat> (493)
S2184

>  <Name> (493)
WDR5-0103

>  <Synonyms> (493)
WD-Repeat Protein 5-0103

>  <Target> (493)
Histone Methyltransferase,WDR5

>  <Form> (493)
Free Base

>  <CAS> (493)
890190-22-4

>  <URL> (493)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/06112513542D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (494)
494

>  <Formula> (494)
C18H37NO2

>  <MolWeight> (494)
299.49188

>  <Cat> (494)
S2210

>  <Name> (494)
Sphingosine

>  <Synonyms> (494)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (494)
Others

>  <Form> (494)
Free Base

>  <CAS> (494)
123-78-4

>  <URL> (494)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/06112513542D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.8543    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0698    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0644    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8512    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6414    2.1019    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.2914    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2914    4.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4948    2.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C11H15ClN2O5

>  <MolWeight> (495)
290.7002

>  <Cat> (495)
S2935

>  <Name> (495)
Nicotinamide Riboside Chloride

>  <Synonyms> (495)
N/A

>  <Target> (495)
Sirtuin

>  <Form> (495)
Chloride

>  <CAS> (495)
23111-00-4

>  <URL> (495)
http://www.selleck.cn/products/nicotinamide-riboside-chloride.html

$$$$

csChFnd80/06112513542D

 24 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (496)
496

>  <Formula> (496)
C19H23N3O2

>  <MolWeight> (496)
325.40482

>  <Cat> (496)
S6548

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NKL 22

>  <Synonyms> (496)
N/A

>  <Target> (496)
HDAC

>  <Form> (496)
Free Base

>  <CAS> (496)
537034-15-4

>  <URL> (496)
http://www.selleck.cn/products/nkl-22.html

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csChFnd80/06112513542D

 25 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (497)
497

>  <Formula> (497)
C21H38N2OS

>  <MolWeight> (497)
366.60422

>  <Cat> (497)
S6687

>  <Name> (497)
SIS17

>  <Synonyms> (497)
N/A

>  <Target> (497)
HDAC

>  <Form> (497)
Free Base

>  <CAS> (497)
2374313-54-7

>  <URL> (497)
http://www.selleck.cn/products/sis17.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (498)
498

>  <Formula> (498)
C28H38N4O3

>  <MolWeight> (498)
478.62632

>  <Cat> (498)
S8812

>  <Name> (498)
CM272

>  <Synonyms> (498)
N/A

>  <Target> (498)
DNA Methyltransferase

>  <Form> (498)
Free Base

>  <CAS> (498)
1846570-31-7

>  <URL> (498)
http://www.selleck.cn/products/cm272-cm-272.html

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>  <Mol_ID> (499)
499

>  <Formula> (499)
C16H13N3

>  <MolWeight> (499)
247.29452

>  <Cat> (499)
S8909

>  <Name> (499)
UBCS039

>  <Synonyms> (499)
N/A

>  <Target> (499)
Sirtuin

>  <Form> (499)
Free Base

>  <CAS> (499)
358721-70-7

>  <URL> (499)
http://www.selleck.cn/products/ubcs039.html

$$$$

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   14.5582    5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2791    8.3970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0660    6.2946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2791    9.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7055    8.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    7.6919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    8.3970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3451    7.6919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5582    8.3970    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5582    9.7944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3451   10.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1255    9.7944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
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  3 17  1  0  0  0  0
 14 18  1  0  0  0  0
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  1 20  1  0  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  6  0  0  0
 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
 36 37  1  0  0  0  0
 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
 34 41  1  6  0  0  0
 42 27  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
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 47 42  1  0  0  0  0
 45 48  1  1  0  0  0
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 47 50  1  6  0  0  0
 46 51  1  6  0  0  0
M  END
>  <Mol_ID> (500)
500

>  <Formula> (500)
C33H40O18

>  <MolWeight> (500)
724.6599

>  <Cat> (500)
S9096

>  <Name> (500)
ligustroflavone

>  <Synonyms> (500)
Nuezhenoside

>  <Target> (500)
AMPK

>  <Form> (500)
Free Base

>  <CAS> (500)
260413-62-5

>  <URL> (500)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/06112513542D

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   10.5108    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 34  1  0  0  0  0
 16 37  1  0  0  0  0
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 41 40  1  0  0  0  0
 41 14  1  0  0  0  0
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 11 43  1  0  0  0  0
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  2 46  1  0  0  0  0
 46 45  1  0  0  0  0
 16 47  1  1  0  0  0
  1 48  2  0  0  0  0
  1 49  1  0  0  0  0
 50 49  1  1  0  0  0
 50 51  1  0  0  0  0
 51 52  1  6  0  0  0
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 53 55  1  0  0  0  0
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M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C42H66O14

>  <MolWeight> (501)
794.96504

>  <Cat> (501)
S9116

>  <Name> (501)
Chikusetsusaponin IVa

>  <Synonyms> (501)
Calenduloside F

>  <Target> (501)
AMPK,Immunology & Inflammation related

>  <Form> (501)
Free Base

>  <CAS> (501)
51415-02-2

>  <URL> (501)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
 13 15  1  0  0  0  0
 14 20  2  0  0  0  0
  5 10  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C15H16N6O3

>  <MolWeight> (502)
328.32594

>  <Cat> (502)
S6684

>  <Name> (502)
IOX4

>  <Synonyms> (502)
N/A

>  <Target> (502)
HIF

>  <Form> (502)
Free Base

>  <CAS> (502)
1154097-71-8

>  <URL> (502)
http://www.selleck.cn/products/iox4.html

$$$$

csChFnd80/06112513542D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    4.4441    5.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0749    3.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3411    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2938    5.7409    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
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  7 12  1  1  0  0  0
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  8 13  1  6  0  0  0
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M  END
>  <Mol_ID> (503)
503

>  <Formula> (503)
C9H12FN3O4

>  <MolWeight> (503)
245.2076832

>  <Cat> (503)
S2477

>  <Name> (503)
2'-Deoxy-5-Fluorocytidine

>  <Synonyms> (503)
5-fluoro-2(')-deoxycytidine, FCdR

>  <Target> (503)
DNA Methyltransferase

>  <Form> (503)
Free Base

>  <CAS> (503)
10356-76-0

>  <URL> (503)
http://www.selleckchem.com/products/2-feoxy-5-fluorocytidine.html

$$$$

csChFnd80/06112513542D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (504)
504

>  <Formula> (504)
C46H51F3N6O8S2

>  <MolWeight> (504)
937.0577496

>  <Cat> (504)
S8953

>  <Name> (504)
ASP4132

>  <Synonyms> (504)
N/A

>  <Target> (504)
AMPK

>  <Form> (504)
Free Base

>  <CAS> (504)
1640294-30-9

>  <URL> (504)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/06112513542D

 33 38  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (505)
505

>  <Formula> (505)
C26H23N5O2

>  <MolWeight> (505)
437.49312

>  <Cat> (505)
S8961

>  <Name> (505)
Alobresib (GS-5829)

>  <Synonyms> (505)
N/A

>  <Target> (505)
Akt,Apoptosis related,Epigenetic Reader Domain,ERK,Myc,NF-¦ÊB

>  <Form> (505)
Free Base

>  <CAS> (505)
1637771-14-2

>  <URL> (505)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/06112513542D

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>  <URL> (506)
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>  <Formula> (507)
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>  <Synonyms> (507)
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>  <Target> (507)
Pim

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1361951-15-6

>  <URL> (507)
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>  <Synonyms> (508)
N/A

>  <Target> (508)
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>  <Form> (508)
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>  <CAS> (508)
2171386-10-8

>  <URL> (508)
http://www.selleckchem.com/products/pk-287107.html

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csChFnd80/06112513542D

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>  <MolWeight> (509)
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>  <Cat> (509)
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>  <Target> (509)
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>  <Form> (509)
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>  <CAS> (509)
1624117-53-8

>  <URL> (509)
http://www.selleckchem.com/products/xy1.html

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>  <Target> (510)
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511

>  <Formula> (511)
C20H19ClN4

>  <MolWeight> (511)
350.84466

>  <Cat> (511)
S0435

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>  <Synonyms> (511)
N/A

>  <Target> (511)
MAT2A

>  <Form> (511)
Free Base

>  <CAS> (511)
72882-78-1

>  <URL> (511)
http://www.selleckchem.com/products/pf-9366.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (512)
512

>  <Formula> (512)
C18H11BrN2O2

>  <MolWeight> (512)
367.19614

>  <Cat> (512)
S1050

>  <Name> (512)
TCS PIM-1 1

>  <Synonyms> (512)
SC 204330

>  <Target> (512)
Pim

>  <Form> (512)
Free Base

>  <CAS> (512)
491871-58-0

>  <URL> (512)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (513)
513

>  <Formula> (513)
C20H23ClN4O4S

>  <MolWeight> (513)
450.93902

>  <Cat> (513)
S6722

>  <Name> (513)
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>  <Synonyms> (513)
SP-2577 mesylate

>  <Target> (513)
LSD1

>  <Form> (513)
Free Base

>  <CAS> (513)
1423715-37-0

>  <URL> (513)
http://www.selleckchem.com/products/seclidemstat.html

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csChFnd80/06112513542D

 20 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (514)
514

>  <Formula> (514)
C14H18BrN3O2

>  <MolWeight> (514)
340.21562

>  <Cat> (514)
S6833

>  <Name> (514)
BCI-121

>  <Synonyms> (514)
N/A

>  <Target> (514)
SMYD

>  <Form> (514)
Free Base

>  <CAS> (514)
432529-82-3

>  <URL> (514)
http://www.selleckchem.com/products/bcl-121.html

$$$$

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M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C30H28O8

>  <MolWeight> (515)
516.53852

>  <Cat> (515)
S7862

>  <Name> (515)
Rottlerin

>  <Synonyms> (515)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (515)
PKC

>  <Form> (515)
Free Base

>  <CAS> (515)
82-08-6

>  <URL> (515)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C17H18N4O4

>  <MolWeight> (516)
342.34922

>  <Cat> (516)
S8883

>  <Name> (516)
LLY-283

>  <Synonyms> (516)
N/A

>  <Target> (516)
PRMT

>  <Form> (516)
Free Base

>  <CAS> (516)
2040291-27-6

>  <URL> (516)
http://www.selleckchem.com/products/lly-283.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C49H60ClN9O8S2

>  <MolWeight> (517)
1002.6392

>  <Cat> (517)
S8889

>  <Name> (517)
MZ-1

>  <Synonyms> (517)
N/A

>  <Target> (517)
Epigenetic Reader Domain,PROTAC

>  <Form> (517)
Free Base

>  <CAS> (517)
1797406-69-9

>  <URL> (517)
http://www.selleckchem.com/products/mz-1.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (518)
518

>  <Formula> (518)
C20H22ClF3N2O3

>  <MolWeight> (518)
430.8484896

>  <Cat> (518)
S0022

>  <Name> (518)
YF-2

>  <Synonyms> (518)
N/A

>  <Target> (518)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (518)
free base

>  <CAS> (518)
1311423-89-8

>  <URL> (518)
http://www.selleckchem.com/products/yf-2.html

$$$$

csChFnd80/06112513542D

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  2 27  1  0  0  0  0
  2 35  1  0  0  0  0
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 21 25  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 33  1  0  0  0  0
 26 27  2  0  0  0  0
 26 31  1  0  0  0  0
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 28 37  2  0  0  0  0
 29 38  1  0  0  0  0
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 32 35  2  0  0  0  0
 32 42  1  0  0  0  0
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 35 44  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 41 45  2  0  0  0  0
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 45 47  1  0  0  0  0
 46 48  2  0  0  0  0
 47 49  2  0  0  0  0
 48 49  1  0  0  0  0
M  END
>  <Mol_ID> (519)
519

>  <Formula> (519)
C34H31ClN8O5S

>  <MolWeight> (519)
699.17854

>  <Cat> (519)
S0137

>  <Name> (519)
dBET57

>  <Synonyms> (519)
N/A

>  <Target> (519)
Epigenetic Reader Domain,PROTAC

>  <Form> (519)
free base

>  <CAS> (519)
1883863-52-2

>  <URL> (519)
http://www.selleckchem.com/products/dbet57.html

$$$$

csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3 15  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  2  0  0  0  0
  5 15  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (520)
520

>  <Formula> (520)
C17H13ClN4

>  <MolWeight> (520)
308.76492

>  <Cat> (520)
S0201

>  <Name> (520)
Z-JIB-04 (NSC 693627)

>  <Synonyms> (520)
JIB-04 Z-isomer, (Z)-JIB-04

>  <Target> (520)
Histone Demethylase,JMJD

>  <Form> (520)
free base

>  <CAS> (520)
199596-24-2

>  <URL> (520)
http://www.selleckchem.com/products/z-jib-04-nsc-693627.html

$$$$

csChFnd80/06112513542D

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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  1 13  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 16 17  1  0  0  0  0
 15 16  1  0  0  0  0
  1 14  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  5 20  1  0  0  0  0
 23 24  1  0  0  0  0
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 10 23  1  0  0  0  0
M  END
>  <Mol_ID> (521)
521

>  <Formula> (521)
C21H24N2O2

>  <MolWeight> (521)
336.42746

>  <Cat> (521)
S0507

>  <Name> (521)
CBL0137

>  <Synonyms> (521)
Curaxin-137, CBL-C137, CBLC137

>  <Target> (521)
NF-¦ÊB,p53

>  <Form> (521)
free base

>  <CAS> (521)
1197996-80-7

>  <URL> (521)
http://www.selleckchem.com/products/cbl-0137.html

$$$$

csChFnd80/06112513542D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C22H22F3N3O4

>  <MolWeight> (522)
449.4229896

>  <Cat> (522)
S0709

>  <Name> (522)
Tubastatin A TFA

>  <Synonyms> (522)
Tubastatin A trifluoroacetate salt

>  <Target> (522)
Apoptosis related,Autophagy,HDAC

>  <Form> (522)
trifluoroacetate

>  <CAS> (522)
1239262-52-2

>  <URL> (522)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    5.4124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.1124    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
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 15 17  1  0  0  0  0
 20 23  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C18H21N3OS

>  <MolWeight> (523)
327.44384

>  <Cat> (523)
S2176

>  <Name> (523)
Tenovin-3

>  <Synonyms> (523)
N/A

>  <Target> (523)
p53,Sirtuin

>  <Form> (523)
free base

>  <CAS> (523)
1011301-27-1

>  <URL> (523)
http://www.selleckchem.com/products/tenovin-3.html

$$$$

csChFnd80/06112513542D

 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
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    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> (524)
524

>  <Formula> (524)
C16H18O9

>  <MolWeight> (524)
354.30872

>  <Cat> (524)
S3262

>  <Name> (524)
Scopolin

>  <Synonyms> (524)
N/A

>  <Target> (524)
Sirtuin

>  <Form> (524)
free base

>  <CAS> (524)
531-44-2

>  <URL> (524)
http://www.selleckchem.com/products/scopolin.html

$$$$

csChFnd80/06112513542D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C27H30O15

>  <MolWeight> (525)
594.5181

>  <Cat> (525)
S3267

>  <Name> (525)
Kaempferol-3-O-rutinoside

>  <Synonyms> (525)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (525)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (525)
free base

>  <CAS> (525)
17650-84-9

>  <URL> (525)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/06112513542D

 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
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 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> (526)
526

>  <Formula> (526)
C30H16O8

>  <MolWeight> (526)
504.44324

>  <Cat> (526)
S3273

>  <Name> (526)
Hypericin

>  <Synonyms> (526)
Hyp, HY

>  <Target> (526)
Hydroxylase,MAO,P450 (e.g. CYP17),PKC,Reverse Transcriptase,Telomerase

>  <Form> (526)
free base

>  <CAS> (526)
548-04-9

>  <URL> (526)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/06112513542D

 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
    6.1541    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C19H12O7

>  <MolWeight> (527)
352.29438

>  <Cat> (527)
S3289

>  <Name> (527)
Daphnoretin

>  <Synonyms> (527)
Dephnoretin, Thymelol

>  <Target> (527)
Akt,Apoptosis related,PKC

>  <Form> (527)
free base

>  <CAS> (527)
2034-69-7

>  <URL> (527)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C16H12O6

>  <MolWeight> (528)
300.26288

>  <Cat> (528)
S3296

>  <Name> (528)
Hispidulin

>  <Synonyms> (528)
Dinatin

>  <Target> (528)
Akt,AMPK,Apoptosis related,Mitochondrial Metabolism,PI3K,Pim

>  <Form> (528)
free base

>  <CAS> (528)
1447-88-7

>  <URL> (528)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/06112513542D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.7079    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3049    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
    8.4913    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    6.0622    0.0000    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  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
  6 11  1  0  0  0  0
  3 12  1  0  0  0  0
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C21H22O6

>  <MolWeight> (529)
370.39578

>  <Cat> (529)
S3302

>  <Name> (529)
¦Â,¦Â-dimethyl-acryl-alkannin

>  <Synonyms> (529)
AN-I, ¦Â,¦Â-Dimethylacrylalkannin

>  <Target> (529)
Others

>  <Form> (529)
free base

>  <CAS> (529)
34539-65-6

>  <URL> (529)
http://www.selleckchem.com/products/b-b-dimethyl-acryl-alkannin.html

$$$$

csChFnd80/06112513542D

 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> (530)
530

>  <Formula> (530)
C26H29N5O4S

>  <MolWeight> (530)
507.60456

>  <Cat> (530)
S6880

>  <Name> (530)
SRT-1460

>  <Synonyms> (530)
N/A

>  <Target> (530)
Sirtuin

>  <Form> (530)
free base

>  <CAS> (530)
925432-73-1

>  <URL> (530)
http://www.selleckchem.com/products/srt-1460.html

$$$$

csChFnd80/06112513542D

 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
    0.0000    3.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.1885    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7477    6.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (531)
531

>  <Formula> (531)
C20H11N5OS

>  <MolWeight> (531)
369.39924

>  <Cat> (531)
S6882

>  <Name> (531)
HI-TOPK-032

>  <Synonyms> (531)
N/A

>  <Target> (531)
Apoptosis related,Caspase,ERK,p53,PARP,TOPK

>  <Form> (531)
free base

>  <CAS> (531)
487020-03-1

>  <URL> (531)
http://www.selleckchem.com/products/hi-topk-032.html

$$$$

csChFnd80/06112513542D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C6H6N4

>  <MolWeight> (532)
134.13864

>  <Cat> (532)
S6886

>  <Name> (532)
1-Aminobenzotriazole

>  <Synonyms> (532)
ABT, 3-Aminobenzotriazole, 1-Benzotriazolylamine, NSC 114498, NSC 656987

>  <Target> (532)
Histone Acetyltransferase,P450 (e.g. CYP17),Transferase

>  <Form> (532)
free base

>  <CAS> (532)
1614-12-6

>  <URL> (532)
http://www.selleckchem.com/products/1-aminobenzotriazole.html

$$$$

csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    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
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    6.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    7.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 17 25  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 24  1  0  0  0  0
 15 16  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C15H13F3N6O2

>  <MolWeight> (533)
366.2979296

>  <Cat> (533)
S6893

>  <Name> (533)
PIN1 inhibitor API-1

>  <Synonyms> (533)
N/A

>  <Target> (533)
DNA/RNA Synthesis

>  <Form> (533)
free base

>  <CAS> (533)
680622-70-2

>  <URL> (533)
http://www.selleckchem.com/products/pin1-inhibitor-api-1.html

$$$$

csChFnd80/06112513542D

 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
    4.8560    0.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2755    6.2028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4932    6.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    4.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8194    2.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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> (534)
534

>  <Formula> (534)
C27H32ClN5O3

>  <MolWeight> (534)
510.02768

>  <Cat> (534)
S7803

>  <Name> (534)
GSK484 HCl

>  <Synonyms> (534)
GSK484 hydrochloride

>  <Target> (534)
PAD

>  <Form> (534)
hydrochloride

>  <CAS> (534)
1652591-81-5

>  <URL> (534)
http://www.selleckchem.com/products/gsk484-hcl.html

$$$$

csChFnd80/06112513542D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.8953    4.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2877    3.9556    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8572    5.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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   18.5105    5.0882    0.0000 S   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
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  6  8  1  0  0  0  0
  2  6  1  1  0  0  0
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 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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>  <Mol_ID> (535)
535

>  <Formula> (535)
C27H33N5O4S

>  <MolWeight> (535)
523.64702

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S8449

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VH298

>  <Synonyms> (535)
N/A

>  <Target> (535)
E3 Ligase ,HIF,PROTAC

>  <Form> (535)
free base

>  <CAS> (535)
2097381-85-4

>  <URL> (535)
http://www.selleckchem.com/products/vh298.html

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>  <Mol_ID> (536)
536

>  <Formula> (536)
C25H27N5O2

>  <MolWeight> (536)
429.51418

>  <Cat> (536)
S8574

>  <Name> (536)
BI 894999

>  <Synonyms> (536)
N/A

>  <Target> (536)
Epigenetic Reader Domain

>  <Form> (536)
free base

>  <CAS> (536)
1660117-38-3

>  <URL> (536)
http://www.selleckchem.com/products/bi894999.html

$$$$

csChFnd80/06112513542D

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537

>  <Formula> (537)
C18H15Cl2N3O3

>  <MolWeight> (537)
392.236

>  <Cat> (537)
S8837

>  <Name> (537)
FB23-2

>  <Synonyms> (537)
N/A

>  <Target> (537)
FTO

>  <Form> (537)
free base

>  <CAS> (537)
2243736-45-8

>  <URL> (537)
http://www.selleckchem.com/products/fb23-2.html

$$$$

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>  <Mol_ID> (538)
538

>  <Formula> (538)
C42H54N8O3

>  <MolWeight> (538)
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>  <Cat> (538)
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>  <Name> (538)
MS1943

>  <Synonyms> (538)
N/A

>  <Target> (538)
Histone Methyltransferase

>  <Form> (538)
free base

>  <CAS> (538)
2225938-17-8

>  <URL> (538)
http://www.selleckchem.com/products/ms1943.html

$$$$

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   14.7348    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7348    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9472    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9841    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  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  2  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  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
 21 24  1  6  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 14  1  0  0  0  0
M  END
>  <Mol_ID> (539)
539

>  <Formula> (539)
C19H23FN2O3S

>  <MolWeight> (539)
378.4609232

>  <Cat> (539)
S8992

>  <Name> (539)
RBN012759

>  <Synonyms> (539)
N/A

>  <Target> (539)
PARP

>  <Form> (539)
free base

>  <CAS> (539)
2360851-29-0

>  <URL> (539)
http://www.selleckchem.com/products/rbn012759.html

$$$$

csChFnd80/06112513542D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6333    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4208    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    3.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2706    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6954    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4830    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    2.3822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1163    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9059    3.7799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3320    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3952    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2104    2.3869    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0857    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  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
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
M  END
>  <Mol_ID> (540)
540

>  <Formula> (540)
C13H16F3N5O

>  <MolWeight> (540)
315.2942496

>  <Cat> (540)
S9604

>  <Name> (540)
IM156

>  <Synonyms> (540)
HL156A

>  <Target> (540)
AMPK,Apoptosis related,OXPHOS

>  <Form> (540)
free base

>  <CAS> (540)
1422365-93-2

>  <URL> (540)
http://www.selleckchem.com/products/im156.html

$$$$

csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.5717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    5.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    6.8369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8267    5.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    3.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8400    1.6199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2072    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5267    4.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9267    4.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6267    5.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9267    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5267    6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6391    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1424    2.3679    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5743    1.0387    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
  2 10  1  0  0  0  0
  8 11  1  0  0  0  0
  7 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
 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 11  1  0  0  0  0
 10 21  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  2  0  0  0  0
 25 10  1  0  0  0  0
 23 26  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (541)
541

>  <Formula> (541)
C22H24F3N3O3

>  <MolWeight> (541)
435.4394696

>  <Cat> (541)
S9648

>  <Name> (541)
NEO2734

>  <Synonyms> (541)
EP31670

>  <Target> (541)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (541)
free base

>  <CAS> (541)
2081072-29-7

>  <URL> (541)
http://www.selleckchem.com/products/neo2734.html

$$$$

csChFnd80/06112513542D

 34 38  0  0  0  0  0  0  0  0999 V2000
    4.8115    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0239    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6612    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6612    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4488    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    9.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875   10.0688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    8.8564    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3243    7.8160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2901    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4983    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7066    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9148    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9148    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3397    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3397    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1272    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.4983    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  2  0  0  0  0
 16 18  1  0  0  0  0
 13 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 13  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  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
 29 33  1  0  0  0  0
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (542)
542

>  <Formula> (542)
C25H20FN7O

>  <MolWeight> (542)
453.4710032

>  <Cat> (542)
S9658

>  <Name> (542)
SP-96

>  <Synonyms> (542)
N/A

>  <Target> (542)
Aurora Kinase

>  <Form> (542)
free base

>  <CAS> (542)
2682114-54-9

>  <URL> (542)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/06112513542D

 35 42  0  0  0  0  0  0  0  0999 V2000
    4.3424    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3424    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7673    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.2190    7.8101    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
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (543)
543

>  <Formula> (543)
C28H26N4O3

>  <MolWeight> (543)
466.53104

>  <Cat> (543)
S1421

>  <Name> (543)
Staurosporine (AM-2282)

>  <Synonyms> (543)
Antibiotic AM-2282, STS

>  <Target> (543)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,CaMK,PKA,PKC,PKG,S6 Kinase

>  <Form> (543)
Free Base

>  <CAS> (543)
62996-74-1

>  <URL> (543)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/06112513542D

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    1.2685    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
 11 17  1  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (544)
544

>  <Formula> (544)
C15H12N2O2

>  <MolWeight> (544)
252.26798

>  <Cat> (544)
S0519

>  <Name> (544)
BYK204165

>  <Synonyms> (544)
N/A

>  <Target> (544)
PARP

>  <Form> (544)
Free Base

>  <CAS> (544)
1104546-89-5

>  <URL> (544)
https://www.selleckchem.com/products/byk204165.html

$$$$

csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  9  1  0  0  0  0
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  7 14  1  0  0  0  0
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  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C17H15N5

