Y-27632 2HCL.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (1)
33

>  <Formula> (1)
C14H23Cl2N3O

>  <MolWeight> (1)
320.25792

>  <Cat> (1)
S1049

>  <Name> (1)
Y-27632 2HCl

>  <Synonyms> (1)
N/A

>  <Target> (1)
Autophagy,ROCK

>  <Form> (1)
Dihydrochloride

>  <CAS> (1)
129830-38-2

>  <URL> (1)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (2)
42

>  <Formula> (2)
C22H16N4O3

>  <MolWeight> (2)
384.38744

>  <Cat> (2)
S1067

>  <Name> (2)
SB431542

>  <Synonyms> (2)
N/A

>  <Target> (2)
TGF-beta/Smad

>  <Form> (2)
free base

>  <CAS> (2)
301836-41-9

>  <URL> (2)
http://selleckchem.com/products/SB-431542.html

$$$$
1.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (3)
45

>  <Formula> (3)
C19H12Cl2N2O2

>  <MolWeight> (3)
371.21678

>  <Cat> (3)
S1075

>  <Name> (3)
SB216763

>  <Synonyms> (3)
N/A

>  <Target> (3)
Autophagy,GSK-3

>  <Form> (3)
free base

>  <CAS> (3)
280744-09-4

>  <URL> (3)
http://selleckchem.com/products/SB-216763.html

$$$$
SB203580.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (4)
46

>  <Formula> (4)
C21H16FN3OS

>  <MolWeight> (4)
377.4346432

>  <Cat> (4)
S1076

>  <Name> (4)
Adezmapimod (SB203580)

>  <Synonyms> (4)
RWJ 64809, PB 203580

>  <Target> (4)
Mitophagy,p38 MAPK

>  <Form> (4)
Free Base

>  <CAS> (4)
152121-47-6

>  <URL> (4)
http://selleckchem.com/products/SB-203580.html

$$$$
untitled.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (5)
50

>  <Formula> (5)
C19H14Cl2N2O3S

>  <MolWeight> (5)
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>  <Cat> (5)
S1082

>  <Name> (5)
Vismodegib (GDC-0449)

>  <Synonyms> (5)
GDC-0449

>  <Target> (5)
Hedgehog/Smoothened

>  <Form> (5)
free base

>  <CAS> (5)
879085-55-9

>  <URL> (5)
http://selleckchem.com/products/GDC-0449.html

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untitled.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (6)
66

>  <Formula> (6)
C19H17NO3

>  <MolWeight> (6)
307.34318

>  <Cat> (6)
S1105

>  <Name> (6)
LY294002

>  <Synonyms> (6)
SF 1101, NSC 697286

>  <Target> (6)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (6)
free base

>  <CAS> (6)
154447-36-6

>  <URL> (6)
http://selleckchem.com/products/LY294002.html

$$$$
AT9283.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (7)
81

>  <Formula> (7)
C19H23N7O2

>  <MolWeight> (7)
381.43162

>  <Cat> (7)
S1134

>  <Name> (7)
AT9283

>  <Synonyms> (7)
N/A

>  <Target> (7)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (7)
free base

>  <CAS> (7)
896466-04-9

>  <URL> (7)
http://selleckchem.com/products/AT9283.html

$$$$
S31-201.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (8)
94

>  <Formula> (8)
C16H15NO7S

>  <MolWeight> (8)
365.3578

>  <Cat> (8)
S1155

>  <Name> (8)
S3I-201

>  <Synonyms> (8)
NSC 74859

>  <Target> (8)
STAT

>  <Form> (8)
free base

>  <CAS> (8)
501919-59-1

>  <URL> (8)
http://selleckchem.com/products/S31-201.html

$$$$
untitled.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (9)
101

>  <Formula> (9)
C21H20N4

>  <MolWeight> (9)
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>  <Cat> (9)
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>  <Name> (9)
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>  <Synonyms> (9)
N/A

>  <Target> (9)
E3 Ligase ,p53

>  <Form> (9)
free base

>  <CAS> (9)
881202-45-5

>  <URL> (9)
http://selleckchem.com/products/JNJ-26854165.html

$$$$
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M  END
>  <Mol_ID> (10)
108

>  <Formula> (10)
C14H11F3N2OS

>  <MolWeight> (10)
312.3101496

>  <Cat> (10)
S1180

>  <Name> (10)
XAV-939

>  <Synonyms> (10)
NVP-XAV939

>  <Target> (10)
PARP,Wnt/beta-catenin

>  <Form> (10)
free base

>  <CAS> (10)
284028-89-3

>  <URL> (10)
http://selleckchem.com/products/XAV-939.html

$$$$
BMS-708163.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (11)
154

>  <Formula> (11)
C20H17ClF4N4O4S

>  <MolWeight> (11)
520.8849928

>  <Cat> (11)
S1262

>  <Name> (11)
Avagacestat (BMS-708163)