>  <MolWeight> (545)
289.3345

>  <Cat> (545)
S0540

>  <Name> (545)
BAY-474

>  <Synonyms> (545)
N/A

>  <Target> (545)
c-Met

>  <Form> (545)
Free Base

>  <CAS> (545)
1033767-86-0

>  <URL> (545)
https://www.selleckchem.com/products/bay-474.html

$$$$

csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   14.5197    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0987    0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1536    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  4 18  2  0  0  0  0
  5 22  1  0  0  0  0
  5 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 25  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 23  1  0  0  0  0
 10 20  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
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 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C20H18ClN3O6

>  <MolWeight> (546)
431.82642

>  <Cat> (546)
S0729

>  <Name> (546)
TP0463518

>  <Synonyms> (546)
N/A

>  <Target> (546)
HIF

>  <Form> (546)
Free Base

>  <CAS> (546)
1558021-37-6

>  <URL> (546)
https://www.selleckchem.com/products/tp0463518.html

$$$$

csChFnd80/06112513542D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  1 22  2  0  0  0  0
  2  4  1  0  0  0  0
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  4  5  2  0  0  0  0
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  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C20H16N2O

>  <MolWeight> (547)
300.35384

>  <Cat> (547)
S0732

>  <Name> (547)
GeA-69

>  <Synonyms> (547)
N/A

>  <Target> (547)
PARP

>  <Form> (547)
Free Base

>  <CAS> (547)
2143475-98-1

>  <URL> (547)
https://www.selleckchem.com/products/gea-69.html

$$$$

csChFnd80/06112513542D

 80 89  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C51H82O21

>  <MolWeight> (548)
1031.18418

>  <Cat> (548)
S9156

>  <Name> (548)
Chonglou Saponin VII

>  <Synonyms> (548)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (548)
GSK-3

>  <Form> (548)
Free Base

>  <CAS> (548)
68124-04-9

>  <URL> (548)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C42H70O12

>  <MolWeight> (549)
766.998

>  <Cat> (549)
S9210

>  <Name> (549)
Ginsenoside Rk1

>  <Synonyms> (549)
N/A

>  <Target> (549)
Others

>  <Form> (549)
Free Base

>  <CAS> (549)
494753-69-4

>  <URL> (549)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C47H76O16

>  <MolWeight> (550)
897.09674

>  <Cat> (550)
S9262

>  <Name> (550)
Raddeanin A

>  <Synonyms> (550)
Raddeanin R3, NSC382873

>  <Target> (550)
HDAC

>  <Form> (550)
Free Base

>  <CAS> (550)
89412-79-3

>  <URL> (550)
https://www.selleckchem.com/products/raddeanin-a.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C19H20O5

>  <MolWeight> (551)
328.3591

>  <Cat> (551)
S9264

>  <Name> (551)
Decursin

>  <Synonyms> (551)
N/A

>  <Target> (551)
Immunology & Inflammation related

>  <Form> (551)
Free Base

>  <CAS> (551)
5928-25-6

>  <URL> (551)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/06112513542D

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  3  7  1  0  0  0  0
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 28 39  1  0  0  0  0
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 80 67  1  0  0  0  0
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 28 40  1  0  0  0  0
 67 84  1  6  0  0  0
  4  5  1  0  0  0  0
 69 85  1  6  0  0  0
 40 41  1  0  0  0  0
 70 86  1  1  0  0  0
 86 62  1  0  0  0  0
  5  2  1  0  0  0  0
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 39 42  1  0  0  0  0
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 46 44  1  6  0  0  0
 72 92  1  0  0  0  0
  2 92  1  6  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C57H92O28

>  <MolWeight> (552)
1225.32358

>  <Cat> (552)
S9304

>  <Name> (552)
Platycodin D

>  <Synonyms> (552)
N/A

>  <Target> (552)
Immunology & Inflammation related

>  <Form> (552)
Free Base

>  <CAS> (552)
58479-68-8

>  <URL> (552)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1 22  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 15  1  0  0  0  0
  4 24  1  0  0  0  0
  7 18  1  0  0  0  0
  7 25  1  0  0  0  0
  8 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 13 16  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C16H15BrN2O5S

>  <MolWeight> (553)
427.2697

>  <Cat> (553)
S0344

>  <Name> (553)
Y06036

>  <Synonyms> (553)
N/A

>  <Target> (553)
Epigenetic Reader Domain

>  <Form> (553)
Free Base

>  <CAS> (553)
1832671-96-1

>  <URL> (553)
https://www.selleckchem.com/products/y06036.html

$$$$

csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  7 24  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 16 19  2  0  0  0  0
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 18 26  1  0  0  0  0
 20 22  1  0  0  0  0
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 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C17H14Cl2N6O

>  <MolWeight> (554)
389.23866

>  <Cat> (554)
S0384

>  <Name> (554)
RO495

>  <Synonyms> (554)
CS-2667

>  <Target> (554)
JAK

>  <Form> (554)
Free Base

>  <CAS> (554)
1258296-60-4

>  <URL> (554)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 N   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
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 16 20  2  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
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C16H10F2N6O

>  <MolWeight> (555)
340.2870064

>  <Cat> (555)
S0411

>  <Name> (555)
BAM 15

>  <Synonyms> (555)
N/A

>  <Target> (555)
AMPK,Apoptosis related,Mitochondrial Metabolism

>  <Form> (555)
Free Base

>  <CAS> (555)
210302-17-3

>  <URL> (555)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/06112513542D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    0.0000    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C16H12ClNO

>  <MolWeight> (556)
269.72558

>  <Cat> (556)
S0780

>  <Name> (556)
Oncrasin-1

>  <Synonyms> (556)
N/A

>  <Target> (556)
DNA/RNA Synthesis,PKC

>  <Form> (556)
Free Base

>  <CAS> (556)
75629-57-1

>  <URL> (556)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    3.8274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469    7.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    5.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    4.9150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    5.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200    4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    4.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C16H11Cl2N3O2S

>  <MolWeight> (557)
380.24844

>  <Cat> (557)
S0795

>  <Name> (557)
O-304

>  <Synonyms> (557)
O-304X

>  <Target> (557)
AMPK

>  <Form> (557)
Free Base

>  <CAS> (557)
1261289-04-6

>  <URL> (557)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C18H16O5

>  <MolWeight> (558)
312.31664

>  <Cat> (558)
S0913

>  <Name> (558)
4',5,7-Trimethoxyflavone

>  <Synonyms> (558)
5,?7,?4'-?Trimethoxyflavone, TMF

>  <Target> (558)
Apoptosis related,Caspase,PARP

>  <Form> (558)
Free Base

>  <CAS> (558)
5631-70-9

>  <URL> (558)
https://www.selleckchem.com/products/4-5-7-trimethoxyflavone.html

$$$$

csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.9064    4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    4.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    3.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    1.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4605    4.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523    4.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8128    3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7536    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2404    4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085    4.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5493    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0359    6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C18H19N3O2S

>  <MolWeight> (559)
341.42736

>  <Cat> (559)
S1027

>  <Name> (559)
FL-411

>  <Synonyms> (559)
BRD4-IN-1

>  <Target> (559)
Autophagy,Epigenetic Reader Domain

>  <Form> (559)
Free Base

>  <CAS> (559)
2118944-88-8

>  <URL> (559)
https://www.selleckchem.com/products/fl-411.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    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
    6.0621   11.9000    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
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    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
    8.4871   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C20H16Br2O3

>  <MolWeight> (560)
464.14724

>  <Cat> (560)
S1161

>  <Name> (560)
Histone?Acetyltransferase?Inhibitor?II

>  <Synonyms> (560)
HAT Inhibitor II

>  <Target> (560)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (560)
Free Base

>  <CAS> (560)
932749-62-7

>  <URL> (560)
https://www.selleckchem.com/products/histone-acetyltransferase-inhibitor-ii.html

$$$$

csChFnd80/06112513542D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6089    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    7.7544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555   10.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    8.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    6.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   13.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   12.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    6.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C14H14ClN3S

>  <MolWeight> (561)
291.79906

>  <Cat> (561)
S1242

>  <Name> (561)
CPTH2

>  <Synonyms> (561)
N/A

>  <Target> (561)
Apoptosis related,Histone Acetyltransferase

>  <Form> (561)
Free Base

>  <CAS> (561)
357649-93-5

>  <URL> (561)
https://www.selleckchem.com/products/cpth2.html

$$$$

csChFnd80/06112513542D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   14.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C22H31N9O

>  <MolWeight> (562)
437.54124

>  <Cat> (562)
S1272

>  <Name> (562)
XL228

>  <Synonyms> (562)
N/A

>  <Target> (562)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (562)
Free Base

>  <CAS> (562)
898280-07-4

>  <URL> (562)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/06112513542D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    4.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C29H30O13

>  <MolWeight> (563)
586.5407

>  <Cat> (563)
S1273

>  <Name> (563)
Amarogentin

>  <Synonyms> (563)
AG

>  <Target> (563)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (563)
Free Base

>  <CAS> (563)
21018-84-8

>  <URL> (563)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/06112513542D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.3371    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5495    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2045    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4873    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
 11  5  1  6  0  0  0
  5 21  1  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C22H33N3O4

>  <MolWeight> (564)
403.51512

>  <Cat> (564)
S1313

>  <Name> (564)
GSK3117391

>  <Synonyms> (564)
GSK3117391A, HDAC-IN-3

>  <Target> (564)
HDAC

>  <Form> (564)
Free Base

>  <CAS> (564)
1018673-42-1

>  <URL> (564)
https://www.selleckchem.com/products/gsk3117391.html

$$$$

csChFnd80/06112513542D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C13H8O3

>  <MolWeight> (565)
212.20082

>  <Cat> (565)
S1321

>  <Name> (565)
Urolithin B

>  <Synonyms> (565)
N/A

>  <Target> (565)
Akt,AMPK,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB

>  <Form> (565)
Free Base

>  <CAS> (565)
1139-83-9

>  <URL> (565)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/06112513542D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C16H12O3

>  <MolWeight> (566)
252.26468

>  <Cat> (566)
S1323

>  <Name> (566)
7-Methoxyisoflavone

>  <Synonyms> (566)
MIF

>  <Target> (566)
AMPK

>  <Form> (566)
Free Base

>  <CAS> (566)
1621-56-3

>  <URL> (566)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9367    3.2137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    0.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4103    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C18H16O3S

>  <MolWeight> (567)
312.38284

>  <Cat> (567)
S2937

>  <Name> (567)
SYP-5

>  <Synonyms> (567)
N/A

>  <Target> (567)
HIF

>  <Form> (567)
Free Base

>  <CAS> (567)
1384268-04-5

>  <URL> (567)
https://www.selleckchem.com/products/syp-5.html

$$$$

csChFnd80/06112513542D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C30H36Br2N4O2

>  <MolWeight> (568)
644.44044

>  <Cat> (568)
S2942

>  <Name> (568)
EB-3D

>  <Synonyms> (568)
N/A

>  <Target> (568)
AMPK,Apoptosis related,Choline kinase

>  <Form> (568)
Free Base

>  <CAS> (568)
1839150-63-8

>  <URL> (568)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/06112513542D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C13H17Cl2N3O2S

>  <MolWeight> (569)
350.26398

>  <Cat> (569)
S2964

>  <Name> (569)
HA-100 dihydrochloride

>  <Synonyms> (569)
N/A

>  <Target> (569)
MLCK,PKA,PKC,PKG

>  <Form> (569)
Dihydrochloride

>  <CAS> (569)
210297-47-5

>  <URL> (569)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/06112513542D

 18 17  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C16H30O2

>  <MolWeight> (570)
254.4082

>  <Cat> (570)
S3341

>  <Name> (570)
Palmitoleic acid

>  <Synonyms> (570)
POA, Palmitoleate

>  <Target> (570)
AMPK

>  <Form> (570)
Free Base

>  <CAS> (570)
373-49-9

>  <URL> (570)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.1550    5.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4912    6.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    4.5246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3391    6.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6999    5.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3784    4.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5299    3.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1690    8.1185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7168    8.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9106    6.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733    2.7002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7000    2.2594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9298    3.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9260    7.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C14H20N6O5S

>  <MolWeight> (571)
384.4108

>  <Cat> (571)
S7868

>  <Name> (571)
S-Adenosyl-L-homocysteine (SAH)

>  <Synonyms> (571)
S-Adenosylhomocysteine, AdoHcy, Formycinylhomocysteine

>  <Target> (571)
Histone Methyltransferase

>  <Form> (571)
Free Base

>  <CAS> (571)
979-92-0

>  <URL> (571)
https://www.selleckchem.com/products/s-adenosyl-l-homocysteine.html

$$$$

csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    3.6262    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2056    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6261    7.6927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  1  0  0  0  0
  7 20  3  0  0  0  0
 16 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  6  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C17H10F5NO4S

>  <MolWeight> (572)
419.322616

>  <Cat> (572)
S8351

>  <Name> (572)
PT2399

>  <Synonyms> (572)
N/A

>  <Target> (572)
HIF

>  <Form> (572)
Free Base

>  <CAS> (572)
1672662-14-4

>  <URL> (572)
https://www.selleckchem.com/products/pt2399.html

$$$$

csChFnd80/06112513542D

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  1 11  2  0  0  0  0
  5 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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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 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 20  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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 32 27  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C20H23F6N7O3

>  <MolWeight> (573)
523.4321392

>  <Cat> (573)
S8993

>  <Name> (573)
Atamparib (RBN-2397)

>  <Synonyms> (573)
N/A

>  <Target> (573)
PARP

>  <Form> (573)
Free Base

>  <CAS> (573)
2381037-82-5

>  <URL> (573)
https://www.selleckchem.com/products/rbn-2397.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 14  1  0  0  0  0
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M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C17H16N4O4

>  <MolWeight> (574)
340.33334

>  <Cat> (574)
S9656

>  <Name> (574)
Enarodustat (JTZ-951)

>  <Synonyms> (574)
N/A

>  <Target> (574)
HIF

>  <Form> (574)
Free Base

>  <CAS> (574)
1262132-81-9

>  <URL> (574)
https://www.selleckchem.com/products/enarodustat.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C16H16N2O6

>  <MolWeight> (575)
332.30804

>  <Cat> (575)
S9699

>  <Name> (575)
Desidustat

>  <Synonyms> (575)
ZYAN1, ZYAN1-1001

>  <Target> (575)
HIF

>  <Form> (575)
Free Base

>  <CAS> (575)
1616690-16-4

>  <URL> (575)
https://www.selleckchem.com/products/desidustat.html

$$$$

csChFnd80/06112513542D

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 13 14  1  0  0  0  0
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 30 22  2  0  0  0  0
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M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C22H16F4N6O2

>  <MolWeight> (576)
472.3950528

>  <Cat> (576)
S9712

>  <Name> (576)
Fluzoparib (SHR-3162)

>  <Synonyms> (576)
HS10160

>  <Target> (576)
PARP

>  <Form> (576)
Free Base

>  <CAS> (576)
1358715-18-0

>  <URL> (576)
https://www.selleckchem.com/products/fluzoparib.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (577)
577

>  <Formula> (577)
C18H19N3O3

>  <MolWeight> (577)
325.36176

>  <Cat> (577)
S9685

>  <Name> (577)
GSK620

>  <Synonyms> (577)
N/A

>  <Target> (577)
Epigenetic Reader Domain

>  <Form> (577)
Free Base

>  <CAS> (577)
2088410-46-0

>  <URL> (577)
http://www.selleckchem.com/products/gsk620.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C30H32F2N4O3

>  <MolWeight> (578)
534.5968864

>  <Cat> (578)
S9667

>  <Name> (578)
Inobrodib (CCS-1477)

>  <Synonyms> (578)
CBP-IN-1, CBP/p300-IN-4

>  <Target> (578)
Androgen Receptor,Epigenetic Reader Domain,Myc

>  <Form> (578)
Free Base

>  <CAS> (578)
2222941-37-7

>  <URL> (578)
http://www.selleckchem.com/products/ccs-1477-cbp-in-1-.html

$$$$

csChFnd80/06112513542D

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   18.2800    2.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    2.8176    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
  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  1  0  0  0  0
 12  7  2  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  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  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 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
 32 35  1  0  0  0  0
 33 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
 39 40  1  0  0  0  0
 40 37  1  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C29H29N7O3S

>  <MolWeight> (579)
555.65066

>  <Cat> (579)
S8948

>  <Name> (579)
SRX3207

>  <Synonyms> (579)
N/A

>  <Target> (579)
Epigenetic Reader Domain,PI3K,Syk

>  <Form> (579)
Free Base

>  <CAS> (579)
2254693-15-5

>  <URL> (579)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    6.0496    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.7976    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  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  3 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
  9 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  9  1  0  0  0  0
  8 29  1  1  0  0  0
 21 30  1  1  0  0  0
M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C23H27FN2O4

>  <MolWeight> (580)
414.4698832

>  <Cat> (580)
S9684

>  <Name> (580)
GSK046

>  <Synonyms> (580)
iBET-BD2

>  <Target> (580)
Epigenetic Reader Domain

>  <Form> (580)
Free Base

>  <CAS> (580)
2474876-09-8

>  <URL> (580)
http://www.selleckchem.com/products/gsk046.html

$$$$

csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0371    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545    4.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0794    0.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3623    5.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1437    0.3036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0620    2.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7152    2.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5069    3.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7152    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7472    5.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2589    1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735    4.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9557    0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9606    2.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0736    1.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3662    0.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3465    2.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4539    1.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5612    0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 14  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (581)
581

>  <Formula> (581)
C19H18FN3O

>  <MolWeight> (581)
323.3641232

>  <Cat> (581)
S4948

>  <Name> (581)
Rucaparib

>  <Synonyms> (581)
Rubraca, AG014699, PF01367338

>  <Target> (581)
PARP

>  <Form> (581)
Free Base

>  <CAS> (581)
283173-50-2

>  <URL> (581)
http://www.selleckchem.com/products/rucaparib.html

$$$$

csChFnd80/06112513542D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   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
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
    6.0621    4.9000    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
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 17  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (582)
582

>  <Formula> (582)
C14H12O3

>  <MolWeight> (582)
228.24328

>  <Cat> (582)
S3168

>  <Name> (582)
cis-Resveratrol

>  <Synonyms> (582)
cis-RESV, cRes, (Z)-Resveratrol

>  <Target> (582)
Apoptosis related,COX,DNA/RNA Synthesis,I¦ÊB/IKK,Lipoxygenase,Nrf2,Sirtuin

>  <Form> (582)
Free Base

>  <CAS> (582)
61434-67-1

>  <URL> (582)
http://www.selleckchem.com/products/cis-resveratrol.html

$$$$

csChFnd80/06112513542D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.7497    4.7640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9668    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7668    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 11 15  2  0  0  0  0
 12 13  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (583)
583

>  <Formula> (583)
C14H12N2

>  <MolWeight> (583)
208.25848

>  <Cat> (583)
S3589

>  <Name> (583)
Bendazol

>  <Synonyms> (583)
2-Benzylbenzimidazole, Dibazol, Dibazole, Bendazole, Tromasedan

>  <Target> (583)
HIF,NOS

>  <Form> (583)
Free Base

>  <CAS> (583)
621-72-7

>  <URL> (583)
http://www.selleckchem.com/products/bendazol.html

$$$$

csChFnd80/06112513542D

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    3.6336    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    4.1934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6336    4.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6842    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    4.1982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    0.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5011    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4758    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6336    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2126    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (584)
584

>  <Formula> (584)
C16H13Cl2N3O2

>  <MolWeight> (584)
350.19932

>  <Cat> (584)
S0374

>  <Name> (584)
GDC046

>  <Synonyms> (584)
N/A

>  <Target> (584)
JAK

>  <Form> (584)
Free Base

>  <CAS> (584)
1258292-64-6

>  <URL> (584)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.1789    8.2621    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C17H19FN4O2

>  <MolWeight> (585)
330.3567632

>  <Cat> (585)
S0864

>  <Name> (585)
ACY-775

>  <Synonyms> (585)
N/A

>  <Target> (585)
HDAC

>  <Form> (585)
Free Base

>  <CAS> (585)
1375466-18-4

>  <URL> (585)
http://www.selleckchem.com/products/acy-775.html

$$$$

csChFnd80/06112513542D

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 22 24  1  0  0  0  0
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 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C20H16ClN3O2

>  <MolWeight> (586)
365.81294

>  <Cat> (586)
S7853

>  <Name> (586)
Pelabresib (CPI-0610)

>  <Synonyms> (586)
N/A

>  <Target> (586)
Epigenetic Reader Domain,NSD

>  <Form> (586)
Free Base

>  <CAS> (586)
1380087-89-7

>  <URL> (586)
http://www.selleckchem.com/products/cpi-0610.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (587)
587

>  <Formula> (587)
C32H34F4N6Na2O11S2

>  <MolWeight> (587)
864.7491128

>  <Cat> (587)
S5608

>  <Name> (587)
Pantoprazole sodium hydrate

>  <Synonyms> (587)
Protonix, BY1023 sodium hydrate, SKF96022 sodium hydrate

>  <Target> (587)
ATPase,Proton Pump

>  <Form> (587)
Sodium hydrate

>  <CAS> (587)
164579-32-2

>  <URL> (587)
http://www.selleckchem.com/products/pantoprazole-sodium-hydrate.html

$$$$

csChFnd80/06112513542D

 38 39  0  0  0  0  0  0  0  0999 V2000
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   12.8244    4.8129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    7.2378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.8254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119   10.7378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    8.3129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8534    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.5254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.6254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0534    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 38  1  0  0  0  0
  2 36  1  0  0  0  0
  3 36  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 37  1  0  0  0  0
  7 37  1  0  0  0  0
  8 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  2  0  0  0  0
 14 23  2  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 15 27  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  2  0  0  0  0
 17 26  2  0  0  0  0
 17 30  1  0  0  0  0
 18 32  2  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 24 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 33  2  0  0  0  0
 29 32  1  0  0  0  0
 30 34  2  0  0  0  0
 30 36  1  0  0  0  0
 31 35  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C20H21F6N7O4S

>  <MolWeight> (588)
569.4806592

>  <Cat> (588)
S4929

>  <Name> (588)
Enasidenib Mesylate

>  <Synonyms> (588)
Idhifa, AG-221 mesylate

>  <Target> (588)
Dehydrogenase

>  <Form> (588)
Mesylate

>  <CAS> (588)
1650550-25-6

>  <URL> (588)
http://www.selleckchem.com/products/enasidenib-mesylate.html

$$$$

csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.3076    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    7.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2821    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0709    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 17  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 21  2  0  0  0  0
  6 19  1  0  0  0  0
  6 21  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 16 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C21H21NO4S

>  <MolWeight> (589)
383.46074

>  <Cat> (589)
S3573

>  <Name> (589)
Trotabresib

>  <Synonyms> (589)
BMS-986378,CC-90010

>  <Target> (589)
Epigenetic Reader Domain

>  <Form> (589)
Free Base

>  <CAS> (589)
1706738-98-8

>  <URL> (589)
http://www.selleckchem.com/products/cc-90010.html

$$$$

csChFnd80/06112513542D

 12 12  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    1.2124    0.0000    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
    7.2746    0.7000    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    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  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C10H12O2

>  <MolWeight> (590)
164.20108

>  <Cat> (590)
S3592

>  <Name> (590)
4-Phenylbutyric acid (4-PBA)

>  <Synonyms> (590)
Benzenebutyric acid

>  <Target> (590)
Autophagy,HDAC

>  <Form> (590)
Free Base

>  <CAS> (590)
1821-12-1

>  <URL> (590)
http://www.selleckchem.com/products/4-phenylbutyric-acid-4-pba-.html

$$$$

csChFnd80/06112513542D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3612    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537    9.8051    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0198    2.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7136    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4720   14.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734   10.0731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1691   14.9978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   10.0078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3612    4.0569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6923    6.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7236    5.4092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4394    3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9606    4.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6821    4.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    3.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9989    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8387    8.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4134    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755   12.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7935   11.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0231   13.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842   11.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8146   10.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9845   12.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7768   14.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2890   11.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1516   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0934    9.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2791   11.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3454   10.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5877   10.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5901   12.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4890   11.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   10.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1901   12.4265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   11.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 18  1  0  0  0  0
  2 32  1  0  0  0  0
  3 17  2  0  0  0  0
  7 29  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 27  1  0  0  0  0
  9 29  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 12  1  1  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 30  2  0  0  0  0
 26 29  1  0  0  0  0
 26 31  1  0  0  0  0
 28 33  2  0  0  0  0
 28 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 33 36  1  0  0  0  0
 34 37  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C29H34FN3O5S

>  <MolWeight> (591)
555.6607632

>  <Cat> (591)
S5195

>  <Name> (591)
Rucaparib Camsylate

>  <Synonyms> (591)
Rubraca, AG014699 Camsylate, PF01367338 Camsylate

>  <Target> (591)
PARP

>  <Form> (591)
Camsylate

>  <CAS> (591)
1859053-21-6

>  <URL> (591)
http://www.selleckchem.com/products/rucaparib-camsylate.html

$$$$

csChFnd80/06112513542D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C4H11N5

>  <MolWeight> (592)
129.16364

>  <Cat> (592)
S5958

>  <Name> (592)
Metformin

>  <Synonyms> (592)
1,1-Dimethylbiguanide

>  <Target> (592)
AMPK,Apoptosis related,JNK,Mitophagy,p38 MAPK

>  <Form> (592)
Free Base

>  <CAS> (592)
657-24-9

>  <URL> (592)
http://www.selleckchem.com/products/metformin.html

$$$$

csChFnd80/06112513542D

 19 22  0  0  0  0  0  0  0  0999 V2000
    3.7497    2.5266    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
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  4 13  1  0  0  0  0
  5 13  2  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
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 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C14H13N3OS

>  <MolWeight> (593)
271.33752

>  <Cat> (593)
S0981

>  <Name> (593)
BD750

>  <Synonyms> (593)
N/A

>  <Target> (593)
JAK,STAT

>  <Form> (593)
Free Base

>  <CAS> (593)
892686-59-8

>  <URL> (593)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/06112513542D

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 30 32  1  0  0  0  0
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M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C28H25ClF3N7O2

>  <MolWeight> (594)
583.9920096

>  <Cat> (594)
S4895

>  <Name> (594)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (594)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (594)
AMPK,Autophagy,Bcr-Abl

>  <Form> (594)
Hydrochloride monohydrate

>  <CAS> (594)
923288-90-8

>  <URL> (594)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C32H47FN6O4S

>  <MolWeight> (595)
630.8167832

>  <Cat> (595)
S8996

>  <Name> (595)
Revumenib

>  <Synonyms> (595)
SNDX-5613

>  <Target> (595)
MLL

>  <Form> (595)
Free Base

>  <CAS> (595)
2169919-21-3

>  <URL> (595)
http://www.selleckchem.com/products/sndx-5613.html

$$$$

csChFnd80/06112513542D

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   10.6214    6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667    8.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
  8 11  2  0  0  0  0
 26  4  1  0  0  0  0
 12 29  1  0  0  0  0
 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
 28 20  1  0  0  0  0
 15 21  1  0  0  0  0
 27 33  1  0  0  0  0
  7  8  1  0  0  0  0
 25 22  1  0  0  0  0
 32 10  1  0  0  0  0
  3  7  1  0  0  0  0
  2 14  1  0  0  0  0
  1  6  2  0  0  0  0
 25  5  1  0  0  0  0
  9 14  1  0  0  0  0
 20 30  1  0  0  0  0
 35  4  2  0  0  0  0
 34 27  1  0  0  0  0
 10 24  1  0  0  0  0
 21 32  2  0  0  0  0
 15  3  2  0  0  0  0
 26 23  2  0  0  0  0
 33 31  1  0  0  0  0
  3 26  1  0  0  0  0
 14 30  2  0  0  0  0
 13 23  1  0  0  0  0
 10 20  2  0  0  0  0
 12  6  1  0  0  0  0
  7  9  2  0  0  0  0
 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
  6 24  1  0  0  0  0
 16  1  1  0  0  0  0
 31 15  1  0  0  0  0
 27 37  1  0  0  0  0
 16 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C30H26O10

>  <MolWeight> (596)
546.52144

>  <Cat> (596)
E0010

>  <Name> (596)
Hypocrellin A

>  <Synonyms> (596)
N/A

>  <Target> (596)
Antiviral,Bacterial,PKC

>  <Form> (596)
Free Base

>  <CAS> (596)
77029-83-5

>  <URL> (596)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/06112513542D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    3.9869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1282    3.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165    2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    1.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    6.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5419    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3916    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    4.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
  2 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  1  0  0  0
M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C15H16O3

>  <MolWeight> (597)
244.28574

>  <Cat> (597)
E0011

>  <Name> (597)
Linderalactone

>  <Synonyms> (597)
N/A

>  <Target> (597)
Bcl-2,JAK,STAT

>  <Form> (597)
Free Base

>  <CAS> (597)
728-61-0

>  <URL> (597)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/06112513542D

 60 68  0  0  0  0  0  0  0  0999 V2000
    5.0631   13.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331   11.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1434   10.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1268    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4629   12.6721    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2850   12.0824    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8461   12.4557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3564   13.4722    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3502   11.1496    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.7872   10.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.3012    9.4725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4453   10.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1866   13.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577   14.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8998    9.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2141   11.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7981    9.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7610   10.3894    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1595   14.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982   13.0306    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0349   11.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   13.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9765    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7640    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7640    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5516    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7640    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5013    4.3876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9013    4.3876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7640    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9013    6.8125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6013    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5516    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3392    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3392    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6013    8.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21  1  1  1  0  0  0
 28  1  1  6  0  0  0
  2 28  1  0  0  0  0
  2 42  1  0  0  0  0
 32  3  1  1  0  0  0
 43  3  1  1  0  0  0
 39  4  1  1  0  0  0
  5 43  1  0  0  0  0
  5 47  1  0  0  0  0
 45  6  1  6  0  0  0
 50  6  1  6  0  0  0
 46  7  1  1  0  0  0
 51  7  1  1  0  0  0
 48  8  1  1  0  0  0
  9 50  1  0  0  0  0
  9 55  1  0  0  0  0
 10 51  1  0  0  0  0
 10 58  1  0  0  0  0
 52 11  1  1  0  0  0
 53 12  1  1  0  0  0
 54 13  1  6  0  0  0
 56 14  1  6  0  0  0
 57 15  1  1  0  0  0
 59 16  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 24  1  0  0  0  0
 17 29  1  1  0  0  0
 18 20  1  0  0  0  0
 18 23  1  1  0  0  0
 19 21  1  0  0  0  0
 19 25  1  1  0  0  0
 20 22  1  0  0  0  0
 20 30  1  6  0  0  0
 21 23  1  0  0  0  0
 22 26  1  1  0  0  0
 22 27  1  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 33  1  6  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 27 36  1  1  0  0  0
 28 35  1  0  0  0  0
 30 34  1  0  0  0  0
 31 34  2  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 35 40  1  0  0  0  0
 37 39  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  6  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 48  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  1  0  0  0
 50 52  1  0  0  0  0
 51 54  1  0  0  0  0
 52 53  1  0  0  0  0
 53 56  1  0  0  0  0
 54 57  1  0  0  0  0
 55 56  1  0  0  0  0
 55 60  1  1  0  0  0
 57 59  1  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (598)
598

>  <Formula> (598)
C44H70O16

>  <MolWeight> (598)
855.017

>  <Cat> (598)
E0022

>  <Name> (598)
Ophiopogonin D

>  <Synonyms> (598)
OJV-VI, Deacetylophiopogonin C

>  <Target> (598)
AMPK,Immunology & Inflammation related,NF-¦ÊB

>  <Form> (598)
Free Base

>  <CAS> (598)
945619-74-9

>  <URL> (598)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/06112513542D

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0613    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    0.7010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.0006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C5H7N3O2

>  <MolWeight> (599)
141.12798

>  <Cat> (599)
E0027

>  <Name> (599)
5-Hydroxymethylcytosine

>  <Synonyms> (599)
5hmC

>  <Target> (599)
Others

>  <Form> (599)
Free Base

>  <CAS> (599)
1123-95-1

>  <URL> (599)
http://www.selleckchem.com/products/5-hydroxymethylcytosine.html

$$$$

csChFnd80/06112513542D

 25 29  0  0  0  0  0  0  0  0999 V2000
    1.9637    4.9939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6534    6.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9662    1.6354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1885    6.1228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5168    4.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480    3.4628    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
    7.9721    3.8918    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
    8.7911    2.7564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3637    4.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5192    5.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6444    2.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5459    5.1688    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
   10.1840    2.8978    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
    9.9388    5.3103    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
   10.7578    4.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  2  0  0  0  0
  3 12  1  0  0  0  0
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  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 10  1  0  0  0  0
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 18 22  1  0  0  0  0
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M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C20H13N3O2

>  <MolWeight> (600)
327.33612

>  <Cat> (600)
S0754

>  <Name> (600)
Bisindolylmaleimide IV

>  <Synonyms> (600)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (600)
CMV,PKA,PKC

>  <Form> (600)
Free Base

>  <CAS> (600)
119139-23-0

>  <URL> (600)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/06112513542D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   10.9255    2.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1388    2.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1388    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3501    0.0040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4915    2.7925    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5622    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5622    2.1039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7753    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9879    0.7036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1920    4.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 16  2  0  0  0  0
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M  END
>  <Mol_ID> (601)
601

>  <Formula> (601)
C16H14Cl2N2O4S

>  <MolWeight> (601)
401.26436

>  <Cat> (601)
S0855

>  <Name> (601)
TC-E 5003

>  <Synonyms> (601)
NSC 30176

>  <Target> (601)
AP-1,PRMT

>  <Form> (601)
Free Base

>  <CAS> (601)
17328-16-4

>  <URL> (601)
http://www.selleckchem.com/products/tc-e-5003.html

$$$$

csChFnd80/06112513542D

 15 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2 14  2  0  0  0  0
  3 15  1  0  0  0  0
  4 15  2  0  0  0  0
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  5 14  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 13  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C10H19NO4

>  <MolWeight> (602)
217.26216

>  <Cat> (602)
S1803

>  <Name> (602)
5-Boc-amino-pentanoic acid

>  <Synonyms> (602)
Boc-5-aminovaleric acid, Boc-NH-C4-acid, Boc-5-Ava-OH

>  <Target> (602)
PROTAC Linker

>  <Form> (602)
Free Base

>  <CAS> (602)
27219-07-4

>  <URL> (602)
http://www.selleckchem.com/products/boc-nh-c4-acid.html

$$$$

csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4200    7.4873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221    6.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    8.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    6.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7489    2.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    6.7899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    5.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262    2.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9038    2.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1104    4.7038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9530    4.7096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7489    1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4517    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5394    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 27  1  0  0  0  0
  9 26  1  0  0  0  0
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 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 22  1  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 30  2  0  0  0  0
 22 31  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C20H27N7O3S

>  <MolWeight> (603)
445.53848

>  <Cat> (603)
S3566

>  <Name> (603)
Cerdulatinib (PRT062070)

>  <Synonyms> (603)
PRT2070

>  <Target> (603)
JAK,Syk

>  <Form> (603)
Free Base

>  <CAS> (603)
1198300-79-6

>  <URL> (603)
http://www.selleckchem.com/products/cerdulatinib.html

$$$$

csChFnd80/06112513542D

 35 38  0  0  0  0  0  0  0  0999 V2000
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  1 35  1  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C22H23N5O8

>  <MolWeight> (604)
485.44672

>  <Cat> (604)
S4460

>  <Name> (604)
IMM-H007

>  <Synonyms> (604)
N/A

>  <Target> (604)
AMPK,JNK,NF-¦ÊB

>  <Form> (604)
Free Base

>  <CAS> (604)
1221412-23-2

>  <URL> (604)
http://www.selleckchem.com/products/imm-h007.html

$$$$

csChFnd80/06112513542D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    3.3145    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5269    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2593    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9747    4.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C16H23Cl2N3O2S

>  <MolWeight> (605)
392.34372

>  <Cat> (605)
S6214

>  <Name> (605)
H-1152 dihydrochloride

>  <Synonyms> (605)
H-1152 2HCl

>  <Target> (605)
Aurora Kinase,CaMK,PKA,PKC,PKG,ROCK

>  <Form> (605)
Dihydrochloride

>  <CAS> (605)
871543-07-6

>  <URL> (605)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0392    6.3543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    6.3543    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641   11.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516    9.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    7.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9283    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    7.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  2  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 25  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C18H14Cl2N2O3

>  <MolWeight> (606)
377.22136

>  <Cat> (606)
S6291

>  <Name> (606)
FB23

>  <Synonyms> (606)
N/A

>  <Target> (606)
FTO

>  <Form> (606)
Free Base

>  <CAS> (606)
2243736-35-6

>  <URL> (606)
http://www.selleckchem.com/products/fb23.html

$$$$

csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.7404   10.4604    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    2.2447    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5856    6.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    6.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8701    2.3480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5701    5.4149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0907    1.9469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.7220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4431    4.3203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2972    4.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9108    4.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    4.6318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649    3.1613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0605    0.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5626    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1906    5.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2207    5.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    6.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3514    7.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5592    8.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7439    9.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3478    9.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 11  1  0  0  0  0
  2 16  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 17  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  1  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 22  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C19H17ClN4O2S

>  <MolWeight> (607)
400.88188

>  <Cat> (607)
S6993

>  <Name> (607)
(+)-JQ1 carboxylic acid

>  <Synonyms> (607)
(+)-JQ1-COOH

>  <Target> (607)
BET

>  <Form> (607)
Free Base

>  <CAS> (607)
202592-23-2

>  <URL> (607)
http://www.selleckchem.com/products/jq-1-carboxylic-acid.html

$$$$

csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.7024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8514    3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8313    3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7049    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
  5  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  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
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  2  0  0  0  0
  8 27  2  0  0  0  0
 11 28  2  0  0  0  0
M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C20H17FN2O4S

>  <MolWeight> (608)
400.4233832

>  <Cat> (608)
S9805

>  <Name> (608)
WM-3835

>  <Synonyms> (608)
N/A

>  <Target> (608)
Apoptosis related,Histone Acetyltransferase

>  <Form> (608)
Free Base

>  <CAS> (608)
2229025-70-9

>  <URL> (608)
http://www.selleckchem.com/products/wm-3835.html

$$$$

csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.6997    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.2001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2748    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7002    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    8.4001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3002    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    7.0002    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
  2  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  5  6  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  9 12  1  0  0  0  0
  3  5  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
 16 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 24 25  1  0  0  0  0
 16 24  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C24H24F3NO2

>  <MolWeight> (609)
415.4480696

>  <Cat> (609)
S9860

>  <Name> (609)
BC1618

>  <Synonyms> (609)
N/A

>  <Target> (609)
AMPK,Autophagy

>  <Form> (609)
Free Base

>  <CAS> (609)
2222094-18-8

>  <URL> (609)
http://www.selleckchem.com/products/bc1618.html

$$$$

csChFnd80/06112513542D

 16 17  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
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 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C11H10N4O

>  <MolWeight> (610)
214.2233

>  <Cat> (610)
S9882

>  <Name> (610)
PFI-90

>  <Synonyms> (610)
N/A

>  <Target> (610)
Histone Demethylase

>  <Form> (610)
Free Base

>  <CAS> (610)
53995-62-3

>  <URL> (610)
http://www.selleckchem.com/products/pfi-90.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C24H20ClN3O4

>  <MolWeight> (611)
449.8863

>  <Cat> (611)
E1031

>  <Name> (611)
MK-8722

>  <Synonyms> (611)
N/A

>  <Target> (611)
AMPK

>  <Form> (611)
Free Base

>  <CAS> (611)
1394371-71-1

>  <URL> (611)
http://www.selleckchem.com/products/mk-8722.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (612)
612

>  <Formula> (612)
C23H25ClN4O2S

>  <MolWeight> (612)
456.9882

>  <Cat> (612)
S2965

>  <Name> (612)
(R)-(-)-JQ1 Enantiomer

>  <Synonyms> (612)
N/A

>  <Target> (612)
Others

>  <Form> (612)
Free Base

>  <CAS> (612)
1268524-71-5

>  <URL> (612)
http://www.selleckchem.com/products/r-jq1-enantiomer.html

$$$$

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>  <Mol_ID> (613)
613

>  <Formula> (613)
C16H14N4O

>  <MolWeight> (613)
278.30856

>  <Cat> (613)
S6389

>  <Name> (613)
CPI-455

>  <Synonyms> (613)
N/A

>  <Target> (613)
Histone Demethylase

>  <Form> (613)
Free Base

>  <CAS> (613)
1628208-23-0

>  <URL> (613)
http://www.selleckchem.com/products/cpi-455.html

$$$$

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>  <Formula> (614)
C20H17Cl2F3N4O4

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S9876

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>  <Target> (614)
FTO

>  <Form> (614)
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>  <CAS> (614)
2243944-92-3 (free base)

>  <URL> (614)
http://www.selleckchem.com/products/dac51.html

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>  <Mol_ID> (615)
615

>  <Formula> (615)
C34H46N6O6S

>  <MolWeight> (615)
666.83064

>  <Cat> (615)
S9903

>  <Name> (615)
NRD167

>  <Synonyms> (615)
N/A

>  <Target> (615)
Sirtuin

>  <Form> (615)
Free Base

>  <CAS> (615)
2166487-23-4

>  <URL> (615)
http://www.selleckchem.com/products/nrd167.html

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M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C9H6O4

>  <MolWeight> (616)
178.14154

>  <Cat> (616)
E0023

>  <Name> (616)
5,7-Dihydroxychromone

>  <Synonyms> (616)
DHC

>  <Target> (616)
Nrf2

>  <Form> (616)
Free Base

>  <CAS> (616)
31721-94-5

>  <URL> (616)
http://www.selleckchem.com/products/5-7-dihydroxychromone.html

$$$$

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M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C27H25FN6O

>  <MolWeight> (617)
468.5254032

>  <Cat> (617)
S9833

>  <Name> (617)
BAY-3827

>  <Target> (617)
AMPK

>  <Form> (617)
free base

>  <CAS> (617)
2377576-35-5

>  <URL> (617)
http://www.selleckchem.com/products/bay-3827.html

$$$$

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>  <Mol_ID> (618)
618

>  <Formula> (618)
C23H23FN4O2

>  <MolWeight> (618)
406.4527232

>  <Cat> (618)
S9893

>  <Name> (618)
Venadaparib(IDX-1197)

>  <Target> (618)
PARP

>  <Form> (618)
free base

>  <CAS> (618)
1681017-83-3

>  <URL> (618)
http://www.selleckchem.com/products/venadaparib-idx-1197.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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   10.9118    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    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
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  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
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  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
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C16H14N6O2

>  <MolWeight> (619)
322.32136

>  <Cat> (619)
S9934

>  <Name> (619)
KA2507

>  <Target> (619)
HDAC

>  <Form> (619)
free base

>  <CAS> (619)
1636894-46-6

>  <URL> (619)
http://www.selleckchem.com/products/ka2507.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.9107    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1250    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4903    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3395    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3395    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6337    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  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
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  3  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
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 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  3  0  0  0  0
M  END
>  <Mol_ID> (620)
620

>  <Formula> (620)
C22H16N2O

>  <MolWeight> (620)
324.37524

>  <Cat> (620)
E0068

>  <Name> (620)
NiCur

>  <Synonyms> (620)
N/A

>  <Target> (620)
Histone Acetyltransferase,p53

>  <Form> (620)
free base

>  <CAS> (620)
63476-70-0

>  <URL> (620)
http://www.selleckchem.com/products/nicur.html

$$$$

csChFnd80/06112513542D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 33  2  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
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  4 20  1  0  0  0  0
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  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 24  3  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 24  1  0  0  0  0
 17 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
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  2  0  0  0  0
 29 34  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (621)
621

>  <Formula> (621)
C24H28N8O2

>  <MolWeight> (621)
460.53152

>  <Cat> (621)
S0871

>  <Name> (621)
Gusacitinib (ASN-002)

>  <Synonyms> (621)
N/A

>  <Target> (621)
JAK,Syk

>  <Form> (621)
free base

>  <CAS> (621)
1425381-60-7

>  <URL> (621)
http://www.selleckchem.com/products/gusacitinib.html

$$$$

csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
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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
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  1  6  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 12 17  2  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 15 19  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
  7  9  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (622)
622

>  <Formula> (622)
C17H20N4O2

>  <MolWeight> (622)
312.3663

>  <Cat> (622)
S0888

>  <Name> (622)
Rsva 405

>  <Synonyms> (622)
N/A

>  <Target> (622)
AMPK

>  <Form> (622)
free base

>  <CAS> (622)
140405-36-3

>  <URL> (622)
http://www.selleckchem.com/products/rsva-405.html

$$$$

csChFnd80/06112513542D

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 13 15  2  0  0  0  0
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 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (623)
623

>  <Formula> (623)
C15H8Cl2FN3O

>  <MolWeight> (623)
336.1479232

>  <Cat> (623)
S1349

>  <Name> (623)
SC99

>  <Synonyms> (623)
N/A

>  <Target> (623)
JAK,STAT

>  <Form> (623)
free base

>  <CAS> (623)
882290-02-0

>  <URL> (623)
http://www.selleckchem.com/products/sc99.html

$$$$

csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.6488    8.6053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 11  6  1  0  0  0  0
 13  7  1  0  0  0  0
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 18 19  1  0  0  0  0
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 17 18  1  0  0  0  0
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 25 26  2  0  0  0  0
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 28 29  1  0  0  0  0
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 27 30  1  0  0  0  0
  5 24  1  0  0  0  0
M  END
>  <Mol_ID> (624)
624

>  <Formula> (624)
C22H20ClN5OS

>  <MolWeight> (624)
437.9451

>  <Cat> (624)
S2941

>  <Name> (624)
(+)-JQ1 PA

>  <Synonyms> (624)
N/A

>  <Target> (624)
Epigenetic Reader Domain

>  <Form> (624)
free base

>  <CAS> (624)
2115701-93-2

>  <URL> (624)
http://www.selleckchem.com/products/jq1-pa.html

$$$$

csChFnd80/06112513542D

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.2141    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0018    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7894    4.8999    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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  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  3  8  2  0  0  0  0
  5  9  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
 11 16  2  0  0  0  0
 10 11  1  0  0  0  0
  2 10  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
  6 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 32  1  0  0  0  0
 28 33  1  0  0  0  0
 24 25  1  0  0  0  0
  4 24  2  0  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C27H24N2O4

>  <MolWeight> (625)
440.49046

>  <Cat> (625)
S2977

>  <Name> (625)
EML 425

>  <Synonyms> (625)
N/A

>  <Target> (625)
Histone Acetyltransferase

>  <Form> (625)
free base

>  <CAS> (625)
1675821-32-5

>  <URL> (625)
http://www.selleckchem.com/products/eml-425.html

$$$$

csChFnd80/06112513542D

 29 33  0  0  0  0  0  0  0  0999 V2000
   12.1279    4.1992    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
  2  4  1  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
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
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 10 15  1  0  0  0  0
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 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C25H25N3O

>  <MolWeight> (626)
383.4855

>  <Cat> (626)
S3543

>  <Name> (626)
DC-05

>  <Target> (626)
DNA Methyltransferase

>  <Form> (626)
free base

>  <CAS> (626)
890643-16-0

>  <URL> (626)
http://www.selleckchem.com/products/dc-05.html

$$$$

csChFnd80/06112513542D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.1825    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
 29 30  1  0  0  0  0
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 29 32  1  0  0  0  0
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M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C22H28N4O6

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2093388-52-2

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N/A

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PARP

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free base

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284028-90-6

>  <URL> (628)
http://www.selleckchem.com/products/dr2313.html

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csChFnd80/06112513542D

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629

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C23H24N4O

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FLT3,JAK

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free base

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937270-47-8

>  <URL> (629)
http://www.selleckchem.com/products/sb1317-tg02.html

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csChFnd80/06112513542D

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AKI603

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Aurora Kinase

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>  <CAS> (630)
1432515-73-5

>  <URL> (630)
http://www.selleckchem.com/products/aki603.html

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>  <Name> (631)
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331770-21-9

>  <URL> (631)
http://www.selleckchem.com/products/aurora-kinase-inhibitor-ii.html

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M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C19H21BO7

>  <MolWeight> (632)
372.17684

>  <Cat> (632)
E0394

>  <Name> (632)
YK 3-237

>  <Synonyms> (632)
N/A

>  <Target> (632)
p53,Sirtuin

>  <Form> (632)
free base

>  <CAS> (632)
1215281-19-8

>  <URL> (632)
http://www.selleckchem.com/products/yk-3-237.html

$$$$

csChFnd80/06112513542D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  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
 21 22  1  0  0  0  0
 18 21  1  0  0  0  0
 12 15  1  0  0  0  0
 11 12  1  0  0  0  0
  4 10  2  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C15H15NO5S

>  <MolWeight> (633)
321.3483

>  <Cat> (633)
E0405

>  <Name> (633)
L002 (NSC764414)

>  <Target> (633)
Transferase

>  <Form> (633)
free base

>  <CAS> (633)
321695-57-2

>  <URL> (633)
http://www.selleckchem.com/products/l002-nsc764414.html

$$$$

csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
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M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C19H25N5O3

>  <MolWeight> (634)
371.4335

>  <Cat> (634)
E0449

>  <Name> (634)
SGC-SMARCA-BRDVIII

>  <Synonyms> (634)
N/A

>  <Target> (634)
Epigenetic Reader Domain

>  <Form> (634)
free base

>  <CAS> (634)
1997319-84-2

>  <URL> (634)
http://www.selleckchem.com/products/sgc-smarca-brdviii.html

$$$$

csChFnd80/06112513542D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
  5 16  1  0  0  0  0
 18 19  1  0  0  0  0
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M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C13H14N2O4

>  <MolWeight> (635)
262.26126

>  <Cat> (635)
E0536

>  <Name> (635)
WAY-309060

>  <Target> (635)
Others

>  <Form> (635)
free base

>  <CAS> (635)
309951-18-6

>  <URL> (635)
http://www.selleckchem.com/products/way-309060.html

$$$$

csChFnd80/06112513542D

 15 14  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   15
(E)
M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C10H10O4R

>  <MolWeight> (636)
194.184

>  <Cat> (636)
E0653

>  <Name> (636)
Trans-ferulic acid

>  <Target> (636)
AMPK

>  <Form> (636)
free base

>  <CAS> (636)
537-98-4

>  <URL> (636)
http://www.selleckchem.com/products/trans-ferulic-acid.html

$$$$

csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C16H12N4O3S

>  <MolWeight> (637)
340.35648

>  <Cat> (637)
E0781

>  <Name> (637)
BAZ1A-IN-1

>  <Target> (637)
Epigenetic Reader Domain

>  <Form> (637)
free base

>  <CAS> (637)
941521-45-5

>  <URL> (637)
http://www.selleckchem.com/products/baz1a-in-1.html

$$$$

csChFnd80/06112513542D

 27 29  0  0  0  0  0  0  0  0999 V2000
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638

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357.48798

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E0786

>  <Name> (638)
N-Desmethyltamoxifen

>  <Target> (638)
Glucosylceramide Synthase,PKC

>  <Form> (638)
free base

>  <CAS> (638)
31750-48-8

>  <URL> (638)
http://www.selleckchem.com/products/n-desmethyltamoxifen.html

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  3  4  1  0  0  0  0
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 27 28  1  0  0  0  0
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639

>  <Formula> (639)
C22H19F2NO3

>  <MolWeight> (639)
383.3879664

>  <Cat> (639)
E0793

>  <Name> (639)
G5-7

>  <Target> (639)
JAK

>  <Form> (639)
free base

>  <CAS> (639)
939681-36-4

>  <URL> (639)
http://www.selleckchem.com/products/g5-7.html

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 20 21  0  0  0  0  0  0  0  0999 V2000
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640

>  <Formula> (640)
C13H8Cl4N2O

>  <MolWeight> (640)
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free base

>  <CAS> (640)
73439-19-7

>  <URL> (640)
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csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
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641

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>  <MolWeight> (641)
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HDAC

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free base

>  <CAS> (641)
934828-12-3

>  <URL> (641)
http://www.selleckchem.com/products/cxd101.html

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NSD

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free base

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2561494-77-5

>  <URL> (642)
http://www.selleckchem.com/products/unc6934.html

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643

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C22H21N3O3

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E1095

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ODM-207

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Epigenetic Reader Domain

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free base

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1801503-93-4

>  <URL> (643)
http://www.selleckchem.com/products/odm-207.html

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644

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C16H13ClF3NO2

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E1107

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CTB

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Histone Acetyltransferase

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free base

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451491-47-7

>  <URL> (644)
http://www.selleckchem.com/products/ctb.html

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csChFnd80/06112513542D

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645

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C16H16N6

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Haspin Kinase

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1333377-65-3

>  <URL> (645)
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SIRT7 inhibitor 97491

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Sirtuin

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free base

>  <CAS> (646)
1807758-81-1

>  <URL> (646)
http://www.selleckchem.com/products/sirt7-inhibitor-97491.html

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 20 28  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
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 25 27  1  0  0  0  0
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 31 33  1  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (647)
647

>  <Formula> (647)
C24H30N6O6S2

>  <MolWeight> (647)
562.6616

>  <Cat> (647)
E1178

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ATPase

>  <Form> (647)
free base

>  <CAS> (647)
2671128-05-3

>  <URL> (647)
http://www.selleckchem.com/products/fhd-286.html

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csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   18.1863    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 31  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 31  2  0  0  0  0
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M  END
>  <Mol_ID> (648)
648

>  <Formula> (648)
C21H22F2N6O2

>  <MolWeight> (648)
428.4351864

>  <Cat> (648)
E2147

>  <Name> (648)
AZD-9574

>  <Synonyms> (648)
N/A

>  <Target> (648)
PARP

>  <Form> (648)
free base

>  <CAS> (648)
2756333-39-6

>  <URL> (648)
http://www.selleckchem.com/products/azd-9574.html

$$$$

csChFnd80/06112513542D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  3  0  0  0  0
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 10 11  2  0  0  0  0
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 17  9  2  0  0  0  0
  5 13  1  0  0  0  0
M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C13H8N4

>  <MolWeight> (649)
220.22942

>  <Cat> (649)
E2168

>  <Name> (649)
PHD-1-IN-1

>  <Target> (649)
HIF

>  <Form> (649)
free base

>  <CAS> (649)
2009343-14-8

>  <URL> (649)
http://www.selleckchem.com/products/phd-1-in-1.html

$$$$

csChFnd80/06112513542D

 28 29  0  0  0  0  0  0  0  0999 V2000
   14.3003    3.9526    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C25H28ClNO

>  <MolWeight> (650)
393.94892

>  <Cat> (650)
E2368

>  <Name> (650)
N-Desmethyltamoxifen hydrochloride

>  <Synonyms> (650)
N-Desmethyl tamoxifen HCl

>  <Target> (650)
PKC

>  <Form> (650)
hydrochloride

>  <CAS> (650)
15917-65-4

>  <URL> (650)
http://www.selleckchem.com/products/n-desmethyltamoxifen-hydrochloride.html

$$$$

csChFnd80/06112513542D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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  4 10  2  0  0  0  0
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M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C12H14Cl2N2O2S

>  <MolWeight> (651)
321.22276

>  <Cat> (651)
E2506

>  <Name> (651)
A-3 hydrochloride

>  <Target> (651)
Casein Kinase,MLCK,PKA,PKC

>  <Form> (651)
hydrochloride

>  <CAS> (651)
78957-85-4

>  <URL> (651)
http://www.selleckchem.com/products/a-3-hydrochloride.html

$$$$

csChFnd80/06112513542D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C16H13FO4

>  <MolWeight> (652)
288.2704232

>  <Cat> (652)
E2510

>  <Name> (652)
WAY-301398

>  <Synonyms> (652)
6-methoxynaphthalene

>  <Target> (652)
PKC

>  <Form> (652)
free base

>  <CAS> (652)
312607-68-4

>  <URL> (652)
http://www.selleckchem.com/products/way-301398.html

$$$$

csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2123    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.1001    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
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6991    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6991    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3363    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7611    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1859    2.7999    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
  1  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 18 19  1  0  0  0  0
 12 18  1  0  0  0  0
  8 14  1  0  0  0  0
  5  6  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C18H18ClN5O

>  <MolWeight> (653)
355.82142

>  <Cat> (653)
E2642

>  <Name> (653)
CGP60474

>  <Target> (653)
CDK

>  <Form> (653)
free base

>  <CAS> (653)
164658-13-3

>  <URL> (653)
http://www.selleckchem.com/products/cgp60474.html

$$$$

csChFnd80/06112513542D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  1  0  0  0  0
 11 14  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C13H15N3O2S

>  <MolWeight> (654)
277.3421

>  <Cat> (654)
E2646

>  <Name> (654)
HA-100

>  <Target> (654)
PKG

>  <Form> (654)
free base

>  <CAS> (654)
84468-24-6

>  <URL> (654)
http://www.selleckchem.com/products/ha-100-free-base.html

$$$$

csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4249    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2744    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
  1  6  1  0  0  0  0
  3  7  1  1  0  0  0
  4  8  1  6  0  0  0
  9 10  1  0  0  0  0
  2  9  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 18 19  1  0  0  0  0
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 17 20  1  6  0  0  0
 15 21  1  6  0  0  0
 16 22  1  1  0  0  0
 11 14  1  0  0  0  0
  6 11  1  6  0  0  0
  5 23  1  1  0  0  0
M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C12H24N2O9

>  <MolWeight> (655)
340.32696

>  <Cat> (655)
E2661

>  <Name> (655)
Chitosan oligosaccharide

>  <Synonyms> (655)
COS

>  <Target> (655)
AMPK,NF-¦ÊB,p38 MAPK

>  <Form> (655)
free base

>  <CAS> (655)
148411-57-8

>  <URL> (655)
http://www.selleckchem.com/products/chitosan-oligosaccharide.html

$$$$

csChFnd80/06112513542D

 61 61  0  0  0  0  0  0  0  0999 V2000
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   12.3374    1.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1158   13.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042   13.0340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905   15.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   13.8569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2622   11.8952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115   15.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   14.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   13.6035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6325   18.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1873   12.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 14  1  1  0  0  0
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 33 32  1  0  0  0  0
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 30 34  2  0  0  0  0
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 57 61  1  1  0  0  0
 54 58  2  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C37H65N9O13

>  <MolWeight> (656)
843.9645

>  <Cat> (656)
P1160

>  <Name> (656)
Epsilon-V1-2

>  <Synonyms> (656)
¦Å-V1-2

>  <Target> (656)
PKC

>  <Form> (656)
free base

>  <CAS> (656)
182683-50-7

>  <URL> (656)
http://www.selleckchem.com/products/epsilon-v1-2.html

$$$$

csChFnd80/06112513542D

 25 26  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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  1 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C20H25N3O2

>  <MolWeight> (657)
339.4314

>  <Cat> (657)
S6738

>  <Name> (657)
TC-H 106

>  <Synonyms> (657)
Pimelic Diphenylamide 106

>  <Target> (657)
HDAC

>  <Form> (657)
free base

>  <CAS> (657)
937039-45-7

>  <URL> (657)
http://www.selleckchem.com/products/tc-h106.html

$$$$

csChFnd80/06112513542D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C19H14F2N6O

>  <MolWeight> (658)
380.3508664

>  <Cat> (658)
S7048

>  <Name> (658)
Talazoparib (BMN 673)

>  <Synonyms> (658)
LT-673

>  <Target> (658)
PARP

>  <Form> (658)
free base

>  <CAS> (658)
1207456-01-6

>  <URL> (658)
http://www.selleckchem.com/products/bmn-673.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C30H42N8O3

>  <MolWeight> (659)
562.70628

>  <Cat> (659)
S7062

>  <Name> (659)
Pinometostat (EPZ5676)

>  <Synonyms> (659)
N/A

>  <Target> (659)
DOT1,Histone Methyltransferase

>  <Form> (659)
free base

>  <CAS> (659)
1380288-87-8

>  <URL> (659)
http://www.selleckchem.com/products/epz-5676.html

$$$$

csChFnd80/06112513542D

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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 29  1  0  0  0  0
  2 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 25 38  1  0  0  0  0
 38 39  3  0  0  0  0
 23 40  1  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C28H27F3N8S

>  <MolWeight> (660)
564.6277896

>  <Cat> (660)
S7817

>  <Name> (660)
MI-503

>  <Synonyms> (660)
N/A

>  <Target> (660)
Histone Methyltransferase,MLL

>  <Form> (660)
free base

>  <CAS> (660)
1857417-13-0

>  <URL> (660)
http://www.selleckchem.com/products/mi-503.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C46H47ClN8O9S

>  <MolWeight> (661)
923.43158

>  <Cat> (661)
S8297

>  <Name> (661)
ARV-825

>  <Synonyms> (661)
N/A

>  <Target> (661)
Epigenetic Reader Domain,PROTAC

>  <Form> (661)
free base

>  <CAS> (661)
1818885-28-7

>  <URL> (661)
http://www.selleckchem.com/products/arv-825.html

$$$$

csChFnd80/06112513542D

 49 54  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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 41 36  1  0  0  0  0
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 44 45  2  0  0  0  0
 45 40  1  0  0  0  0
 44 46  1  0  0  0  0
 37 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C36H41N7O6

>  <MolWeight> (662)
667.75404

>  <Cat> (662)
S8344

>  <Name> (662)
AZD-5153 6-hydroxy-2-naphthoic acid

>  <Synonyms> (662)
AZD-5153 HNT salt

>  <Target> (662)
Epigenetic Reader Domain,NSD

>  <Form> (662)
free base

>  <CAS> (662)
1869912-40-2

>  <URL> (662)
http://www.selleckchem.com/products/azd5153-6-hydroxy-2-naphthoic-acid.html

$$$$

csChFnd80/06112513542D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    5.7791    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6375    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1746    6.5734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  4 23  1  0  0  0  0
  5 17  2  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7 23  2  0  0  0  0
  8 24  1  0  0  0  0
  8 28  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
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 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C20H17FN6O

>  <MolWeight> (663)
376.3869832

>  <Cat> (663)
S8983

>  <Name> (663)
MAK683

>  <Synonyms> (663)
EED inhibitor-1

>  <Target> (663)
Histone Methyltransferase

>  <Form> (663)
free base

>  <CAS> (663)
1951408-58-4

>  <URL> (663)
http://www.selleckchem.com/products/mak683.html

$$$$

csChFnd80/06112513542D

 60 66  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 17  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 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
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 38  1  0  0  0  0
 43 44  1  6  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 48  1  0  0  0  0
 51 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 54  1  0  0  0  0
 55 59  1  0  0  0  0
 32 34  1  6  0  0  0
 41 60  1  1  0  0  0
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C43H48N10O6S

>  <MolWeight> (664)
832.96962

>  <Cat> (664)
S9659

>  <Name> (664)
UNC6852

>  <Synonyms> (664)
N/A

>  <Target> (664)
Epigenetic Reader Domain,Histone Methyltransferase,PROTAC

>  <Form> (664)
free base

>  <CAS> (664)
2688842-08-0

>  <URL> (664)
http://www.selleckchem.com/products/unc6852.html

$$$$

csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 10  4  2  0  0  0  0
  7  5  2  0  0  0  0
  3 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
  2 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C15H10O8

>  <MolWeight> (665)
318.2351

>  <Cat> (665)
E0675

>  <Name> (665)
Quercetagetin

>  <Synonyms> (665)
6-Hydroxyquercetin

>  <Target> (665)
Pim

>  <Form> (665)
free base

>  <CAS> (665)
90-18-6

>  <URL> (665)
http://www.selleckchem.com/products/quercetagetin.html

$$$$

csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
 24  1  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 23 12  1  1  0  0  0
 13 16  2  0  0  0  0
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 14 18  2  0  0  0  0
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 15 18  1  0  0  0  0
 16 20  1  0  0  0  0
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 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 28  1  6  0  0  0
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 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (666)
666

>  <Formula> (666)
C17H19F3N6O

>  <MolWeight> (666)
380.3675696

>  <Cat> (666)
S8162

>  <Name> (666)
Upadacitinib (ABT-494)

>  <Synonyms> (666)
N/A

>  <Target> (666)
JAK

>  <Form> (666)
free base

>  <CAS> (666)
1310726-60-3

>  <URL> (666)
http://www.selleckchem.com/products/upadacitinib.html

$$$$

csChFnd80/06112513542D

 34 37  0  0  0  0  0  0  0  0999 V2000
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    5.0373    7.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   14.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   10.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    7.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4798   12.5354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9125   13.8668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    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
   11.0994    6.8125    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    9.8871    7.5125    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
   11.0994    5.4125    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  3 15  1  0  0  0  0
  3 23  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
M  ISO  1  32   2
M  ISO  1  33   2
M  ISO  1  34   2
M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C20H19D3N8O3

>  <MolWeight> (667)
425.458965334

>  <Cat> (667)
S8879

>  <Name> (667)
Deucravacitinib (BMS-986165)

>  <Synonyms> (667)
N/A

>  <Target> (667)
IFN,Interleukins,JAK

>  <Form> (667)
free base

>  <CAS> (667)
1609392-27-9

>  <URL> (667)
http://www.selleckchem.com/products/bms-986165.html

$$$$

csChFnd80/06112513542D

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    7.2746    2.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    5.0155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2462    5.1112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.0792    5.8846    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.8259    5.2607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5744    8.4236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.8010    7.2567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.7036    9.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3920    9.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3920    7.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0773   10.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2459    9.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4259    5.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.2689    0.3377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1190    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1533    6.8943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4586    4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5121    3.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1190    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7441    6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9690    8.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2869    7.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2769    6.9052    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  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 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  2  0  0  0  0
 17 15  1  6  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 24  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 22 30  1  1  0  0  0
 21 31  1  1  0  0  0
 18 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 18 36  1  0  0  0  0
 36 19  1  0  0  0  0
 23 37  1  6  0  0  0
 24 38  1  1  0  0  0
 20 39  1  6  0  0  0
 19 40  1  1  0  0  0
 36 41  1  1  0  0  0
 36 42  1  6  0  0  0
 20 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 23  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C36H56O8

>  <MolWeight> (668)
616.82504

>  <Cat> (668)
S7791

>  <Name> (668)
Phorbol 12-myristate 13-acetate (PMA)

>  <Synonyms> (668)
12-O-Tetradecanoylphorbol-13-acetate,TPA, Phorbol myristate acetate

>  <Target> (668)
PKC,S1P Receptor

>  <Form> (668)
Free base

>  <CAS> (668)
16561-29-8

>  <URL> (668)
http://www.selleckchem.com/products/phorbol-12-myristate-13-acetate.html

$$$$

csChFnd80/06112513542D

 44 52  0  0  0  0  0  0  0  0999 V2000
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    4.1122   12.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5371   11.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3246    9.0943    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1122    8.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1122    6.9942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5371    6.9942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5371    8.3942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 28 22  1  0  0  0  0
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 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 32 25  1  0  0  0  0
 26 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 27  1  0  0  0  0
 19 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 20  1  0  0  0  0
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M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C35H30N4O4

>  <MolWeight> (669)
570.6371

>  <Cat> (669)
S8064

>  <Name> (669)
Midostaurin (PKC412)

>  <Synonyms> (669)
CGP 41251

>  <Target> (669)
PKC

>  <Form> (669)
Free base

>  <CAS> (669)
120685-11-2

>  <URL> (669)
http://www.selleckchem.com/products/midostaurin-pkc412.html

$$$$

csChFnd80/06112513542D

 68 74  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C49H60ClN9O7S2

>  <MolWeight> (670)
986.6398

>  <Cat> (670)
S8532

>  <Name> (670)
ARV-771

>  <Synonyms> (670)
N/A

>  <Target> (670)
PROTAC

>  <Form> (670)
Free base

>  <CAS> (670)
1949837-12-0

>  <URL> (670)
http://www.selleckchem.com/products/arv-771.html

$$$$

csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (671)
671

>  <Formula> (671)
C17H13N5O2

>  <MolWeight> (671)
319.31742

>  <Cat> (671)
S0269

>  <Name> (671)
GSK467

>  <Synonyms> (671)
N/A

>  <Target> (671)
Histone Demethylase

>  <Form> (671)
Free base

>  <CAS> (671)
1628332-52-4

>  <URL> (671)
http://www.selleckchem.com/products/gsk467.html

$$$$

csChFnd80/06112513542D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (672)
672

>  <Formula> (672)
C30H29F2N5O5S

>  <MolWeight> (672)
609.6435664

>  <Cat> (672)
S0356

>  <Name> (672)
Pulrodemstat (CC-90011) besylate

>  <Synonyms> (672)
LSD1-IN-7 benzenesulfonate

>  <Target> (672)
Histone Demethylase,LSD1

>  <Form> (672)
Besylate

>  <CAS> (672)
2097523-60-7

>  <URL> (672)
http://www.selleckchem.com/products/cc-90011.html

$$$$

csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7505    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9121    5.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    6.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    8.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7794    7.7453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163    9.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2363    6.6781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8963   10.4396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1038    9.4567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809    4.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5503    2.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9427    2.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1961    5.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101    1.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8976    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6901    0.4424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4670    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6823    1.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7205    2.5579    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
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8 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  8  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 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 25  1  0  0  0  0
M  END
>  <Mol_ID> (673)
673

>  <Formula> (673)
C21H18ClFN4O4

>  <MolWeight> (673)
444.8434232

>  <Cat> (673)
S0437

>  <Name> (673)
SAR-20347

>  <Synonyms> (673)
N/A

>  <Target> (673)
IFN,Interleukins,JAK

>  <Form> (673)
Free base

>  <CAS> (673)
1450881-55-6

>  <URL> (673)
http://www.selleckchem.com/products/sar-20347.html

$$$$

csChFnd80/06112513542D

 52 57  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   11.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   10.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    8.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    9.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544   10.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229   11.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903   12.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5271   13.5945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0944   14.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7250   15.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882   14.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   12.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3443    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7692    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1941    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    8.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9816    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9816    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1941    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4065    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6189    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8314    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8314   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6189   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4065   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0438   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2562   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4687   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6811   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8936   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1060   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3184   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5309   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7433   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9557   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.1682   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2562    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7433   12.5991    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 11  1  0  0  0  0
 11  7  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 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  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 20  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 24 34  1  6  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 41 51  2  0  0  0  0
 48 52  2  0  0  0  0
 22 26  1  6  0  0  0
 20 19  1  6  0  0  0
M  END
>  <Mol_ID> (674)
674

>  <Formula> (674)
C41H43N3O7S

>  <MolWeight> (674)
721.86102

>  <Cat> (674)
S2239

>  <Name> (674)
Tubacin

>  <Synonyms> (674)
N/A

>  <Target> (674)
Antiviral,DNA/RNA Synthesis,HDAC

>  <Form> (674)
Free base

>  <CAS> (674)
537049-40-4

>  <URL> (674)
http://www.selleckchem.com/products/Tubacin.html

$$$$

csChFnd80/06112513542D

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6547    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3273    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    1.5399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    2.3899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2920    3.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671    0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6695    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622    6.6344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8722    7.6244    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8547    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373   10.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020   10.2170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5543    9.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1920    9.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2543   11.0671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020   11.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.4522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9066    9.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8966    8.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2966    8.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5090    9.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2865    7.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5915    5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9438    5.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7526    3.8609    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
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  4 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 14 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 18  1  0  0  0  0
 24 26  2  0  0  0  0
 23 27  1  6  0  0  0
  1 28  2  0  0  0  0
  3 29  1  6  0  0  0
 15 30  1  0  0  0  0
 19 31  1  6  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 10  9  1  0  0  0  0
 39 40  2  0  0  0  0
 35 39  1  0  0  0  0
 39 10  1  0  0  0  0
  3 41  1  0  0  0  0
 41  7  1  0  0  0  0
M  END
>  <Mol_ID> (675)
675

>  <Formula> (675)
C24H36N4O6S2

>  <MolWeight> (675)
540.69584

>  <Cat> (675)
S3020

>  <Name> (675)
Romidepsin

>  <Synonyms> (675)
FK228, Depsipeptide, FR 901228, NSC 630176,

>  <Target> (675)
Apoptosis related,HDAC

>  <Form> (675)
Free base

>  <CAS> (675)
128517-07-7

>  <URL> (675)
http://www.selleckchem.com/products/Romidepsin-FK228.html

$$$$

csChFnd80/06112513542D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5332    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027    5.1367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1408    6.2693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    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 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    7.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5332    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9332    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6332    7.6282    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  1  0  0  0  0
  6  7  2  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
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  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  8  2  0  0  0  0
 14  9  2  0  0  0  0
  1 18  2  0  0  0  0
 15 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C18H16FN3O

>  <MolWeight> (676)
309.3375432

>  <Cat> (676)
S6789

>  <Name> (676)
JAK Inhibitor I (Pyridone 6)

>  <Synonyms> (676)
CMP 6, Compound 6

>  <Target> (676)
JAK

>  <Form> (676)
Free base

>  <CAS> (676)
457081-03-7

>  <URL> (676)
http://www.selleckchem.com/products/jak-inhibitor-i.html

$$$$

csChFnd80/06112513542D

 10 11  0  0  0  0  0  0  0  0999 V2000
    6.4315    2.1207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7096    0.1627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8303    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6137    3.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0386    2.0976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3908    1.3963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8303    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6137    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7219    3.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  6  0  0  0
  1  9  1  0  0  0  0
  6  2  1  6  0  0  0
  2 10  1  0  0  0  0
  7  3  1  1  0  0  0
  8  4  1  6  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C6H10O4

>  <MolWeight> (677)
146.1412

>  <Cat> (677)
S6984

>  <Name> (677)
Dianhydrogalactitol (VAL-083)

>  <Synonyms> (677)
Dianhydrodulcitol, Dulcitol Diepoxide

>  <Target> (677)
DNA alkylator

>  <Form> (677)
Free base

>  <CAS> (677)
23261-20-3

>  <URL> (677)
http://www.selleckchem.com/products/dianhydrogalactitol-val-083.html

$$$$

csChFnd80/06112513542D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.0522   14.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   13.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   12.5108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770   13.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4770   14.6108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   15.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.7545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2249    9.7545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2381   10.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    8.7646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2349    8.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6604    2.3899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4853    2.3899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4985    3.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4953    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8439   12.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2646   16.7059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    7.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    5.9646    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.7900    5.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4899    4.7522    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    5.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3899    4.5646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6024    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917    6.3712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7917    4.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    4.2712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2166    4.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2166    6.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    7.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4603    6.8038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    5.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4603    4.5386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042    8.4663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4248    4.2736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6504    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  1  0  0  0
  6 18  1  0  0  0  0
  7 19  1  1  0  0  0
 19 20  1  0  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 12  1  1  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
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 29  1  0  0  0  0
 33 37  2  0  0  0  0
 31 38  1  0  0  0  0
 36 13  1  1  0  0  0
 15 39  1  1  0  0  0
 23 24  1  0  0  0  0
M  CFW  17 BOND_GSTEREO 5
M  CFW  19 BOND_GSTEREO 5
M  CFW  21 BOND_GSTEREO 5
M  CFW  27 BOND_GSTEREO 5
M  CFW  40 BOND_GSTEREO 5
M  CFW  41 BOND_GSTEREO 5
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C18H23N9NaO10P

>  <MolWeight> (678)
579.393051

>  <Cat> (678)
S7013

>  <Name> (678)
Guadecitabine (SGI-110)

>  <Synonyms> (678)
S-110

>  <Target> (678)
Others

>  <Form> (678)
Free base

>  <CAS> (678)
929904-85-8

>  <URL> (678)
http://www.selleckchem.com/products/sgi-110.html

$$$$

csChFnd80/06112513542D

 39 42  0  0  0  0  0  0  0  0999 V2000
   18.1863    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9739    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5490    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
   23.0360    4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2484    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   20.6111    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8236    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3988    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6111    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8236    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0360    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 13 34  1  0  0  0  0
 14 22  1  0  0  0  0
 15 27  2  0  0  0  0
 16 37  1  0  0  0  0
 17 39  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
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 25 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
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 34 35  2  0  0  0  0
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 35 37  1  0  0  0  0
 36 38  2  0  0  0  0
 37 39  2  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C29H38Cl2N4O4

>  <MolWeight> (679)
577.54242

>  <Cat> (679)
S7042

>  <Name> (679)
AZ505

>  <Target> (679)
SMYD

>  <Form> (679)
Free base

>  <CAS> (679)
1035227-43-0

>  <URL> (679)
http://www.selleckchem.com/products/az505.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C27H33F2N7O2

>  <MolWeight> (680)
525.5934264

>  <Cat> (680)
S8665

>  <Name> (680)
GNE-781

>  <Synonyms> (680)
N/A

>  <Target> (680)
Epigenetic Reader Domain

>  <Form> (680)
Free base

>  <CAS> (680)
1936422-33-1

>  <URL> (680)
http://www.selleckchem.com/products/gne-781.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C25H24F4N4O5

>  <MolWeight> (681)
536.4754728

>  <Cat> (681)
S8740

>  <Name> (681)
A-485

>  <Synonyms> (681)
N/A

>  <Target> (681)
Epigenetic Reader Domain,Histone Acetyltransferase

>  <Form> (681)
Free base

>  <CAS> (681)
1889279-16-6

>  <URL> (681)
http://www.selleckchem.com/products/a-485.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (682)
682

>  <Formula> (682)
C24H26ClF2N5O2

>  <MolWeight> (682)
489.9453464

>  <Cat> (682)
S8782

>  <Name> (682)
LY3295668

>  <Synonyms> (682)
AK-01

>  <Target> (682)
Aurora Kinase

>  <Form> (682)
Free base

>  <CAS> (682)
1919888-06-4

>  <URL> (682)
http://www.selleckchem.com/products/ly3295668.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (683)
683

>  <Formula> (683)
C58H62Cl3F2N9O7S

>  <MolWeight> (683)
1173.5897864

>  <Cat> (683)
S8785

>  <Name> (683)
A1874

>  <Synonyms> (683)
N/A

>  <Target> (683)
Epigenetic Reader Domain,PROTAC

>  <Form> (683)
Free base

>  <CAS> (683)
2064292-12-0

>  <URL> (683)
http://www.selleckchem.com/products/a1874.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (684)
684

>  <Formula> (684)
C20H41Cl3N4O2

>  <MolWeight> (684)
475.92414

>  <Cat> (684)
S8858

>  <Name> (684)
GSK3368715 (EPZ019997) 3HCl

>  <Target> (684)
PRMT

>  <Form> (684)
Trihydrochloride

>  <CAS> (684)
2227587-26-8

>  <URL> (684)
http://www.selleckchem.com/products/gsk3368715.html

$$$$

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M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C26H34ClN3O4

>  <MolWeight> (685)
488.01886

>  <Cat> (685)
S8926

>  <Name> (685)
Valemetostat (DS-3201)

>  <Synonyms> (685)
DS-3201b

>  <Target> (685)
EZH1/2

>  <Form> (685)
Free base

>  <CAS> (685)
1809336-39-7

>  <URL> (685)
http://www.selleckchem.com/products/valemetostat-ds-3201.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C32H47FN6O4S

>  <MolWeight> (686)
630.8167832

>  <Cat> (686)
S8934

>  <Name> (686)
VTP50469

>  <Synonyms> (686)
N/A

>  <Target> (686)
Histone Methyltransferase,MLL

>  <Form> (686)
Free base

>  <CAS> (686)
2169916-18-9

>  <URL> (686)
http://www.selleckchem.com/products/vtp50469.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C51H34N6Na6O23S6

>  <MolWeight> (687)
1429.17068

>  <Cat> (687)
S8942

>  <Name> (687)
Suramin sodium salt

>  <Synonyms> (687)
Suramin hexasodium salt

>  <Target> (687)
DNA/RNA Synthesis,Sirtuin,Topoisomerase

>  <Form> (687)
Sodium salt

>  <CAS> (687)
129-46-4

>  <URL> (687)
http://www.selleckchem.com/products/suramin-sodium-salt.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C34H36F3NO13

>  <MolWeight> (688)
723.6437496

>  <Cat> (688)
S9522

>  <Name> (688)
Valrubicin

>  <Synonyms> (688)
AD-32

>  <Target> (688)
PKC

>  <Form> (688)
Free base

>  <CAS> (688)
56124-62-0

>  <URL> (688)
http://www.selleckchem.com/products/valrubicin.html

$$$$

csChFnd80/06112513542D

 35 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C27H32N6O2

>  <MolWeight> (689)
472.58198

>  <Cat> (689)
S9644

>  <Name> (689)
BMS-P5

>  <Target> (689)
PAD

>  <Form> (689)
Free base

>  <CAS> (689)
1550371-22-6

>  <URL> (689)
http://www.selleckchem.com/products/bms-p5.html

$$$$

csChFnd80/06112513542D

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690

>  <Formula> (690)
C20H17N9

>  <MolWeight> (690)
383.40928

>  <Cat> (690)
S9676

>  <Name> (690)
Ropsacitinib (PF-06826647)

>  <Synonyms> (690)
Tyk2-IN-8, compound 10

>  <Target> (690)
JAK

>  <Form> (690)
Free base

>  <CAS> (690)
2127109-84-4

>  <URL> (690)
http://www.selleckchem.com/products/pf-06826647.html

$$$$

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691

>  <Formula> (691)
C30H33N5O2

>  <MolWeight> (691)
495.61532

>  <Cat> (691)
S9691

>  <Name> (691)
BMS-986158

>  <Synonyms> (691)
N/A

>  <Target> (691)
Epigenetic Reader Domain

>  <Form> (691)
Free base

>  <CAS> (691)
1800340-40-2

>  <URL> (691)
http://www.selleckchem.com/products/bms-986158.html

$$$$

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>  <Mol_ID> (692)
692

>  <Formula> (692)
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>  <MolWeight> (692)
241.24204

>  <Cat> (692)
S9829

>  <Name> (692)
BVT-948

>  <Synonyms> (692)
N/A

>  <Target> (692)
phosphatase

>  <Form> (692)
Free base

>  <CAS> (692)
39674-97-0

>  <URL> (692)
http://www.selleckchem.com/products/alc-0315-offline.html

$$$$

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dCBP-1

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E3 Ligase

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Free base

>  <CAS> (693)
2484739-25-3

>  <URL> (693)
http://www.selleckchem.com/products/dcbp-1.html

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694

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C28H25F2N3OS

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N/A

>  <Target> (694)
Others

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Free base

>  <CAS> (694)
120166-69-0

>  <URL> (694)
http://www.selleckchem.com/products/r59949.html

$$$$

csChFnd80/06112513542D

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695

>  <Formula> (695)
C25H22N2O2

>  <MolWeight> (695)
382.45438

>  <Cat> (695)
E0132

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NCGC00244536

>  <Synonyms> (695)
N/A

>  <Target> (695)
Histone Demethylase

>  <Form> (695)
Free base

>  <CAS> (695)
2003260-55-5

>  <URL> (695)
http://www.selleckchem.com/products/ncgc00244536.html

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696

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C20H20N4O6S

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PF-9363 (CTx-648)

>  <Synonyms> (696)
N/A

>  <Target> (696)
Histone Acetyltransferase

>  <Form> (696)
Free base

>  <CAS> (696)
2569009-58-9

>  <URL> (696)
http://www.selleckchem.com/products/pf-9363-ctx-648.html

$$$$

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compound 13-d

>  <Target> (697)
Epigenetic Reader Domain

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Free base

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1884640-99-6

>  <URL> (697)
http://www.selleckchem.com/products/ni-42.html

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698

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C27H21N3O3

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Chiauranib

>  <Synonyms> (698)
CS2164

>  <Target> (698)
Aurora Kinase,c-Kit,CSF-1R,PDGFR,VEGFR

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Free base

>  <CAS> (698)
1256349-48-0

>  <URL> (698)
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699

>  <Formula> (699)
C21H22ClN5O4S

>  <MolWeight> (699)
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>  <Cat> (699)
E1007

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BRD0639

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N/A

>  <Target> (699)
PRMT

>  <Form> (699)
Free base

>  <CAS> (699)
2760881-74-9

>  <URL> (699)
http://www.selleckchem.com/products/brd0639.html

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>  <Formula> (700)
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>  <MolWeight> (700)
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>  <Cat> (700)
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>  <Synonyms> (700)
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>  <Target> (700)
PRMT

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>  <CAS> (700)
2080306-20-1

>  <URL> (700)
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 22 12  1  6  0  0  0
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 33 35  1  0  0  0  0
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 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
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 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
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 41 42  2  0  0  0  0
 43 44  1  0  0  0  0
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 51 53  2  0  0  0  0
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 53 54  1  0  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C39H49N9O5S

>  <MolWeight> (701)
755.92866

>  <Cat> (701)
E1103

>  <Name> (701)
AU-15330

>  <Target> (701)
PROTAC

>  <Form> (701)
Free base

>  <CAS> (701)
2380274-50-8

>  <URL> (701)
http://www.selleckchem.com/products/au-15330.html

$$$$

csChFnd80/06112513542D

 32 37  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 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
 21 22  1  0  0  0  0
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 28 24  1  0  0  0  0
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M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C27H20N4O

>  <MolWeight> (702)
416.4739

>  <Cat> (702)
E1167

>  <Name> (702)
X1 compound

>  <Target> (702)
Others

>  <Form> (702)
Free base

>  <CAS> (702)
2863686-82-0

>  <URL> (702)
http://www.selleckchem.com/products/x1-compound.html

$$$$

csChFnd80/06112513542D

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  3  5  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
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M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C22H29FN4O2

>  <MolWeight> (703)
400.4896632

>  <Cat> (703)
E1179

>  <Name> (703)
EZM0414

>  <Target> (703)
SETD

>  <Form> (703)
Free base

>  <CAS> (703)
2411748-50-8

>  <URL> (703)
http://www.selleckchem.com/products/ezm0414.html

$$$$

csChFnd80/06112513542D

 40 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C29H35N7O4

>  <MolWeight> (704)
545.6327

>  <Cat> (704)
E2821

>  <Name> (704)
RGB-286638 free base

>  <Target> (704)
CDK,GSK-3,JAK,MEK,TAK1

>  <Form> (704)
Free base

>  <CAS> (704)
784210-88-4

>  <URL> (704)
http://www.selleckchem.com/products/rgb-286638-free-base.html

$$$$

csChFnd80/06112513542D

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.
M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C26H26N4O4R

>  <MolWeight> (705)
458.50904

>  <Cat> (705)
E2839

>  <Name> (705)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (705)
Ro 31-7549 acetate

>  <Target> (705)
PKC

>  <Form> (705)
Acetate

>  <CAS> (705)
138516-31-1

>  <URL> (705)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C164H286N66O40

>  <MolWeight> (706)
3822.44384

>  <Cat> (706)
P1106

>  <Name> (706)
D-JNKI-1

>  <Synonyms> (706)
AM-111, XG-102, Brimapitide

>  <Target> (706)
JAK

>  <Form> (706)
Free base

>  <CAS> (706)
1445179-97-4

>  <URL> (706)
http://www.selleckchem.com/products/d-jnki-1.html

$$$$

csChFnd80/06112513542D

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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C24H21N3O3

>  <MolWeight> (707)
399.44184

>  <Cat> (707)
S2943

>  <Name> (707)
BRD9539

>  <Synonyms> (707)
N/A

>  <Target> (707)
Epigenetic Reader Domain,G9a/GLP

>  <Form> (707)
Free bC22H16Cl3N7O6ase

>  <CAS> (707)
1374601-41-8

>  <URL> (707)
http://www.selleckchem.com/products/brd9539.html

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csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 12 14  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C17H18N2O2

>  <MolWeight> (708)
282.33702

>  <Cat> (708)
E1069

>  <Name> (708)
M2912

>  <Synonyms> (708)
MSC2504877

>  <Target> (708)
PARP,Wnt/beta-catenin

>  <Form> (708)
Free base

>  <CAS> (708)
1460286-21-8

>  <URL> (708)
http://www.selleckchem.com/products/M2912.html

$$$$

csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C17H14F4N2O4S

>  <MolWeight> (709)
418.3626728

>  <Cat> (709)
E1086

>  <Name> (709)
KT-531

>  <Target> (709)
HDAC

>  <Form> (709)
Free base

>  <CAS> (709)
2490284-18-7

>  <URL> (709)
https://www.selleckchem.com/products/kt-531.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (710)
710

>  <Formula> (710)
C22H15ClFN3O2

>  <MolWeight> (710)
407.8248032

>  <Cat> (710)
E2806

>  <Name> (710)
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>  <Target> (710)
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>  <Form> (710)
Free base

>  <CAS> (710)
684234-60-4

>  <URL> (710)
https://www.selleckchem.com/products/way-323096.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C20H19ClN6O

>  <MolWeight> (711)
394.85746

>  <Cat> (711)
E1435

>  <Name> (711)
Tinengotinib

>  <Synonyms> (711)
TT-00420

>  <Target> (711)
Aurora Kinase

>  <Form> (711)
Free base

>  <CAS> (711)
2230490-29-4

>  <URL> (711)
https://www.selleckchem.com/products/tinengotinib.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C13H11N5O2S

>  <MolWeight> (712)
301.32374

>  <Cat> (712)
E1469

>  <Name> (712)
ITF3756

>  <Target> (712)
HDAC6?selective inhibitors

>  <Form> (712)
Free base

>  <CAS> (712)
2247608-27-9

>  <URL> (712)
https://www.selleckchem.com/products/itf3756.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C28H36ClN3O5S

>  <MolWeight> (713)
562.12054

>  <Cat> (713)
E1497

>  <Name> (713)
Tulmimetostat

>  <Synonyms> (713)
CPI-0209

>  <Target> (713)
EZH1/2

>  <Form> (713)
Free base

>  <CAS> (713)
2567686-02-4

>  <URL> (713)
https://www.selleckchem.com/products/tulmimetostat.html

$$$$

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>  <Mol_ID> (714)
714

>  <Formula> (714)
C19H19N5O

>  <MolWeight> (714)
333.38706

>  <Cat> (714)
E1517

>  <Name> (714)
ZEN-3694

>  <Target> (714)
Epigenetic Reader Domain

>  <Form> (714)
Free base

>  <CAS> (714)
1643947-30-1

>  <URL> (714)
https://www.selleckchem.com/products/zen-3694.html

$$$$

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    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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 12  1  0  0  0  0
 19  2  1  6  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
 20  7  1  1  0  0  0
  9 24  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 13 17  2  0  0  0  0
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 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
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 29 30  2  0  0  0  0
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 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C23H24N8O3

>  <MolWeight> (715)
460.48846

>  <Cat> (715)
E1526

>  <Name> (715)
Zasocitinib

>  <Synonyms> (715)
NDI-034858; TAK-279

>  <Target> (715)
JAK

>  <Form> (715)
Free base

>  <CAS> (715)
2272904-53-5

>  <URL> (715)
https://www.selleckchem.com/products/zasocitinib.html

$$$$

csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5 19  1  0  0  0  0
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  7  8  1  0  0  0  0
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  7 10  2  0  0  0  0
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  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  2  0  0  0  0
 13 14  1  0  0  0  0
 16 17  2  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> (716)
716

>  <Formula> (716)
C12H6ClFN4O3

>  <MolWeight> (716)
308.6524432

>  <Cat> (716)
E1618

>  <Name> (716)
TC-S 7009

>  <Target> (716)
HIF

>  <Form> (716)
Free base

>  <CAS> (716)
1422955-31-4

>  <URL> (716)
https://www.selleckchem.com/products/tc-s-7009.html

$$$$

csChFnd80/06112513542D

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    6.0622    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 14  1  0  0  0  0
  1 21  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 18 20  1  0  0  0  0
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 21 22  2  0  0  0  0
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 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
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 33 35  1  0  0  0  0
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 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C26H25F3N8O

>  <MolWeight> (717)
522.5249096

>  <Cat> (717)
E1651

>  <Name> (717)
CD532

>  <Target> (717)
Aurora Kinase

>  <Form> (717)
Free base

>  <CAS> (717)
1639009-81-6

>  <URL> (717)
https://www.selleckchem.com/products/cd532.html

$$$$

csChFnd80/06112513542D

 38 39  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 33  1  0  0  0  0
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M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C31H43ClF3NO2

>  <MolWeight> (718)
554.1268296

>  <Cat> (718)
E1654

>  <Name> (718)
CTPB

>  <Target> (718)
Histone Acetyltransferase

>  <Form> (718)
Free base

>  <CAS> (718)
586976-24-1

>  <URL> (718)
https://www.selleckchem.com/products/ctpb.html

$$$$

csChFnd80/06112513542D

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720

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385786-48-1

>  <URL> (720)
https://www.selleckchem.com/products/adaptaquin.html

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329932-55-0

>  <URL> (721)
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2514-30-9

>  <URL> (723)
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709676-56-2

>  <URL> (724)
https://www.selleckchem.com/products/ttk21.html

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>  <CAS> (725)
1349719-98-7

>  <URL> (725)
https://www.selleckchem.com/products/ten-010.html

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726

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C27H25ClN6

>  <MolWeight> (726)
468.9806

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8048-52-0

>  <URL> (726)
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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C26H31BrN8O

>  <MolWeight> (727)
551.48134

>  <Cat> (727)
S2744

>  <Name> (727)
CCT137690

>  <Synonyms> (727)
N/A

>  <Target> (727)
Aurora Kinase

>  <Form> (727)
Free Base

>  <CAS> (727)
1095382-05-0

>  <URL> (727)
http://selleckchem.com/products/cct137690.html

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C54H83NaO23

>  <MolWeight> (728)
1123.21279

>  <Cat> (728)
S3770

>  <Name> (728)
Sodium Aescinate

>  <Synonyms> (728)
Escin sodium salt

>  <Target> (728)
NF-¦ÊB

>  <Form> (728)
sodium salt

>  <CAS> (728)
20977-05-3

>  <URL> (728)
http://selleckchem.com/products/sodium-aescinate.html

$$$$
Minocycline hydrochloride.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C23H28ClN3O7

>  <MolWeight> (729)
493.93732

>  <Cat> (729)
S4226

>  <Name> (729)
Minocycline (CL 59806) HCl

>  <Synonyms> (729)
Minocin

>  <Target> (729)
Antibiotics

>  <Form> (729)
Hydrochloride

>  <CAS> (729)
13614-98-7

>  <URL> (729)
http://selleckchem.com/products/minocycline-hcl.html

$$$$
EPZ005687.cdx
csChFnd80/06112513542D

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   14.5492   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C32H37N5O3

>  <MolWeight> (730)
539.66788

>  <Cat> (730)
S7004

>  <Name> (730)
EPZ005687

>  <Synonyms> (730)
N/A

>  <Target> (730)
EZH1/2,Histone Methyltransferase

>  <Form> (730)
Free Base

>  <CAS> (730)
1396772-26-1

>  <URL> (730)
http://selleckchem.com/products/epz005687.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/06112513542D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2024    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6273    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6273    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900    8.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7776    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5651    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527    7.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0522    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4190    5.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    6.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0287    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5245    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8940    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8307    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3981    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  4 16  1  0  0  0  0
 17 18  2  0  0  0  0
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M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C24H27Cl2N5O

>  <MolWeight> (731)
472.41008

>  <Cat> (731)
S7306

>  <Name> (731)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (731)
BML-275 2HCl,Compound C 2HCl

>  <Target> (731)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (731)
Dihydrochloride

>  <CAS> (731)
1219168-18-9

>  <URL> (731)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/06112513542D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207   12.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2166    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C34H44N4O4

>  <MolWeight> (732)
572.73756

>  <Cat> (732)
S7128

>  <Name> (732)
Tazemetostat (EPZ-6438)

>  <Synonyms> (732)
E7438

>  <Target> (732)
EZH1/2,Histone Methyltransferase

>  <Form> (732)
free base

>  <CAS> (732)
1403254-99-8

>  <URL> (732)
http://selleckchem.com/products/epz-6438.html

$$$$
BMS863233.cdx
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    4.7303    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320    5.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440    6.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    5.8597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    4.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    3.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    3.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6113    2.9838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 20 16  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C14H13Cl2N3O2

>  <MolWeight> (733)
326.17792

>  <Cat> (733)
S7547

>  <Name> (733)
XL413 (BMS-863233)

>  <Synonyms> (733)
N/A

>  <Target> (733)
CDK

>  <Form> (733)
free base

>  <CAS> (733)
1169562-71-3

>  <URL> (733)
http://selleckchem.com/products/xl413-bms-863233.html

$$$$
Amifostine .cdx
csChFnd80/06112513542D

 15 11  0  0  0  0  0  0  0  0999 V2000
    9.7763    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7477    1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0779    1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4367    1.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4082    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7669    2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7384    3.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0972    2.6835    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4344    4.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7599    1.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4559    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    1.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (734)
734

>  <Formula> (734)
C5H21N2O6PS

>  <MolWeight> (734)
268.268801

>  <Cat> (734)
S4298

>  <Name> (734)
Amifostine trihydrate

>  <Synonyms> (734)
WR2721 trihydrate

>  <Target> (734)
Others

>  <Form> (734)
trihydrate

>  <CAS> (734)
112901-68-5

>  <URL> (734)
http://selleckchem.com/products/amifostine.html

$$$$
GSK126.cdx
csChFnd80/06112513542D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
   11.0310    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    3.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5268    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7698    3.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   13.3000    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 N   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 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  2  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 10 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 39  1  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C31H38N6O2

>  <MolWeight> (735)
526.67242

>  <Cat> (735)
S7061

>  <Name> (735)
GSK126

>  <Synonyms> (735)
GSK2816126A, GSK2816126

>  <Target> (735)
EZH1/2,Histone Methyltransferase

>  <Form> (735)
Free Base

>  <CAS> (735)
1346574-57-9

>  <URL> (735)
http://selleckchem.com/products/gsk126.html

$$$$
Dorsomorphin.cdx
csChFnd80/06112513542D

 30 34  0  0  0  0  0  0  0  0999 V2000
    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
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    6.0622    0.0000    0.0000 O   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   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
    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
   10.9119    2.8000    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
   13.3368    2.8000    0.0000 N   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
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4912    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0994    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4688    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9014    7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9646    8.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5952    8.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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 10  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C24H25N5O

>  <MolWeight> (736)
399.4882

>  <Cat> (736)
S7840

>  <Name> (736)
Dorsomorphin (Compound C)

>  <Synonyms> (736)
BML-275,Compound C

>  <Target> (736)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (736)
Free Base

>  <CAS> (736)
866405-64-3

>  <URL> (736)
http://selleckchem.com/products/dorsomorphin.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/06112513542D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.8918    2.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    1.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225    0.8146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    3.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9280    3.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307    4.9188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    1.3295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7307    0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1573    1.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0210    2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    1.7784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6232    0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3134    3.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9134    3.1118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669    5.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696    7.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361    7.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973    5.3454    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  2  0  0  0  0
 11 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 14  1  0  0  0  0
  7 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  7  1  0  0  0  0
M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C13H14N8O2

>  <MolWeight> (737)
314.30266

>  <Cat> (737)
S8138

>  <Name> (737)
Molidustat (BAY 85-3934)

>  <Synonyms> (737)
N/A

>  <Target> (737)
HIF

>  <Form> (737)
free base

>  <CAS> (737)
1154028-82-6

>  <URL> (737)
http://selleckchem.com/products/molidustat-(bay85-3934).html

$$$$

csChFnd80/06112513542D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.1000    0.0000    0.0000 O   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
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    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
    4.2000    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6374    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
    0.7000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C9H8N2O

>  <MolWeight> (738)
160.17262

>  <Cat> (738)
E4246

>  <Name> (738)
2-Methylquinazolin-4-ol

>  <Target> (738)
PARP

>  <Form> (738)
free base

>  <CAS> (738)
1769-24-0

>  <URL> (738)
https://www.selleckchem.com/products/2-methylquinazolin-4-ol.html

$$$$

csChFnd80/06112513542D

 35 39  0  0  0  0  0  0  0  0999 V2000
   19.0526    2.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7526    0.9899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7526    3.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C25H32N6O3S

>  <MolWeight> (739)
496.62498

>  <Cat> (739)
E1185

>  <Name> (739)
SR-0813

>  <Target> (739)
Others

>  <Form> (739)
free base

>  <CAS> (739)
2597186-19-9

>  <URL> (739)
https://www.selleckchem.com/products/sr-0813.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C48H52F4N6O9

>  <MolWeight> (740)
932.9548928

>  <Cat> (740)
E1215

>  <Name> (740)
JQAD1

>  <Target> (740)
Histone Acetyltransferase

>  <Form> (740)
free base

>  <CAS> (740)
2417097-18-6

>  <URL> (740)
https://www.selleckchem.com/products/jqad1.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C21H16BrCl2FN2O6S2

>  <MolWeight> (741)
626.2999432

>  <Cat> (741)
E1267

>  <Name> (741)
MDL-800

>  <Target> (741)
Sirtuin

>  <Form> (741)
free base

>  <CAS> (741)
2275619-53-7

>  <URL> (741)
https://www.selleckchem.com/products/mdl-800.html

$$$$

csChFnd80/06112513542D

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M  CFW   0 B_NG_STER 3
M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C18H14N2O3

>  <MolWeight> (742)
306.31536

>  <Cat> (742)
E1335

>  <Name> (742)
SD49-7

>  <Synonyms> (742)
2-hydroxy-1-naphthalaldehyde salicyloylhydrazone

>  <Target> (742)
Histone Demethylase

>  <Form> (742)
free base

>  <CAS> (742)
54009-54-0

>  <URL> (742)
https://www.selleckchem.com/products/sd49-7.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C39H48FN9O4

>  <MolWeight> (743)
725.8547232

>  <Cat> (743)
E1348

>  <Name> (743)
E-7386

>  <Target> (743)
Epigenetic Reader Domain

>  <Form> (743)
free base

>  <CAS> (743)
1799824-08-0

>  <URL> (743)
https://www.selleckchem.com/products/e-7386.html

$$$$

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>  <Mol_ID> (744)
744

>  <Formula> (744)
C25H22F3N7O4S

>  <MolWeight> (744)
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>  <Cat> (744)
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>  <Name> (744)
GW806742X

>  <Target> (744)
Mixed Lineage Kinase

>  <Form> (744)
free base

>  <CAS> (744)
579515-63-2

>  <URL> (744)
https://www.selleckchem.com/products/gw806742x.html

$$$$

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M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C23H24N6O

>  <MolWeight> (745)
400.47626

>  <Cat> (745)
E1425

>  <Name> (745)
Nesuparib

>  <Synonyms> (745)
JPI-547, NOV140201

>  <Target> (745)
PARP

>  <Form> (745)
free base

>  <CAS> (745)
2055357-64-5

>  <URL> (745)
https://www.selleckchem.com/products/nesuparib.html

$$$$

csChFnd80/06112513542D

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 35  1  1  0  0  0  0
 18  5  1  0  0  0  0
 13  8  1  0  0  0  0
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 22  9  1  0  0  0  0
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M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C27H38N6O2

>  <MolWeight> (746)
478.62962

>  <Cat> (746)
E1429

>  <Name> (746)
T1-44

>  <Target> (746)
PRMT

>  <Form> (746)
free base

>  <URL> (746)
https://www.selleckchem.com/products/t1-44.html

$$$$

csChFnd80/06112513542D

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>  <Mol_ID> (747)
747

>  <Formula> (747)
C29H20ClNO3

>  <MolWeight> (747)
465.927

>  <Cat> (747)
E2371

>  <Name> (747)
YLF-466D

>  <Target> (747)
AMPK

>  <Form> (747)
free base

>  <CAS> (747)
1273323-67-3

>  <URL> (747)
https://www.selleckchem.com/products/ylf-466d.html

$$$$

csChFnd80/06112513542D

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M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C17H26ClN3O

>  <MolWeight> (748)
323.86084

>  <Cat> (748)
E2887

>  <Name> (748)
MS023 hydrochloride

>  <Synonyms> (748)
Compound 3

>  <Target> (748)
PRMT

>  <Form> (748)
hydrochloride

>  <CAS> (748)
2108631-19-0

>  <URL> (748)
https://www.selleckchem.com/products/ms023-hydrochloride.html

$$$$

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    1.2124    5.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4807    3.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8773    3.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1421    4.5759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4018    4.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3293    5.3177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 12  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  0  0  0  0
  7 21  1  0  0  0  0
  7 30  1  0  0  0  0
  8 23  1  0  0  0  0
  9 25  1  0  0  0  0
 10 27  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
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 27 29  2  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C23H22Cl2FN5O3

>  <MolWeight> (749)
506.3568832

>  <Cat> (749)
S9741

>  <Name> (749)
TAS-119

>  <Target> (749)
Aurora Kinase

>  <Form> (749)
Free base

>  <CAS> (749)
1453099-83-6

>  <URL> (749)
https://www.selleckchem.com/products/tas-119.html

$$$$

csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
    7.3097    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6413    2.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6816    1.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6283    4.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    4.6778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    4.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  4  9  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C14H14N2OS

>  <MolWeight> (750)
258.33876

>  <Cat> (750)
E1636

>  <Name> (750)
MV1035

>  <Target> (750)
Others

>  <Form> (750)
Free base

>  <CAS> (750)
1199944-04-1

>  <URL> (750)
https://www.selleckchem.com/products/mv1035.html

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/06112513542D

 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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   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
    4.8455    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    2.7854    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
  3  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  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C8H9ClN4

>  <MolWeight> (751)
196.63686

>  <Cat> (751)
S2562

>  <Name> (751)
Hydralazine HCl

>  <Synonyms> (751)
N/A

>  <Target> (751)
Potassium Channel

>  <Form> (751)
Hydrochloride

>  <CAS> (751)
304-20-1

>  <URL> (751)
http://selleckchem.com/products/Hydralazine-hydrochloride.html

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/06112513542D

 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
    4.8497    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2831    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    5.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 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
M  END
>  <Mol_ID> (752)
752

>  <Formula> (752)
C12H20ClN3O

>  <MolWeight> (752)
257.7597

>  <Cat> (752)
S1995

>  <Name> (752)
Procarbazine HCl

>  <Synonyms> (752)
NSC-77213 HCl

>  <Target> (752)
DNA/RNA Synthesis

>  <Form> (752)
Hydrochloride

>  <CAS> (752)
366-70-1

>  <URL> (752)
http://selleckchem.com/products/procarbazine-hydrochloride-matulane.html

$$$$

csChFnd80/06112513542D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   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
    6.0622    0.0000    0.0000 Li  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
   15.9710   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2488   28.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1099   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3877   18.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (753)
753

>  <Formula> (753)
C6H13Li3O11

>  <MolWeight> (753)
281.98382

>  <Cat> (753)
S4519

>  <Name> (753)
Citric acid trilithium salt tetrahydrate

>  <Synonyms> (753)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (753)
Others

>  <Form> (753)
free base

>  <CAS> (753)
6080-58-6

>  <URL> (753)
http://selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

$$$$

csChFnd80/06112513542D

 39 40  0  0  0  0  0  0  0  0999 V2000
    7.7001    8.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001   10.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    8.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3748    9.7022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0648    6.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0547    7.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4072    7.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6925    9.1173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7695    6.0505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7795    5.0604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1418    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3001    6.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6001    5.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    7.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7982    9.6401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8001    7.6498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    6.4374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4001    7.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0125    8.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7125    7.1374    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8001    5.2250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001    6.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001    5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    6.4374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3971    8.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1780    9.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7797    8.1736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4254   10.4110    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4154    9.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4901    5.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8991    1.4000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.8991    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 20  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
 22  5  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 32  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 30  2  0  0  0  0
 16 36  1  0  0  0  0
 17 31  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 37  1  6  0  0  0
 20 24  2  0  0  0  0
 21 22  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  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
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (754)
754

>  <Formula> (754)
C18H20N8NaO8S3

>  <MolWeight> (754)
595.58497

>  <Cat> (754)
S4158

>  <Name> (754)
Ceftriaxone disodium salt hemi (heptahydrate)

>  <Synonyms> (754)
N/A

>  <Target> (754)
Antibiotics

>  <Form> (754)
disodium salt hemi

>  <CAS> (754)
104376-79-6

>  <URL> (754)
http://selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

$$$$
Camptothecine.cdx
csChFnd80/06112513542D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3894    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341    1.5967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9589    1.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6047    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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 10  1  0  0  0  0
 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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 13  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (755)
755

>  <Formula> (755)
C20H16N2O4

>  <MolWeight> (755)
348.35204

>  <Cat> (755)
S1288

>  <Name> (755)
Camptothecin (NSC-100880)

>  <Synonyms> (755)
CPT, Campathecin, (S)-(+)-Camptothecin

>  <Target> (755)
ADC Cytotoxin,Apoptosis related,MicroRNA,Topoisomerase

>  <Form> (755)
Free Base

>  <CAS> (755)
7689-03-4

>  <URL> (755)
http://selleckchem.com/products/Camptothecine.html

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 F   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 N   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
  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
  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> (756)
756

>  <Formula> (756)
C16H18FN3O3

>  <MolWeight> (756)
319.3308232

>  <Cat> (756)
S1509

>  <Name> (756)
Norfloxacin

>  <Synonyms> (756)
MK-0366

>  <Target> (756)
Topoisomerase

>  <Form> (756)
free base

>  <CAS> (756)
70458-96-7

>  <URL> (756)
http://selleckchem.com/products/Norfloxacin(Norxacin).html

$$$$
CCT129202.cdx
csChFnd80/06112513542D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3778    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    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    6.9951    0.0000 N   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
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    8.5184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    9.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   10.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 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 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
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  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 30  2  0  0  0  0
M  END
>  <Mol_ID> (757)
757

>  <Formula> (757)
C23H25ClN8OS

>  <MolWeight> (757)
497.0156

>  <Cat> (757)
S1519

>  <Name> (757)
CCT129202

>  <Synonyms> (757)
N/A

>  <Target> (757)
Aurora Kinase

>  <Form> (757)
Free Base

>  <CAS> (757)
942947-93-5

>  <URL> (757)
http://selleckchem.com/products/CCT129202.html

$$$$
Sodium butyrate.cdx
csChFnd80/06112513542D

  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
  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
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (758)
758

>  <Formula> (758)
C4H7NaO2

>  <MolWeight> (758)
110.08695

>  <Cat> (758)
S1999

>  <Name> (758)
Sodium butyrate

>  <Synonyms> (758)
NaB, Butanoic acid sodium salt

>  <Target> (758)
Apoptosis related,Autophagy,HDAC

>  <Form> (758)
Sodium Salt

>  <CAS> (758)
156-54-7

>  <URL> (758)
http://selleckchem.com/products/Sodium-butyrate.html

$$$$
BI-9564.cdx
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   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
    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 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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  7 11  2  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
 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (759)
759

>  <Formula> (759)
C20H23N3O3

>  <MolWeight> (759)
353.41492

>  <Cat> (759)
S8113

>  <Name> (759)
BI-9564

>  <Synonyms> (759)
N/A

>  <Target> (759)
Epigenetic Reader Domain

>  <Form> (759)
Free Base

>  <CAS> (759)
1883429-22-8

>  <URL> (759)
http://selleckchem.com/products/bi-9564.html

$$$$
STO-609.cdx
csChFnd80/06112513542D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (760)
760

>  <Formula> (760)
C19H10N2O3

>  <MolWeight> (760)
314.2943

>  <Cat> (760)
S8274

>  <Name> (760)
STO-609

>  <Synonyms> (760)
N/A

>  <Target> (760)
AMPK,Autophagy,CaMK

>  <Form> (760)
free base

>  <CAS> (760)
52029-86-4

>  <URL> (760)
http://selleckchem.com/products/sto-609.html

$$$$
TAK-659.cdx
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (761)
761

>  <Formula> (761)
C17H22ClFN6O

>  <MolWeight> (761)
380.8475832

>  <Cat> (761)
S8442

>  <Name> (761)
TAK-659

>  <Synonyms> (761)
N/A

>  <Target> (761)
FLT3,Syk

>  <Form> (761)
hydrochloride

>  <CAS> (761)
1952251-28-3

>  <URL> (761)
http://selleckchem.com/products/tak-659.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/06112513542D

 15 12  0  0  0  0  0  0  0  0999 V2000
    7.1740    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (762)
762

>  <Formula> (762)
C4H8N3Na2O5P

>  <MolWeight> (762)
255.076721

>  <Cat> (762)
S4770

>  <Name> (762)
Creatine phosphate disodium salt

>  <Synonyms> (762)
Phosphocreatine disodium salt

>  <Target> (762)
Others

>  <Form> (762)
disodium salt

>  <CAS> (762)
922-32-7

>  <URL> (762)
http://selleckchem.com/products/creatine-phosphate-disodium-salt.html

$$$$
S5588 Creatine.cdx
csChFnd80/06112513542D

  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
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    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
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  1  4  1  0  0  0  0
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  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (763)
763

>  <Formula> (763)
C4H9N3O2

>  <MolWeight> (763)
131.13316

>  <Cat> (763)
S5588

>  <Name> (763)
Creatine

>  <Synonyms> (763)
Methylguanidoacetic acid

>  <Target> (763)
IFN,JAK

>  <Form> (763)
free base

>  <CAS> (763)
57-00-1

>  <URL> (763)
http://selleckchem.com/products/creatine.html

$$$$

csChFnd80/06112513542D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4110    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8352    1.4027    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  5  1  0  0  0  0
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  5 10  1  0  0  0  0
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  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (764)
764

>  <Formula> (764)
C6H6Br6

>  <MolWeight> (764)
557.53584

>  <Cat> (764)
S5902

>  <Name> (764)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (764)
NSC7908

>  <Target> (764)
JAK

>  <Form> (764)
Free Base

>  <CAS> (764)
1837-91-8

>  <URL> (764)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$
S9067 Pseudoprotodioscin.cdx
csChFnd80/06112513542D

 77 85  0  0  0  0  0  0  0  0999 V2000
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    3.6148   10.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    2.0821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4824    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470   11.9087    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0801    9.8039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6148   11.9087    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0801    1.3727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   12.5608    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0801   12.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3909   13.9336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8030    7.1728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5922   11.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5446    8.9917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9374    8.2594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2861    7.3215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  7  1  0  0  0  0
  2 73  1  6  0  0  0
  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  8 76  1  6  0  0  0
  9 14  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 77  1  6  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  1  0  0  0
 17 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 31 29  1  1  0  0  0
 32 30  1  1  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 33 38  1  6  0  0  0
 34 39  1  0  0  0  0
 35 40  1  0  0  0  0
 36 41  1  0  0  0  0
 36 42  1  6  0  0  0
 37 43  1  0  0  0  0
 37 44  1  1  0  0  0
 45 38  1  1  0  0  0
 39 46  1  1  0  0  0
 39 43  1  0  0  0  0
 40 47  1  0  0  0  0
 40 48  1  1  0  0  0
 41 49  1  1  0  0  0
 41 47  1  0  0  0  0
 43 50  1  6  0  0  0
 45 51  1  0  0  0  0
 45 52  1  0  0  0  0
 46 53  1  0  0  0  0
 47 54  1  6  0  0  0
 48 55  1  0  0  0  0
 56 50  1  1  0  0  0
 51 57  1  0  0  0  0
 51 58  1  6  0  0  0
 52 59  1  0  0  0  0
 56 60  1  0  0  0  0
 56 61  1  0  0  0  0
 57 62  1  0  0  0  0
 57 63  1  6  0  0  0
 59 64  1  6  0  0  0
 59 62  1  0  0  0  0
 60 65  1  0  0  0  0
 60 66  1  6  0  0  0
 61 67  1  0  0  0  0
 62 68  1  1  0  0  0
 65 69  1  0  0  0  0
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 67 69  1  0  0  0  0
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M  END
>  <Mol_ID> (765)
765

>  <Formula> (765)
C51H82O21

>  <MolWeight> (765)
1031.18418

>  <Cat> (765)
S9067

>  <Name> (765)
Pseudoprotodioscin

>  <Synonyms> (765)
OP31761

>  <Target> (765)
Immunology & Inflammation related,MicroRNA,SREBP

>  <Form> (765)
free base

>  <CAS> (765)
102115-79-7

>  <URL> (765)
https://www.selleckchem.com/products/pseudoprotodioscin.html

$$$$

csChFnd80/06112513542D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4253    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.1930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2064    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
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (766)
766

>  <Formula> (766)
C5H7N3O

>  <MolWeight> (766)
125.12858

>  <Cat> (766)
S6021

>  <Name> (766)
5-Methylcytosine

>  <Synonyms> (766)
N/A

>  <Target> (766)
Others

>  <Form> (766)
free base

>  <CAS> (766)
554-01-8

>  <URL> (766)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/06112513542D

 10  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065    0.0000    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  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (767)
767

>  <Formula> (767)
C4H11N3O3

>  <MolWeight> (767)
149.14844

>  <Cat> (767)
S6023

>  <Name> (767)
Creatine monohydrate

>  <Synonyms> (767)
Methylguanidoacetic acid monohydrate

>  <Target> (767)
Others

>  <Form> (767)
monohydrate

>  <CAS> (767)
6020-87-7

>  <URL> (767)
http://www.selleck.cn/products/creatine-monohydrate.html

$$$$

csChFnd80/06112513542D

 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
    8.4786    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.2000    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  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> (768)
768

>  <Formula> (768)
C18H20FN3O4

>  <MolWeight> (768)
361.3675032

>  <Cat> (768)
S1463

>  <Name> (768)
Ofloxacin

>  <Synonyms> (768)
DL8280

>  <Target> (768)
Topoisomerase

>  <Form> (768)
Free Base

>  <CAS> (768)
82419-36-1

>  <URL> (768)
http://www.selleck.cn/products/Ofloxacin(Floxin).html

$$$$

csChFnd80/06112513542D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.1335    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5584    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1957    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7708    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6206    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 13 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
 32 33  2  0  0  0  0
 33 13  1  0  0  0  0
 30 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 39  1  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (769)
769

>  <Formula> (769)
C31H39N7O2

>  <MolWeight> (769)
541.68706

>  <Cat> (769)
S7164

>  <Name> (769)
GSK343

>  <Synonyms> (769)
N/A

>  <Target> (769)
Autophagy,EZH1/2,Histone Methyltransferase

>  <Form> (769)
Free Base

>  <CAS> (769)
1346704-33-3

>  <URL> (769)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/06112513542D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2744    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9736    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7612    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5487    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1861    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3983    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8232    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8232    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2480    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2480    2.8001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    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  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
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 20 29  2  0  0  0  0
 24 29  1  0  0  0  0
 31 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
 33 38  1  0  0  0  0
 32 35  1  0  0  0  0
 30 31  1  0  0  0  0
 21 30  1  0  0  0  0
  4 26  1  0  0  0  0
  5 39  1  0  0  0  0
M  END
>  <Mol_ID> (770)
770

>  <Formula> (770)
C29H28F3N5O2

>  <MolWeight> (770)
535.5601296

>  <Cat> (770)
S2213

>  <Name> (770)
AMG-47a

>  <Synonyms> (770)
N/A

>  <Target> (770)
Src

>  <Form> (770)
Free Base

>  <CAS> (770)
882663-88-9

>  <URL> (770)
https://www.selleckchem.com/products/amg-47a.html

$$$$

csChFnd80/06112513542D

 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
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    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> (771)
771

>  <Formula> (771)
C19H18NO4+

>  <MolWeight> (771)
324.35052

>  <Cat> (771)
S3299

>  <Name> (771)
Demethyleneberberine

>  <Synonyms> (771)
DMB

>  <Target> (771)
AMPK,Interleukins,NF-¦ÊB,Peroxidases,TNF-alpha

>  <Form> (771)
free base

>  <CAS> (771)
25459-91-0

>  <URL> (771)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/06112513542D

152158  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (772)
772

>  <Formula> (772)
C97H144FN33O19S2

>  <MolWeight> (772)
2159.5193632

>  <Cat> (772)
S9665

>  <Name> (772)
Motixafortide (BL-8040)

>  <Synonyms> (772)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (772)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (772)
free base

>  <CAS> (772)
664334-36-5

>  <URL> (772)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/06112513542D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (773)
773

>  <Formula> (773)
C5H6Na2O5

>  <MolWeight> (773)
192.07768

>  <Cat> (773)
S1325

>  <Name> (773)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (773)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LGA, L-2HG

>  <Target> (773)
Histone Demethylase

>  <Form> (773)
Disodium

>  <CAS> (773)
63512-50-5

>  <URL> (773)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/06112513542D

 35 34  0  0  0  0  0  0  0  0999 V2000
   11.2073    4.9554    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.8171    3.1418    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.4269    1.3284    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3977    3.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   17.0016    0.8377    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.6708    0.0163    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1306    6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6309    9.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5358    4.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 20  2  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
 26  8  1  6  0  0  0
 27  9  1  6  0  0  0
 10 30  1  0  0  0  0
 14 34  2  0  0  0  0
 28 21  1  1  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 32  2  0  0  0  0
 22 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 35  2  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 35  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  1  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (774)
774

>  <Formula> (774)
C10H13N5Na3O14P3

>  <MolWeight> (774)
589.125913

>  <Cat> (774)
S3084

>  <Name> (774)
Guanosine 5'-triphosphate trisodium salt

>  <Synonyms> (774)
5'-GTP trisodium salt, Guanosine triphosphate, H4GTP

>  <Target> (774)
MicroRNA

>  <Form> (774)
Trisodium salt

>  <CAS> (774)
36051-31-7

>  <URL> (774)
https://www.selleckchem.com/products/guanosine-5-triphosphate-trisodium-salt.html

$$$$

csChFnd80/06112513542D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    1.4000    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  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
  3  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
  9 11  1  0  0  0  0
  4  9  2  3  0  0  0
M  CFW  11 B_NG_STER 3
M  END
>  <Mol_ID> (775)
775

>  <Formula> (775)
C6H7N3O3

>  <MolWeight> (775)
169.13808

>  <Cat> (775)
E0351

>  <Name> (775)
NSC232003

>  <Synonyms> (775)
N/A

>  <Target> (775)
E3 Ligase

>  <Form> (775)
Free Base

>  <CAS> (775)
1905453-18-0

>  <URL> (775)
http://www.selleckchem.com/products/nsc232003.html

$$$$

csChFnd80/06112513542D

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   11.8539    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6414    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 24  1  0  0  0  0
  2 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 18  1  0  0  0  0
  3 25  1  0  0  0  0
  4 22  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  2  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 13 15  2  0  0  0  0
 14 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 20  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (776)
776

>  <Formula> (776)
C21H18NO4+

>  <MolWeight> (776)
348.37192

>  <Cat> (776)
E0124

>  <Name> (776)
Chelerythrine

>  <Synonyms> (776)
Toddaline, Broussonpapyrine

>  <Target> (776)
Bcl-2,PKC

>  <Form> (776)
Free Base

>  <CAS> (776)
34316-15-9

>  <URL> (776)
http://www.selleckchem.com/products/chelerythrine.html

$$$$

csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
  1 11  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
  3 15  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
  7 19  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (777)
777

>  <Formula> (777)
C10H8O10S3

>  <MolWeight> (777)
384.35952

>  <Cat> (777)
E2403

>  <Name> (777)
¦Æ-Stat (NSC37044)

>  <Target> (777)
PKC

>  <Form> (777)
free base

>  <CAS> (777)
3316-02-7

>  <URL> (777)
http://www.selleckchem.com/products/zeta-stat-nsc37044-.html

$$$$

csChFnd80/06112513542D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    5.6936    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.0812    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8688    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  6  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 18 16  1  1  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  6  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (778)
778

>  <Formula> (778)
C18H24N2O4S

>  <MolWeight> (778)
364.45916

>  <Cat> (778)
S9464

>  <Name> (778)
Tranylcypromine Sulfate

>  <Synonyms> (778)
Parnate

>  <Target> (778)
MAO

>  <Form> (778)
Sulfate

>  <CAS> (778)
13492-01-8

>  <URL> (778)
http://www.selleckchem.com/products/tranylcypromine-sulfate.html

$$$$

csChFnd80/06112513542D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   11.8783    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4363    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0109    0.2535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2899    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  5 14  2  0  0  0  0
  6 16  1  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
 10 11  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
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  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
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (779)
779

>  <Formula> (779)
C20H18N6O3

>  <MolWeight> (779)
390.39532

>  <Cat> (779)
E2818

>  <Name> (779)
MARK4 inhibitor 1

>  <Target> (779)
AMPK

>  <Form> (779)
Free base

>  <CAS> (779)
2271081-58-2

>  <URL> (779)
http://www.selleckchem.com/products/mark4-inhibitor-1.html

$$$$

csChFnd80/06112513542D

 37 42  0  0  0  0  0  0  0  0999 V2000
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  2 32  1  0  0  0  0
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 22 24  2  0  0  0  0
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M  END
>  <Mol_ID> (780)
780

>  <Formula> (780)
C30H27N5O2

>  <MolWeight> (780)
489.56768

>  <Cat> (780)
S9872

>  <Name> (780)
AG-270

>  <Target> (780)
MAT2A

>  <Form> (780)
Free base

>  <CAS> (780)
2201056-66-6

>  <URL> (780)
https://www.selleckchem.com/products/ag-270.html

$$$$

csChFnd80/06112513542D

 15 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (781)
781

>  <Formula> (781)
C6H10KO8

>  <MolWeight> (781)
249.2371

>  <Cat> (781)
E4157

>  <Name> (781)
Hydroxycitric acid (tripotassium hydrate)

>  <Synonyms> (781)
Potassium citrate monohydrate

>  <Target> (781)
ATP citrate lyase;HIF

>  <Form> (781)
Salt

>  <CAS> (781)
6100-05-6

>  <URL> (781)
https://www.selleckchem.com/products/hydroxycitric-acid-tripotassium-hydrate.html

$$$$
WAY-312666
csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (782)
782

>  <Formula> (782)
C18H17Cl2N3O4S

>  <MolWeight> (782)
442.31628

>  <Cat> (782)
P3594

>  <Name> (782)
WAY-312666

>  <Synonyms> (782)
N/A

>  <Target> (782)
SIRT3

>  <Form> (782)
free base

>  <CAS> (782)
472980-46-4

>  <URL> (782)
N/A

$$$$
WAY-311318
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 29 31  2  0  0  0  0
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M  END
>  <Mol_ID> (783)
783

>  <Formula> (783)
C26H24N2O3

>  <MolWeight> (783)
412.48036

>  <Cat> (783)
P3591

>  <Name> (783)
WAY-311318

>  <Synonyms> (783)
N/A

>  <Target> (783)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (783)
free base

>  <CAS> (783)
333314-79-7

>  <URL> (783)
N/A

$$$$
WAY-312461
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (784)
784

>  <Formula> (784)
C25H22N2O4

>  <MolWeight> (784)
414.45318

>  <Cat> (784)
P3593

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WAY-312461

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N/A

>  <Target> (784)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (784)
free base

>  <CAS> (784)
420827-50-5

>  <URL> (784)
N/A

$$$$
WAY-311581
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (785)
785

>  <Formula> (785)
C23H25N3O4

>  <MolWeight> (785)
407.4623

>  <Cat> (785)
P3592

>  <Name> (785)
WAY-311581

>  <Synonyms> (785)
N/A

>  <Target> (785)
SIRT3

>  <Form> (785)
free base

>  <CAS> (785)
332125-86-7

>  <URL> (785)
N/A

$$$$
WAY-310766
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (786)
786

>  <Formula> (786)
C17H28N6O2

>  <MolWeight> (786)
348.44322

>  <Cat> (786)
P3590

>  <Name> (786)
WAY-310766

>  <Synonyms> (786)
N/A

>  <Target> (786)
PKC¦Â,PARP-1

>  <Form> (786)
free base

>  <CAS> (786)
442864-84-8

>  <URL> (786)
N/A

$$$$
WAY-118959-A
csChFnd80/06112513542D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (787)
787

>  <Formula> (787)
C16H14N4OS2

>  <MolWeight> (787)
342.43856

>  <Cat> (787)
P3545

>  <Name> (787)
WAY-118959-A

>  <Synonyms> (787)
N/A

>  <Target> (787)
others

>  <Form> (787)
free base

>  <CAS> (787)
315703-81-2

>  <URL> (787)
N/A

$$$$
WAY-249486
csChFnd80/06112513542D

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>  <Mol_ID> (788)
788

>  <Formula> (788)
C13H11ClN2O2S

>  <MolWeight> (788)
294.75664

>  <Cat> (788)
P3548

>  <Name> (788)
WAY-249486

>  <Synonyms> (788)
N/A

>  <Target> (788)
HDAC

>  <Form> (788)
free base

>  <CAS> (788)
119730-10-8

>  <URL> (788)
N/A

$$$$
WAY-296712
csChFnd80/06112513542D

 16 17  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (789)
789

>  <Formula> (789)
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>  <MolWeight> (789)
214.22

>  <Cat> (789)
P3560

>  <Name> (789)
WAY-296712

>  <Synonyms> (789)
N/A

>  <Target> (789)
histone deacetylase

>  <Form> (789)
free base

>  <CAS> (789)
88530-99-8

>  <URL> (789)
N/A

$$$$
WAY-297285
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (790)
790

>  <Formula> (790)
C19H23N3O3S

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>  <Synonyms> (790)
N/A

>  <Target> (790)
others

>  <Form> (790)
free base

>  <CAS> (790)
314043-73-7

>  <URL> (790)
N/A

$$$$
WAY-297357
csChFnd80/06112513542D

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  5  9  1  0  0  0  0
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  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
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 11 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 20  1  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (791)
791

>  <Formula> (791)
C22H19N3O5

>  <MolWeight> (791)
405.40336

>  <Cat> (791)
P3562

>  <Name> (791)
WAY-297357

>  <Synonyms> (791)
N/A

>  <Target> (791)
SIRT1

>  <Form> (791)
free base

>  <CAS> (791)
312943-99-0

>  <URL> (791)
N/A

$$$$
CL-406156
csChFnd80/06112513542D

 23 26  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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 10 16  1  0  0  0  0
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M  END
>  <Mol_ID> (792)
792

>  <Formula> (792)
C19H22N2O2

>  <MolWeight> (792)
310.39018

>  <Cat> (792)
P3540

>  <Name> (792)
CL-406156

>  <Synonyms> (792)
N/A

>  <Target> (792)
DNA Methyltransferase 1

>  <Form> (792)
free base

>  <CAS> (792)
91324-16-2

>  <URL> (792)
N/A

$$$$
WAY-234636
csChFnd80/06112513542D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  1  4  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 20 21  2  0  0  0  0
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  5  7  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> (793)
793

>  <Formula> (793)
C16H12N4O2

>  <MolWeight> (793)
292.29208

>  <Cat> (793)
P3547

>  <Name> (793)
WAY-234636

>  <Synonyms> (793)
N/A

>  <Target> (793)
Androgen Receptor

>  <Form> (793)
free base

>  <CAS> (793)
55589-09-8

>  <URL> (793)
N/A

$$$$
WAY-298378
csChFnd80/06112513542D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (794)
794

>  <Formula> (794)
C12H12N2O3S

>  <MolWeight> (794)
264.30028

>  <Cat> (794)
P3563

>  <Name> (794)
WAY-298378

>  <Synonyms> (794)
N/A

>  <Target> (794)
AMPK

>  <Form> (794)
free base

>  <CAS> (794)
335398-80-6

>  <URL> (794)
N/A

$$$$
WAY-298477
csChFnd80/06112513542D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.1414    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9669    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7201    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    8.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7933    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5834    7.6265    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
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 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
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 29 24  1  0  0  0  0
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 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> (795)
795

>  <Formula> (795)
C23H22N4O5

>  <MolWeight> (795)
434.44458

>  <Cat> (795)
P3564

>  <Name> (795)
WAY-298477

>  <Synonyms> (795)
N/A

>  <Target> (795)
PKC-b II and PKB dual 

>  <Form> (795)
free base

>  <CAS> (795)
1353673-63-8

>  <URL> (795)
N/A

$$$$
WAY-298851
csChFnd80/06112513542D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1973    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2510    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    2.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    2.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2510    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386   -0.1456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.4614    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8249    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131   -4.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
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  6 12  1  0  0  0  0
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  9 13  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (796)
796

>  <Formula> (796)
C15H9ClO3

>  <MolWeight> (796)
272.68316

>  <Cat> (796)
P3565

>  <Name> (796)
WAY-298851

>  <Synonyms> (796)
N/A

>  <Target> (796)
Pim-1,Anti-infection

>  <Form> (796)
free base

>  <CAS> (796)
53391-72-3

>  <URL> (796)
N/A

$$$$
WAY-299178
csChFnd80/06112513542D

 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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   -1.5379    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6172   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0448    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (797)
797

>  <Formula> (797)
C18H19N3O

>  <MolWeight> (797)
293.36296

>  <Cat> (797)
P3566

>  <Name> (797)
WAY-299178

>  <Synonyms> (797)
N/A

>  <Target> (797)
HDAC

>  <Form> (797)
free base

>  <CAS> (797)
1031349-21-9

>  <URL> (797)
N/A

$$$$
WAY-299510
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2138   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4310    0.8276    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  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (798)
798

>  <Formula> (798)
C16H17N5O2

>  <MolWeight> (798)
311.33848

>  <Cat> (798)
P3567

>  <Name> (798)
WAY-299510

>  <Synonyms> (798)
N/A

>  <Target> (798)
Anti-infection,STAT3

>  <Form> (798)
free base

>  <CAS> (798)
1007998-55-1

>  <URL> (798)
N/A

$$$$
WAY-325090
csChFnd80/06112513542D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8420    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1878    1.4429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1872    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1670   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
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  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (799)
799

>  <Formula> (799)
C19H15N3O2S2

>  <MolWeight> (799)
381.4713

>  <Cat> (799)
P3617

>  <Name> (799)
WAY-325090

>  <Synonyms> (799)
N/A

>  <Target> (799)
microRNA

>  <Form> (799)
free base

>  <CAS> (799)
1008280-11-2

>  <URL> (799)
N/A

$$$$
CL-414715
csChFnd80/06112513542D

 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
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  1  4  1  0  0  0  0
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  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
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 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> (800)
800

>  <Formula> (800)
C15H15N3O4

>  <MolWeight> (800)
301.2973

>  <Cat> (800)
P3541

>  <Name> (800)
CL-414715

>  <Synonyms> (800)
N/A

>  <Target> (800)
EZH2

>  <Form> (800)
free base

>  <CAS> (800)
107392-68-7

>  <URL> (800)
N/A

$$$$
CL-418030
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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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   -0.0394    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 12  1  0  0  0  0
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  6  7  2  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
  1  9  2  0  0  0  0
 18 19  1  0  0  0  0
  9  6  1  0  0  0  0
 18 20  2  0  0  0  0
  4  5  2  0  0  0  0
 19 21  2  0  0  0  0
  4 10  1  0  0  0  0
 21 22  1  0  0  0  0
  5  1  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
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 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (801)
801

>  <Formula> (801)
C19H20N4OS

>  <MolWeight> (801)
352.4533

>  <Cat> (801)
P3542

>  <Name> (801)
CL-418030

>  <Synonyms> (801)
N/A

>  <Target> (801)
MLL protein and menin interaction,P2Y12 re

>  <Form> (801)
free base

>  <CAS> (801)
1093748-54-9

>  <URL> (801)
N/A

$$$$
GI-558744
csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (802)
802

>  <Formula> (802)
C14H9NO3

>  <MolWeight> (802)
239.22616

>  <Cat> (802)
P3543

>  <Name> (802)
GI-558744

>  <Synonyms> (802)
N/A

>  <Target> (802)
HIF PHD,Anti-infection

>  <Form> (802)
free base

>  <CAS> (802)
1164452-80-5

>  <URL> (802)
N/A

$$$$
WAY-223539
csChFnd80/06112513542D

 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
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   -1.5583    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4141    1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5479    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
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  6  9  2  0  0  0  0
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M  END
>  <Mol_ID> (803)
803

>  <Formula> (803)
C14H15NO4

>  <MolWeight> (803)
261.2732

>  <Cat> (803)
P3546

>  <Name> (803)
WAY-223539

>  <Synonyms> (803)
N/A

>  <Target> (803)
BRD4

>  <Form> (803)
free base

>  <CAS> (803)
13729-79-8

>  <URL> (803)
N/A

$$$$
WAY-299582
csChFnd80/06112513542D

 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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  8 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (804)
804

>  <Formula> (804)
C8H12FN5O

>  <MolWeight> (804)
213.2121832

>  <Cat> (804)
P3568

>  <Name> (804)
WAY-299582

>  <Synonyms> (804)
N/A

>  <Target> (804)
KDM5A

>  <Form> (804)
free base

>  <CAS> (804)
118121-89-4

>  <URL> (804)
N/A

$$$$
WAY-299727
csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (805)
805

>  <Formula> (805)
C18H15N3O3S

>  <MolWeight> (805)
353.395

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P3569

>  <Name> (805)
WAY-299727

>  <Synonyms> (805)
N/A

>  <Target> (805)
histone deacetylase

>  <Form> (805)
free base

>  <CAS> (805)
332169-78-5

>  <URL> (805)
N/A

$$$$
WAY-299788
csChFnd80/06112513542D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (806)
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>  <Formula> (806)
C12H18N6O2

>  <MolWeight> (806)
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>  <Cat> (806)
P3570

>  <Name> (806)
WAY-299788

>  <Synonyms> (806)
N/A

>  <Target> (806)
PARP

>  <Form> (806)
free base

>  <CAS> (806)
50693-74-8

>  <URL> (806)
N/A

$$$$
WAY-299838
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (807)
807

>  <Formula> (807)
C18H19IN2O2

>  <MolWeight> (807)
422.26013

>  <Cat> (807)
P3571

>  <Name> (807)
WAY-299838

>  <Synonyms> (807)
N/A

>  <Target> (807)
HIF-1 

>  <Form> (807)
free base

>  <CAS> (807)
333357-56-5

>  <URL> (807)
N/A

$$$$
WAY-300386
csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (808)
808

>  <Formula> (808)
C18H19N3O

>  <MolWeight> (808)
293.36296

>  <Cat> (808)
P3572

>  <Name> (808)
WAY-300386

>  <Synonyms> (808)
N/A

>  <Target> (808)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (808)
free base

>  <CAS> (808)
125009-81-6

>  <URL> (808)
N/A

$$$$
WAY-300488
csChFnd80/06112513542D

 14 15  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> (809)
809

>  <Formula> (809)
C11H12N2S

>  <MolWeight> (809)
204.29138

>  <Cat> (809)
P3573

>  <Name> (809)
WAY-300488

>  <Synonyms> (809)
N/A

>  <Target> (809)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (809)
free base

>  <CAS> (809)
299953-94-9

>  <URL> (809)
N/A

$$$$
WAY-300662
csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (810)
810

>  <Formula> (810)
C20H12Cl2N2O2S

>  <MolWeight> (810)
415.29248

>  <Cat> (810)
P3574

>  <Name> (810)
WAY-300662

>  <Synonyms> (810)
N/A

>  <Target> (810)
Aurora Kinase

>  <Form> (810)
free base

>  <CAS> (810)
327051-69-4

>  <URL> (810)
N/A

$$$$
WAY-389228
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (811)
811

>  <Formula> (811)
C18H18N2O3

>  <MolWeight> (811)
310.34712

>  <Cat> (811)
P3638

>  <Name> (811)
WAY-389228

>  <Synonyms> (811)
N/A

>  <Target> (811)
others

>  <Form> (811)
free base

>  <CAS> (811)
300860-39-3

>  <URL> (811)
N/A

$$$$
WAY-389891
csChFnd80/06112513542D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 28 30  2  0  0  0  0
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M  END
>  <Mol_ID> (812)
812

>  <Formula> (812)
C22H23ClFN3O3

>  <MolWeight> (812)
431.8877232

>  <Cat> (812)
P3639

>  <Name> (812)
WAY-389891

>  <Synonyms> (812)
N/A

>  <Target> (812)
Rtt109

>  <Form> (812)
free base

>  <CAS> (812)
327091-55-4

>  <URL> (812)
N/A

$$$$
WAY-302914
csChFnd80/06112513542D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (813)
813

>  <Formula> (813)
C22H25N3O2

>  <MolWeight> (813)
363.4528

>  <Cat> (813)
P3576

>  <Name> (813)
WAY-302914

>  <Synonyms> (813)
N/A

>  <Target> (813)
others

>  <Form> (813)
free base

>  <CAS> (813)
313378-68-6

>  <URL> (813)
N/A

$$$$
WAY-303382
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (814)
815

>  <Formula> (814)
C19H21N5O

>  <MolWeight> (814)
335.40294

>  <Cat> (814)
P3578

>  <Name> (814)
WAY-303382

>  <Synonyms> (814)
N/A

>  <Target> (814)
STAT

>  <Form> (814)
free base

>  <CAS> (814)
487035-73-4

>  <URL> (814)
N/A

$$$$
WAY-303388
csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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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
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 15  7  2  0  0  0  0
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M  END
>  <Mol_ID> (815)
816

>  <Formula> (815)
C14H12N4O4

>  <MolWeight> (815)
300.26948

>  <Cat> (815)
P3579

>  <Name> (815)
WAY-303388

>  <Synonyms> (815)
N/A

>  <Target> (815)
EZH2

>  <Form> (815)
free base

>  <CAS> (815)
499210-92-3

>  <URL> (815)
N/A

$$$$
WAY-304388
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   -1.0266   -2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3114    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494    2.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3524    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  2  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
 25  7  1  0  0  0  0
  5 24  1  0  0  0  0
 25 12  1  0  0  0  0
  8  9  2  0  0  0  0
 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 21 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
 13 22  1  0  0  0  0
 22 14  1  0  0  0  0
 14 23  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (816)
817

>  <Formula> (816)
C21H17N3O

>  <MolWeight> (816)
327.37918

>  <Cat> (816)
P3580

>  <Name> (816)
WAY-304388

>  <Synonyms> (816)
N/A

>  <Target> (816)
sirtuin,histone acetyl transferase

>  <Form> (816)
free base

>  <CAS> (816)
305357-89-5

>  <URL> (816)
N/A

$$$$
WAY-304405
csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2103    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4414    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.3241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5138   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7483   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0621    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0276   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2897   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.6172    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
  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  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  9  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (817)
818

>  <Formula> (817)
C19H19NO2

>  <MolWeight> (817)
293.35966

>  <Cat> (817)
P3581

>  <Name> (817)
WAY-304405

>  <Synonyms> (817)
N/A

>  <Target> (817)
STAT,Plasmodium falciparum Equilibrative N

>  <Form> (817)
free base

>  <CAS> (817)
1351505-59-3

>  <URL> (817)
N/A

$$$$
WAY-304544
csChFnd80/06112513542D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3759   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.8276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2897   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.1414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2897   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1655   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4586    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    2.6207    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  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (818)
819

>  <Formula> (818)
C15H16N2O3

>  <MolWeight> (818)
272.29914

>  <Cat> (818)
P3582

>  <Name> (818)
WAY-304544

>  <Synonyms> (818)
N/A

>  <Target> (818)
sirtuin

>  <Form> (818)
free base

>  <CAS> (818)
347362-65-6

>  <URL> (818)
N/A

$$$$
WAY-304671
csChFnd80/06112513542D

 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
    2.2522    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626   -0.9585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.1587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 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
 14 15  2  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  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  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> (819)
820

>  <Formula> (819)
C16H9ClN2OS2

>  <MolWeight> (819)
344.83846

>  <Cat> (819)
P3583

>  <Name> (819)
WAY-304671

>  <Synonyms> (819)
N/A

>  <Target> (819)
SMYD3

>  <Form> (819)
free base

>  <CAS> (819)
330837-95-1

>  <URL> (819)
N/A

$$$$
WAY-305238
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4414   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5276    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2655    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2103    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586   -0.3862    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (820)
821

>  <Formula> (820)
C18H19N3O4S

>  <MolWeight> (820)
373.42616

>  <Cat> (820)
P3584

>  <Name> (820)
WAY-305238

>  <Synonyms> (820)
N/A

>  <Target> (820)
parp1

>  <Form> (820)
free base

>  <CAS> (820)
442648-52-4

>  <URL> (820)
N/A

$$$$
WAY-305341
csChFnd80/06112513542D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6343   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -1.8207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929   -1.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6584   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (821)
822

>  <Formula> (821)
C15H15N3O3S

>  <MolWeight> (821)
317.3629

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P3585

>  <Name> (821)
WAY-305341

>  <Synonyms> (821)
N/A

>  <Target> (821)
HDAC

>  <Form> (821)
free base

>  <CAS> (821)
353781-42-7

>  <URL> (821)
N/A

$$$$
WAY-383515
csChFnd80/06112513542D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (822)
823

>  <Formula> (822)
C17H18N2O3S

>  <MolWeight> (822)
330.40142

>  <Cat> (822)
P3636

>  <Name> (822)
WAY-383515

>  <Synonyms> (822)
N/A

>  <Target> (822)
BRD4

>  <Form> (822)
free base

>  <CAS> (822)
304685-40-3

>  <URL> (822)
N/A

$$$$
WAY-305857
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11 15  1  0  0  0  0
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 22 23  1  0  0  0  0
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 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (823)
824

>  <Formula> (823)
C15H24N6O2

>  <MolWeight> (823)
320.39006

>  <Cat> (823)
P3586

>  <Name> (823)
WAY-305857

>  <Synonyms> (823)
N/A

>  <Target> (823)
PKC¦Â, PARP-1 

>  <Form> (823)
free base

>  <CAS> (823)
313471-52-2

>  <URL> (823)
N/A

$$$$
WAY-324197
csChFnd80/06112513542D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 16  6  1  0  0  0  0
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  8 10  1  0  0  0  0
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  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> (824)
825

>  <Formula> (824)
C21H22N2O

>  <MolWeight> (824)
318.41218

>  <Cat> (824)
P3613

>  <Name> (824)
WAY-324197

>  <Synonyms> (824)
N/A

>  <Target> (824)
SIRT2

>  <Form> (824)
free base

>  <CAS> (824)
1005095-06-6

>  <URL> (824)
N/A

$$$$
WAY-385602
csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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 11 13  1  0  0  0  0
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 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
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 18  5  1  0  0  0  0
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 22 19  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (825)
826

>  <Formula> (825)
C20H19ClFN3O3

>  <MolWeight> (825)
403.8345632

>  <Cat> (825)
P3637

>  <Name> (825)
WAY-385602

>  <Synonyms> (825)
N/A

>  <Target> (825)
fungal histone acetyltransferase Rtt109

>  <Form> (825)
free base

>  <CAS> (825)
722478-59-3

>  <URL> (825)
N/A

$$$$
WL-164379
csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.5157   -3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (826)
827

>  <Formula> (826)
C19H21N3OS2

>  <MolWeight> (826)
371.51954

>  <Cat> (826)
P3676

>  <Name> (826)
WL-164379

>  <Synonyms> (826)
N/A

>  <Target> (826)
STAT3

>  <Form> (826)
free base

>  <CAS> (826)
311762-65-9

>  <URL> (826)
N/A

$$$$
WAY-308264
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 18 20  1  0  0  0  0
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 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (827)
828

>  <Formula> (827)
C14H14N4O2S

>  <MolWeight> (827)
302.35156

>  <Cat> (827)
P3587

>  <Name> (827)
WAY-308264

>  <Synonyms> (827)
N/A

>  <Target> (827)
histone acetyltransferase

>  <Form> (827)
free base

>  <CAS> (827)
364624-08-8

>  <URL> (827)
N/A

$$$$
WAY-309229-A
csChFnd80/06112513542D

 19 21  0  0  0  0  0  0  0  0999 V2000
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 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> (828)
829

>  <Formula> (828)
C14H13N3OS

>  <MolWeight> (828)
271.33752

>  <Cat> (828)
P3589

>  <Name> (828)
WAY-309229-A

>  <Synonyms> (828)
N/A

>  <Target> (828)
EGFR

>  <Form> (828)
free base

>  <CAS> (828)
799800-65-0

>  <URL> (828)
N/A

$$$$
WAY-353519
csChFnd80/06112513542D

 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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  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
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  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
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 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
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 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> (829)
831

>  <Formula> (829)
C20H21N3O3S2

>  <MolWeight> (829)
415.52904

>  <Cat> (829)
P3629

>  <Name> (829)
WAY-353519

>  <Synonyms> (829)
N/A

>  <Target> (829)
sirtuin

>  <Form> (829)
free base

>  <CAS> (829)
690247-68-8

>  <URL> (829)
N/A

$$$$
WAY-354875
csChFnd80/06112513542D

 25 29  0  0  0  0  0  0  0  0999 V2000
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 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
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M  END
>  <Mol_ID> (830)
833

>  <Formula> (830)
C17H9FN4O2S

>  <MolWeight> (830)
352.3423632

>  <Cat> (830)
P3631

>  <Name> (830)
WAY-354875

>  <Synonyms> (830)
N/A

>  <Target> (830)
SIRT1

>  <Form> (830)
free base

>  <CAS> (830)
720672-18-4

>  <URL> (830)
N/A

$$$$
WAY-358008
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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microRNA

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free base

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303018-40-8

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N/A

$$$$
WAY-359061
csChFnd80/06112513542D

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>  <Synonyms> (832)
N/A

>  <Target> (832)
microRNA

>  <Form> (832)
free base

>  <CAS> (832)
307509-59-7

>  <URL> (832)
N/A

$$$$
WAY-380064-A
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (833)
836

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C19H22ClNO2

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N/A

>  <Target> (833)
PRMT5

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free base

>  <CAS> (833)
380192-76-7

>  <URL> (833)
N/A

$$$$
WAY-382052
csChFnd80/06112513542D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
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837

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>  <MolWeight> (834)
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>  <Cat> (834)
P3635

>  <Name> (834)
WAY-382052

>  <Synonyms> (834)
N/A

>  <Target> (834)
microRNA

>  <Form> (834)
free base

>  <CAS> (834)
536713-36-7

>  <URL> (834)
N/A

$$$$
WAY-616361
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (835)
838

>  <Formula> (835)
C17H16N4O2

>  <MolWeight> (835)
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>  <Cat> (835)
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>  <Name> (835)
WAY-616361

>  <Synonyms> (835)
N/A

>  <Target> (835)
ARTD3,PARP-1

>  <Form> (835)
free base

>  <CAS> (835)
730949-09-4

>  <URL> (835)
N/A

$$$$
WL-231219
csChFnd80/06112513542D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (836)
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HDAC

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free base

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842955-63-9

>  <URL> (836)
N/A

$$$$
WAY-623944
csChFnd80/06112513542D

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>  <Mol_ID> (837)
840

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C23H20N4O3S

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WAY-623944

>  <Synonyms> (837)
N/A

>  <Target> (837)
microRNA

>  <Form> (837)
free base

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438599-31-6

>  <URL> (837)
N/A

$$$$
WAY-643116
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (838)
841

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C18H20N6

>  <MolWeight> (838)
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>  <Name> (838)
WAY-643116

>  <Synonyms> (838)
N/A

>  <Target> (838)
microRNA

>  <Form> (838)
free base

>  <CAS> (838)
850020-01-8

>  <URL> (838)
N/A

$$$$
WAY-334681-A
csChFnd80/06112513542D

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>  <Mol_ID> (839)
842

>  <Formula> (839)
C17H15N5OS

>  <MolWeight> (839)
337.3989

>  <Cat> (839)
P3620

>  <Name> (839)
WAY-334681-A

>  <Synonyms> (839)
N/A

>  <Target> (839)
STAT3

>  <Form> (839)
free base

>  <CAS> (839)
736950-05-3

>  <URL> (839)
N/A

$$$$
WAY-334725
csChFnd80/06112513542D

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>  <Mol_ID> (840)
843

>  <Formula> (840)
C16H18N2O2

>  <MolWeight> (840)
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>  <Cat> (840)
P3621

>  <Name> (840)
WAY-334725

>  <Synonyms> (840)
N/A

>  <Target> (840)
microRNA

>  <Form> (840)
free base

>  <CAS> (840)
742116-35-4

>  <URL> (840)
N/A

$$$$
WAY-625138
csChFnd80/06112513542D

 29 31  0  0  0  0  0  0  0  0999 V2000
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microRNA

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free base

>  <CAS> (841)
756865-61-9

>  <URL> (841)
N/A

$$$$
WAY-273429
csChFnd80/06112513542D

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>  <Mol_ID> (842)
845

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C11H8BrN5

>  <MolWeight> (842)
290.11872

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WAY-273429

>  <Synonyms> (842)
N/A

>  <Target> (842)
AMPK

>  <Form> (842)
free base

>  <CAS> (842)
525607-71-0

>  <URL> (842)
N/A

$$$$
WAY-273431
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (843)
846

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229.2131232

>  <Cat> (843)
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>  <Name> (843)
WAY-273431

>  <Synonyms> (843)
N/A

>  <Target> (843)
AMPK

>  <Form> (843)
free base

>  <CAS> (843)
525608-36-0

>  <URL> (843)
N/A

$$$$
WAY-277306
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (844)
847

>  <Formula> (844)
C19H15N5

>  <MolWeight> (844)
313.3559

>  <Cat> (844)
P3559

>  <Name> (844)
WAY-277306

>  <Synonyms> (844)
N/A

>  <Target> (844)
EZH2

>  <Form> (844)
free base

>  <CAS> (844)
763096-21-5

>  <URL> (844)
N/A

$$$$
WAY-335492
csChFnd80/06112513542D

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>  <Mol_ID> (845)
848

>  <Formula> (845)
C20H27FN2O2

>  <MolWeight> (845)
346.4389832

>  <Cat> (845)
P3622

>  <Name> (845)
WAY-335492

>  <Synonyms> (845)
N/A

>  <Target> (845)
microRNA

>  <Form> (845)
free base

>  <CAS> (845)
786725-13-1

>  <URL> (845)
N/A

$$$$
WAY-629450-A
csChFnd80/06112513542D

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>  <Mol_ID> (846)
849

>  <Formula> (846)
C16H17NO

>  <MolWeight> (846)
239.31228

>  <Cat> (846)
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>  <Name> (846)
WAY-629450-A

>  <Synonyms> (846)
N/A

>  <Target> (846)
HDAC

>  <Form> (846)
free base

>  <CAS> (846)
851901-67-2

>  <URL> (846)
N/A

$$$$
CL-224747
csChFnd80/06112513542D

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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (847)
850

>  <Formula> (847)
C9H8N2O

>  <MolWeight> (847)
160.17262

>  <Cat> (847)
P3539

>  <Name> (847)
CL-224747

>  <Synonyms> (847)
N/A

>  <Target> (847)
PARP

>  <Form> (847)
free base

>  <CAS> (847)
802981-45-9

>  <URL> (847)
N/A

$$$$
WAY-339491
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
 23 21  2  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
  4  6  1  0  0  0  0
 13 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (848)
851

>  <Formula> (848)
C21H17N3O3S

>  <MolWeight> (848)
391.44298

>  <Cat> (848)
P3624

>  <Name> (848)
WAY-339491

>  <Synonyms> (848)
N/A

>  <Target> (848)
histone acetyl transferase,sirtuin

>  <Form> (848)
free base

>  <CAS> (848)
863589-21-3

>  <URL> (848)
N/A

$$$$
WAY-339495
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  2  0  0  0  0
 22 19  2  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
  6  8  1  0  0  0  0
 13 25  2  0  0  0  0
 28 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (849)
852

>  <Formula> (849)
C21H17N3O3S

>  <MolWeight> (849)
391.44298

>  <Cat> (849)
P3625

>  <Name> (849)
WAY-339495

>  <Synonyms> (849)
N/A

>  <Target> (849)
histone acetyl transferase,sirtuin

>  <Form> (849)
free base

>  <CAS> (849)
863589-28-0

>  <URL> (849)
N/A

$$$$
WAY-339500
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2214    6.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6650    7.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3968    6.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    5.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2757    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026    9.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2343    8.6648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    6.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    6.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    8.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069    6.6858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    7.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    8.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7274    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7848    7.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9554    7.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    8.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 16 15  2  0  0  0  0
 15 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 11  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (850)
853

>  <Formula> (850)
C21H17N3O3S

>  <MolWeight> (850)
391.44298

>  <Cat> (850)
P3626

>  <Name> (850)
WAY-339500

>  <Synonyms> (850)
N/A

>  <Target> (850)
histone acetyl transferase,sirtuin

>  <Form> (850)
free base

>  <CAS> (850)
863589-44-0

>  <URL> (850)
N/A

$$$$
WAY-339503
csChFnd80/06112513542D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
  4  6  1  0  0  0  0
 11 23  2  0  0  0  0
 26 22  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (851)
854

>  <Formula> (851)
C20H15N3O2S

>  <MolWeight> (851)
361.417

>  <Cat> (851)
P3627

>  <Name> (851)
WAY-339503

>  <Synonyms> (851)
N/A

>  <Target> (851)
histone acetyl transferase,sirtuin

>  <Form> (851)
free base

>  <CAS> (851)
863589-52-0

>  <URL> (851)
N/A

$$$$
WAY-613308
csChFnd80/06112513542D

 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
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M  END
>  <Mol_ID> (852)
855

>  <Formula> (852)
C18H14O4

>  <MolWeight> (852)
294.30136

>  <Cat> (852)
P3651

>  <Name> (852)
WAY-613308

>  <Synonyms> (852)
N/A

>  <Target> (852)
HDAC

>  <Form> (852)
free base

>  <CAS> (852)
503040-22-0

>  <URL> (852)
N/A

$$$$
WAY-613419
csChFnd80/06112513542D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (853)
856

>  <Formula> (853)
C9H8N2OS

>  <MolWeight> (853)
192.23762

>  <Cat> (853)
P3652

>  <Name> (853)
WAY-613419

>  <Synonyms> (853)
N/A

>  <Target> (853)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (853)
free base

>  <CAS> (853)
14346-25-9

>  <URL> (853)
N/A

$$$$
WAY-630921
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (854)
857

>  <Formula> (854)
C19H19N3O2

>  <MolWeight> (854)
321.37306

>  <Cat> (854)
P3660

>  <Name> (854)
WAY-630921

>  <Synonyms> (854)
N/A

>  <Target> (854)
PARP

>  <Form> (854)
free base

>  <CAS> (854)
743451-47-0

>  <URL> (854)
N/A

$$$$
WAY-631878
csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  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 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
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 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  2  0  0  0  0
  9  8  1  0  0  0  0
  6  7  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (855)
858

>  <Formula> (855)
C15H16N4O3

>  <MolWeight> (855)
300.31254

>  <Cat> (855)
P3662

>  <Name> (855)
WAY-631878

>  <Synonyms> (855)
N/A

>  <Target> (855)
BET

>  <Form> (855)
free base

>  <CAS> (855)
568567-43-1

>  <URL> (855)
N/A

$$$$
WAY-650876
csChFnd80/06112513542D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8  2  1  0  0  0  0
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 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
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 20 16  1  0  0  0  0
  6  4  2  0  0  0  0
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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (856)
859

>  <Formula> (856)
C13H11N3O3S

>  <MolWeight> (856)
289.30974

>  <Cat> (856)
P3670

>  <Name> (856)
WAY-650876

>  <Synonyms> (856)
N/A

>  <Target> (856)
HDAC6

>  <Form> (856)
free base

>  <CAS> (856)
848065-95-2

>  <URL> (856)
N/A

$$$$
WAY-270360
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  7  8  2  0  0  0  0
 16 20  1  0  0  0  0
 28 27  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (857)
860

>  <Formula> (857)
C22H19N3O3

>  <MolWeight> (857)
373.40456

>  <Cat> (857)
P3549

>  <Name> (857)
WAY-270360

>  <Synonyms> (857)
N/A

>  <Target> (857)
histone acetyl transferase,sirtuin

>  <Form> (857)
free base

>  <CAS> (857)
476633-98-4

>  <URL> (857)
N/A

$$$$
WAY-270374
csChFnd80/06112513542D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  6  2  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (858)
861

>  <Formula> (858)
C15H14F2N2O3S

>  <MolWeight> (858)
340.3450664

>  <Cat> (858)
P3550

>  <Name> (858)
WAY-270374

>  <Synonyms> (858)
N/A

>  <Target> (858)
microRNA

>  <Form> (858)
free base

>  <CAS> (858)
476643-66-0

>  <URL> (858)
N/A

$$$$
WAY-270603
csChFnd80/06112513542D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    1.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 10  9  2  0  0  0  0
 22 18  2  0  0  0  0
 29 30  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (859)
862

>  <Formula> (859)
C23H21N3O4

>  <MolWeight> (859)
403.43054

>  <Cat> (859)
P3552

>  <Name> (859)
WAY-270603

>  <Synonyms> (859)
N/A

>  <Target> (859)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (859)
free base

>  <CAS> (859)
303141-65-3

>  <URL> (859)
N/A

$$$$
WAY-601310
csChFnd80/06112513542D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1436    0.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1436   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
  6 12  2  0  0  0  0
 11  5  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  3  8  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (860)
863

>  <Formula> (860)
C11H9N3O

>  <MolWeight> (860)
199.20866

>  <Cat> (860)
P3643

>  <Name> (860)
WAY-601310

>  <Synonyms> (860)
N/A

>  <Target> (860)
PARP

>  <Form> (860)
free base

>  <CAS> (860)
25468-50-2

>  <URL> (860)
N/A

$$$$
WAY-601411
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0208   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 18  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
  5  4  2  0  0  0  0
 25 16  1  0  0  0  0
 31 30  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (861)
864

>  <Formula> (861)
C23H26N4O4

>  <MolWeight> (861)
422.47694

>  <Cat> (861)
P3644

>  <Name> (861)
WAY-601411

>  <Synonyms> (861)
N/A

>  <Target> (861)
HAT,sirtuin

>  <Form> (861)
free base

>  <CAS> (861)
717120-17-7

>  <URL> (861)
N/A

$$$$
WAY-601037-A
csChFnd80/06112513542D

 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
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 19  9  1  0  0  0  0
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M  END
>  <Mol_ID> (862)
865

>  <Formula> (862)
C22H26N2O

>  <MolWeight> (862)
334.45464

>  <Cat> (862)
P3641

>  <Name> (862)
WAY-601037

>  <Synonyms> (862)
N/A

>  <Target> (862)
DNA Methyltransferase 1

>  <Form> (862)
free base

>  <CAS> (862)
300590-63-0

>  <URL> (862)
N/A

$$$$
WAY-601116
csChFnd80/06112513542D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 28 20  2  0  0  0  0
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M  END
>  <Mol_ID> (863)
866

>  <Formula> (863)
C23H18N2O4

>  <MolWeight> (863)
386.40002

>  <Cat> (863)
P3642

>  <Name> (863)
WAY-601116

>  <Synonyms> (863)
N/A

>  <Target> (863)
microRNA

>  <Form> (863)
free base

>  <CAS> (863)
353763-50-5

>  <URL> (863)
N/A

$$$$
WAY-601673
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (864)
867

>  <Formula> (864)
C20H26ClN3O

>  <MolWeight> (864)
359.89294

>  <Cat> (864)
P3645

>  <Name> (864)
WAY-601673

>  <Synonyms> (864)
N/A

>  <Target> (864)
HIF PHD,Prolylhydroxylase

>  <Form> (864)
free base

>  <CAS> (864)
380192-95-0

>  <URL> (864)
N/A

$$$$
WAY-615693
csChFnd80/06112513542D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 10 17  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
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 20 13  1  0  0  0  0
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 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> (865)
868

>  <Formula> (865)
C21H24N4S

>  <MolWeight> (865)
364.50706

>  <Cat> (865)
P3653

>  <Name> (865)
WAY-615693

>  <Synonyms> (865)
N/A

>  <Target> (865)
MLL protein and menin interaction

>  <Form> (865)
free base

>  <CAS> (865)
568575-51-9

>  <URL> (865)
N/A

$$$$
WAY-632889
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (866)
869

>  <Formula> (866)
C18H11BrN2O4

>  <MolWeight> (866)
399.19494

>  <Cat> (866)
P3663

>  <Name> (866)
WAY-632889

>  <Synonyms> (866)
N/A

>  <Target> (866)
microRNA

>  <Form> (866)
free base

>  <CAS> (866)
784169-89-7

>  <URL> (866)
N/A

$$$$
WAY-633558
csChFnd80/06112513542D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
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  9  4  1  0  0  0  0
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 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
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M  END
>  <Mol_ID> (867)
870

>  <Formula> (867)
C15H15N5S

>  <MolWeight> (867)
297.3781

>  <Cat> (867)
P3664

>  <Name> (867)
WAY-633558

>  <Synonyms> (867)
N/A

>  <Target> (867)
MLL protein and menin interaction

>  <Form> (867)
free base

>  <CAS> (867)
786715-29-5

>  <URL> (867)
N/A

$$$$
WAY-652291
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  8  1  1  0  0  0  0
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 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> (868)
871

>  <Formula> (868)
C18H17N3O4

>  <MolWeight> (868)
339.34528

>  <Cat> (868)
P3671

>  <Name> (868)
WAY-652291

>  <Synonyms> (868)
N/A

>  <Target> (868)
BET Bromodomain

>  <Form> (868)
free base

>  <CAS> (868)
854137-39-6

>  <URL> (868)
N/A

$$$$
WAY-652941
csChFnd80/06112513542D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
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 22  9  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
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 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (869)
872

>  <Formula> (869)
C19H20N4O4S

>  <MolWeight> (869)
400.4515

>  <Cat> (869)
P3672

>  <Name> (869)
WAY-652941

>  <Synonyms> (869)
N/A

>  <Target> (869)
PARP,Rac1

>  <Form> (869)
free base

>  <CAS> (869)
854022-49-4

>  <URL> (869)
N/A

$$$$
WAY-271933
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  2  0  0  0  0
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 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
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (870)
873

>  <Formula> (870)
C15H15N5O2S

>  <MolWeight> (870)
329.3769

>  <Cat> (870)
P3553

>  <Name> (870)
WAY-271933

>  <Synonyms> (870)
N/A

>  <Target> (870)
DOT1L

>  <Form> (870)
free base

>  <CAS> (870)
612525-79-8

>  <URL> (870)
N/A

$$$$
WAY-272172
csChFnd80/06112513542D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
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 10  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
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 21  7  1  0  0  0  0
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 17 14  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (871)
875

>  <Formula> (871)
C17H18N2O3S

>  <MolWeight> (871)
330.40142

>  <Cat> (871)
P3555

>  <Name> (871)
WAY-272172

>  <Synonyms> (871)
N/A

>  <Target> (871)
microRNA

>  <Form> (871)
free base

>  <CAS> (871)
702650-31-5

>  <URL> (871)
N/A

$$$$
WAY-272277
csChFnd80/06112513542D

 31 34  0  0  0  0  0  0  0  0999 V2000
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    6.4366   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   11.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   11.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   10.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9281   10.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   11.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   10.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8930   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   11.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 16 31  1  0  0  0  0
 27 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (872)
876

>  <Formula> (872)
C24H23N3O4

>  <MolWeight> (872)
417.45712

>  <Cat> (872)
P3556

>  <Name> (872)
WAY-272277

>  <Synonyms> (872)
N/A

>  <Target> (872)
histone acetyl transferase,sirtuin

>  <Form> (872)
free base

>  <CAS> (872)
708995-11-3

>  <URL> (872)
N/A

$$$$
WAY-320144
csChFnd80/06112513542D

 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
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    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
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    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
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    0.5659   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6142   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038   -2.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6038   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -3.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (873)
877

>  <Formula> (873)
C23H21N3O4

>  <MolWeight> (873)
403.43054

>  <Cat> (873)
P3595

>  <Name> (873)
WAY-320144

>  <Synonyms> (873)
N/A

>  <Target> (873)
histone acetyl transferase,sirtuin

>  <Form> (873)
free base

>  <CAS> (873)
313275-18-2

>  <URL> (873)
N/A

$$$$
WAY-320391
csChFnd80/06112513542D

 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
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    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
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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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  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> (874)
878

>  <Formula> (874)
C20H18ClN3O2S

>  <MolWeight> (874)
399.89382

>  <Cat> (874)
P3596

>  <Name> (874)
WAY-320391

>  <Synonyms> (874)
N/A

>  <Target> (874)
DNA Methyltransferase 1

>  <Form> (874)
free base

>  <CAS> (874)
488825-25-8

>  <URL> (874)
N/A

$$$$
WAY-601986
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8583    0.0833    0.0000 S   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> (875)
879

>  <Formula> (875)
C19H14N4OS

>  <MolWeight> (875)
346.40566

>  <Cat> (875)
P3646

>  <Name> (875)
WAY-601986

>  <Synonyms> (875)
N/A

>  <Target> (875)
PARP

>  <Form> (875)
free base

>  <CAS> (875)
375394-80-2

>  <URL> (875)
N/A

$$$$
WAY-603231
csChFnd80/06112513542D

 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
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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
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  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> (876)
880

>  <Formula> (876)
C18H10N2O2S

>  <MolWeight> (876)
318.3492

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P3647

>  <Name> (876)
WAY-603231

>  <Synonyms> (876)
N/A

>  <Target> (876)
sirtuin,HAT

>  <Form> (876)
free base

>  <CAS> (876)
327104-77-8

>  <URL> (876)
N/A

$$$$
SD-57881
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (877)
881

>  <Formula> (877)
C15H13N3O3S2

>  <MolWeight> (877)
347.41202

>  <Cat> (877)
P3544

>  <Name> (877)
SD-57881

>  <Synonyms> (877)
N/A

>  <Target> (877)
zinc metalloenzyme

>  <Form> (877)
free base

>  <CAS> (877)
349415-77-6

>  <URL> (877)
N/A

$$$$
WAY-320884
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (878)
882

>  <Formula> (878)
C16H19N3O4S

>  <MolWeight> (878)
349.40476

>  <Cat> (878)
P3597

>  <Name> (878)
WAY-320884

>  <Synonyms> (878)
N/A

>  <Target> (878)
sirtuin 5

>  <Form> (878)
free base

>  <CAS> (878)
450356-20-4

>  <URL> (878)
N/A

$$$$
WAY-321539
csChFnd80/06112513542D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (879)
883

>  <Formula> (879)
C15H15N5O2

>  <MolWeight> (879)
297.3119

>  <Cat> (879)
P3598

>  <Name> (879)
WAY-321539

>  <Synonyms> (879)
N/A

>  <Target> (879)
STAT3

>  <Form> (879)
free base

>  <CAS> (879)
332074-13-2

>  <URL> (879)
N/A

$$$$
WAY-321927
csChFnd80/06112513542D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (880)
884

>  <Formula> (880)
C25H25N5O

>  <MolWeight> (880)
411.4989

>  <Cat> (880)
P3599

>  <Name> (880)
WAY-321927

>  <Synonyms> (880)
N/A

>  <Target> (880)
EZH2

>  <Form> (880)
free base

>  <CAS> (880)
342780-77-2

>  <URL> (880)
N/A

$$$$
WAY-321944
csChFnd80/06112513542D

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  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (881)
885

>  <Formula> (881)
C17H16N2O3

>  <MolWeight> (881)
296.32054

>  <Cat> (881)
P3600

>  <Name> (881)
WAY-321944

>  <Synonyms> (881)
N/A

>  <Target> (881)
BRD4,Anti-infection

>  <Form> (881)
free base

>  <CAS> (881)
10001-31-7

>  <URL> (881)
N/A

$$$$
WAY-322593
csChFnd80/06112513542D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 12  6  1  0  0  0  0
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 14 13  1  0  0  0  0
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 16  5  1  0  0  0  0
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 10  4  1  0  0  0  0
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 17 20  1  0  0  0  0
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M  END
>  <Mol_ID> (882)
886

>  <Formula> (882)
C19H17ClN2O

>  <MolWeight> (882)
324.80408

>  <Cat> (882)
P3601

>  <Name> (882)
WAY-322593

>  <Synonyms> (882)
N/A

>  <Target> (882)
HIF PHD,apoptosis

>  <Form> (882)
free base

>  <CAS> (882)
501017-82-9

>  <URL> (882)
N/A

$$$$
WAY-322757
csChFnd80/06112513542D

 33 37  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
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 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
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 27 12  1  0  0  0  0
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 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
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 33 32  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (883)
887

>  <Formula> (883)
C25H21N5O3

>  <MolWeight> (883)
439.46594

>  <Cat> (883)
P3602

>  <Name> (883)
WAY-322757

>  <Synonyms> (883)
N/A

>  <Target> (883)
MLL-menin interaction

>  <Form> (883)
free base

>  <CAS> (883)
683806-57-7

>  <URL> (883)
N/A

$$$$
WAY-323091
csChFnd80/06112513542D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
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 13  8  2  0  0  0  0
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 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
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  4  6  1  0  0  0  0
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M  END
>  <Mol_ID> (884)
888

>  <Formula> (884)
C22H15Cl2N3O2

>  <MolWeight> (884)
424.2794

>  <Cat> (884)
P3605

>  <Name> (884)
WAY-323091

>  <Synonyms> (884)
N/A

>  <Target> (884)
PARP

>  <Form> (884)
free base

>  <CAS> (884)
684234-55-7

>  <URL> (884)
N/A

$$$$
WAY-323093
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (885)
890

>  <Formula> (885)
C22H15BrClN3O2

>  <MolWeight> (885)
468.7304

>  <Cat> (885)
P3607

>  <Name> (885)
WAY-323093

>  <Synonyms> (885)
N/A

>  <Target> (885)
PARP

>  <Form> (885)
free base

>  <CAS> (885)
684234-57-9

>  <URL> (885)
N/A

$$$$
WAY-394670
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    7.7876    8.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    7.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0769    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051    7.4723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5089    6.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   12.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314   11.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718   11.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906   10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (886)
891

>  <Formula> (886)
C19H14N4OS

>  <MolWeight> (886)
346.40566

>  <Cat> (886)
P3640

>  <Name> (886)
WAY-394670

>  <Synonyms> (886)
N/A

>  <Target> (886)
PARP

>  <Form> (886)
free base

>  <CAS> (886)
378786-16-4

>  <URL> (886)
N/A

$$$$
WAY-603656
csChFnd80/06112513542D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0625   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
  5  8  2  0  0  0  0
 10  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (887)
892

>  <Formula> (887)
C11H8N2OS2

>  <MolWeight> (887)
248.32402

>  <Cat> (887)
P3648

>  <Name> (887)
WAY-603656

>  <Synonyms> (887)
N/A

>  <Target> (887)
histone acetyltransferases,Nox enzyme

>  <Form> (887)
free base

>  <CAS> (887)
717118-15-5

>  <URL> (887)
N/A

$$$$
WAY-603657
csChFnd80/06112513542D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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> (888)
893

>  <Formula> (888)
C14H8N2OS2

>  <MolWeight> (888)
284.35612

>  <Cat> (888)
P3649

>  <Name> (888)
WAY-603657

>  <Synonyms> (888)
N/A

>  <Target> (888)
histone acetyltransferases

>  <Form> (888)
free base

>  <CAS> (888)
100527-13-7

>  <URL> (888)
N/A

$$$$
WAY-638078
csChFnd80/06112513542D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0542   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6250    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  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> (889)
894

>  <Formula> (889)
C20H22N4O2

>  <MolWeight> (889)
350.41428

>  <Cat> (889)
P3665

>  <Name> (889)
WAY-638078

>  <Synonyms> (889)
N/A

>  <Target> (889)
PARP

>  <Form> (889)
free base

>  <CAS> (889)
794562-86-0

>  <URL> (889)
N/A

$$$$
WAY-655845
csChFnd80/06112513542D

 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
    0.9292   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2292    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7167    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 19  9  1  0  0  0  0
 24 25  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (890)
895

>  <Formula> (890)
C17H21N3O3S2

>  <MolWeight> (890)
379.49694

>  <Cat> (890)
P3673

>  <Name> (890)
WAY-655845

>  <Synonyms> (890)
N/A

>  <Target> (890)
SIRT2

>  <Form> (890)
free base

>  <CAS> (890)
865267-78-3

>  <URL> (890)
N/A

$$$$
WAY-657361
csChFnd80/06112513542D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (891)
896

>  <Formula> (891)
C17H15N3O4

>  <MolWeight> (891)
325.3187

>  <Cat> (891)
P3674

>  <Name> (891)
WAY-657361

>  <Synonyms> (891)
N/A

>  <Target> (891)
BET Bromodomain

>  <Form> (891)
free base

>  <CAS> (891)
852957-78-9

>  <URL> (891)
N/A

$$$$
WAY-323744
csChFnd80/06112513542D

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 10 20  1  0  0  0  0
 11  4  2  0  0  0  0
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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (892)
897

>  <Formula> (892)
C20H15N3O5S

>  <MolWeight> (892)
409.4152

>  <Cat> (892)
P3609

>  <Name> (892)
WAY-323744

>  <Synonyms> (892)
N/A

>  <Target> (892)
EZH2

>  <Form> (892)
free base

>  <CAS> (892)
854134-90-0

>  <URL> (892)
N/A

$$$$
WAY-324030
csChFnd80/06112513542D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (893)
898

>  <Formula> (893)
C15H16N2O

>  <MolWeight> (893)
240.30034

>  <Cat> (893)
P3610

>  <Name> (893)
WAY-324030

>  <Synonyms> (893)
N/A

>  <Target> (893)
CBP/EP300 

>  <Form> (893)
free base

>  <CAS> (893)
92579-34-5

>  <URL> (893)
N/A

$$$$
WAY-324142
csChFnd80/06112513542D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (894)
899

>  <Formula> (894)
C19H15N3O2S

>  <MolWeight> (894)
349.4063

>  <Cat> (894)
P3611

>  <Name> (894)
WAY-324142

>  <Synonyms> (894)
N/A

>  <Target> (894)
HAT,sirtuin

>  <Form> (894)
free base

>  <CAS> (894)
667910-69-2

>  <URL> (894)
N/A

$$$$
WAY-324168
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (895)
900

>  <Formula> (895)
C20H18N2O6

>  <MolWeight> (895)
382.36672

>  <Cat> (895)
P3612

>  <Name> (895)
WAY-324168

>  <Synonyms> (895)
N/A

>  <Target> (895)
microtubule

>  <Form> (895)
free base

>  <CAS> (895)
663214-48-0

>  <URL> (895)
N/A

$$$$
WAY-324205
csChFnd80/06112513542D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (896)
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>  <Synonyms> (896)
N/A

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SIRT2

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free base

>  <CAS> (896)
1005095-05-5

>  <URL> (896)
N/A

$$$$
WAY-324359
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (897)
902

>  <Formula> (897)
C23H18ClN3O2

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403.86092

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P3615

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WAY-324359

>  <Synonyms> (897)
N/A

>  <Target> (897)
PARP

>  <Form> (897)
free base

>  <CAS> (897)
836640-15-4

>  <URL> (897)
N/A

$$$$
WAY-324979
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (898)
903

>  <Formula> (898)
C14H13ClN4S

>  <MolWeight> (898)
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>  <Cat> (898)
P3616

>  <Name> (898)
WAY-324979

>  <Synonyms> (898)
N/A

>  <Target> (898)
MicroRNA

>  <Form> (898)
free base

>  <CAS> (898)
221120-57-6

>  <URL> (898)
N/A

$$$$
WAY-620473
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (899)
904

>  <Formula> (899)
C17H20N4O3

>  <MolWeight> (899)
328.3657

>  <Cat> (899)
P3655

>  <Name> (899)
WAY-620473

>  <Synonyms> (899)
N/A

>  <Target> (899)
PARP-1

>  <Form> (899)
free base

>  <CAS> (899)
743451-55-0

>  <URL> (899)
N/A

$$$$
WAY-639320
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (900)
905

>  <Formula> (900)
C17H16N8S

>  <MolWeight> (900)
364.42754

>  <Cat> (900)
P3666

>  <Name> (900)
WAY-639320

>  <Synonyms> (900)
N/A

>  <Target> (900)
MicroRNA

>  <Form> (900)
free base

>  <CAS> (900)
796060-12-3

>  <URL> (900)
N/A

$$$$
WAY-639432
csChFnd80/06112513542D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (901)
906

>  <Formula> (901)
C21H19NO2

>  <MolWeight> (901)
317.38106

>  <Cat> (901)
P3667

>  <Name> (901)
WAY-639432

>  <Synonyms> (901)
N/A

>  <Target> (901)
EZH2

>  <Form> (901)
free base

>  <CAS> (901)
796050-78-7

>  <URL> (901)
N/A

$$$$
WAY-659224
csChFnd80/06112513542D

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M  END
>  <Mol_ID> (902)
907

>  <Formula> (902)
C16H18N2O4

>  <MolWeight> (902)
302.32512

>  <Cat> (902)
P3675

>  <Name> (902)
WAY-659224

>  <Synonyms> (902)
N/A

>  <Target> (902)
HDAC

>  <Form> (902)
free base

>  <CAS> (902)
864853-56-5

>  <URL> (902)
N/A

$$$$
WAY-326107
csChFnd80/06112513542D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (903)
908

>  <Formula> (903)
C17H16F2N4O2

>  <MolWeight> (903)
346.3313464

>  <Cat> (903)
P3618

>  <Name> (903)
WAY-326107

>  <Synonyms> (903)
N/A

>  <Target> (903)
MicroRNA

>  <Form> (903)
free base

>  <CAS> (903)
869714-54-5

>  <URL> (903)
N/A

$$$$
WAY-327520
csChFnd80/06112513542D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (904)
909

>  <Formula> (904)
C17H18N4O

>  <MolWeight> (904)
294.35102

>  <Cat> (904)
P3619

>  <Name> (904)
WAY-327520

>  <Synonyms> (904)
N/A

>  <Target> (904)
BRD4-TAF1

>  <Form> (904)
free base

>  <CAS> (904)
876710-97-3

>  <URL> (904)
N/A

$$$$
WAY-608116
csChFnd80/06112513542D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (905)
910

>  <Formula> (905)
C14H10N4S

>  <MolWeight> (905)
266.321

>  <Cat> (905)
P3650

>  <Name> (905)
WAY-608116

>  <Synonyms> (905)
N/A

>  <Target> (905)
BRD4

>  <Form> (905)
free base

>  <CAS> (905)
380546-70-3

>  <URL> (905)
N/A

$$$$
WAY-621850
csChFnd80/06112513542D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    1.8333    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    4.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    4.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    5.2708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
 17 18  1  0  0  0  0
 18  5  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25  4  1  0  0  0  0
 26  6  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  2  0  0  0  0
 26 28  2  0  0  0  0
  8 14  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (906)
911

>  <Formula> (906)
C21H21FN4O2

>  <MolWeight> (906)
380.4154432

>  <Cat> (906)
P3656

>  <Name> (906)
WAY-621850

>  <Synonyms> (906)
N/A

>  <Target> (906)
PARP

>  <Form> (906)
free base

>  <CAS> (906)
745035-11-4

>  <URL> (906)
N/A

$$$$
WAY-641015
csChFnd80/06112513542D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16 13  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  7  4  2  0  0  0  0
  9  6  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (907)
912

>  <Formula> (907)
C16H15N3O2

>  <MolWeight> (907)
281.3092

>  <Cat> (907)
P3668

>  <Name> (907)
WAY-641015

>  <Synonyms> (907)
N/A

>  <Target> (907)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (907)
free base

>  <CAS> (907)
851175-95-6

>  <URL> (907)
N/A

$$$$