>  <Synonyms> (11)
N/A

>  <Target> (11)
Beta Amyloid,Notch,Secretase

>  <Form> (11)
free base

>  <CAS> (11)
1146699-66-2

>  <URL> (11)
http://selleckchem.com/products/BMS-708163.html

$$$$
PD173074.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (12)
155

>  <Formula> (12)
C28H41N7O3

>  <MolWeight> (12)
523.67024

>  <Cat> (12)
S1264

>  <Name> (12)
PD173074

>  <Synonyms> (12)
N/A

>  <Target> (12)
Apoptosis related,FGFR,VEGFR

>  <Form> (12)
free base

>  <CAS> (12)
219580-11-7

>  <URL> (12)
http://selleckchem.com/products/PD-173074.html

$$$$
Dexamethasone.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (13)
212

>  <Formula> (13)
C22H29FO5

>  <MolWeight> (13)
392.4610632

>  <Cat> (13)
S1322

>  <Name> (13)
Dexamethasone (MK-125)

>  <Synonyms> (13)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (13)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (13)
free base

>  <CAS> (13)
50-02-2

>  <URL> (13)
http://selleckchem.com/products/Dexamethasone.html

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (14)
217

>  <Formula> (14)
C17H19ClF3NO

>  <MolWeight> (14)
345.7870696

>  <Cat> (14)
S1333

>  <Name> (14)
Fluoxetine (Lilly 110140) HCl

>  <Synonyms> (14)
Prozac, Sarafem,LY-110140

>  <Target> (14)
5-HT Receptor

>  <Form> (14)
Hydrochloride

>  <CAS> (14)
56296-78-7

>  <URL> (14)
http://selleckchem.com/products/Fluoxetine-hydrochloride.html

$$$$
resveratrol.cdx
csChFnd80/12102409592D

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C14H12O3

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228.24328

>  <Cat> (15)
S1396

>  <Name> (15)
Resveratrol (SRT501)

>  <Synonyms> (15)
trans-Resveratrol,SRT501

>  <Target> (15)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (15)
free base

>  <CAS> (15)
501-36-0

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

$$$$
Thiazovivin.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (16)
280

>  <Formula> (16)
C15H13N5OS

>  <MolWeight> (16)
311.36162

>  <Cat> (16)
S1459

>  <Name> (16)
Thiazovivin

>  <Synonyms> (16)
N/A

>  <Target> (16)
ROCK

>  <Form> (16)
free base

>  <CAS> (16)
1226056-71-8

>  <URL> (16)
http://selleckchem.com/products/Thiazovivin.html

$$$$
sp600125.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (17)
281

>  <Formula> (17)
C14H8N2O

>  <MolWeight> (17)
220.22612

>  <Cat> (17)
S1460

>  <Name> (17)
SP600125

>  <Synonyms> (17)
Nsc75890

>  <Target> (17)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (17)
free base

>  <CAS> (17)
129-56-6

>  <URL> (17)
http://selleckchem.com/products/SP600125.html

$$$$
GSK429286A.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (18)
289

>  <Formula> (18)
C21H16F4N4O2

>  <MolWeight> (18)
432.3709528

>  <Cat> (18)
S1474

>  <Name> (18)
GSK429286A

>  <Synonyms> (18)
RHO-15

>  <Target> (18)
ROCK

>  <Form> (18)
free base

>  <CAS> (18)
864082-47-3

>  <URL> (18)
http://selleckchem.com/products/GSK429286A.html

$$$$
SB525334.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (19)
291

>  <Formula> (19)
C21H21N5

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>  <Cat> (19)
S1476

>  <Name> (19)
SB525334

>  <Synonyms> (19)
N/A

>  <Target> (19)
TGF-beta/Smad

>  <Form> (19)
free base

>  <CAS> (19)
356559-20-1

>  <URL> (19)
http://selleckchem.com/products/SB-525334.html

$$$$
Fludarabine.cdx
csChFnd80/12102409592D

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    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1306    2.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2281    6.3895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2281    1.5482    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    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
  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  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
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  5  6  1  1  0  0  0
  2 17  1  1  0  0  0
  4 18  1  1  0  0  0
 17 19  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (20)
303

>  <Formula> (20)
C10H12FN5O4

>  <MolWeight> (20)
285.2317832

>  <Cat> (20)
S1491

>  <Name> (20)
Fludarabine (NSC 118218)

>  <Synonyms> (20)
FaraA, Fludarabinum, NSC 118218

>  <Target> (20)
Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite,STAT

>  <Form> (20)
Free Base

>  <CAS> (20)
21679-14-1

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

$$$$
AT7519.cdx
csChFnd80/12102409592D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   10.0746    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7431    2.6296    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
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (21)
313

>  <Formula> (21)
C16H17Cl2N5O2

>  <MolWeight> (21)
382.24448

>  <Cat> (21)
S1524

>  <Name> (21)
AT7519

>  <Synonyms> (21)
N/A

>  <Target> (21)
Apoptosis related,CDK,GSK-3

>  <Form> (21)
Free Base

>  <CAS> (21)
844442-38-2

>  <URL> (21)
http://selleckchem.com/products/AT7519.html

$$$$
Fasudil HCl.cdx
csChFnd80/12102409592D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 15 16  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
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (22)
346

>  <Formula> (22)
C14H18ClN3O2S

>  <MolWeight> (22)
327.82962

>  <Cat> (22)
S1573

>  <Name> (22)
Fasudil (HA-1077) HCl

>  <Synonyms> (22)
AT-877,HA-1077 HCl

>  <Target> (22)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (22)
Hydrochloride

>  <CAS> (22)
105628-07-7

>  <URL> (22)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
Semagacestat.cdx
csChFnd80/12102409592D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6289    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2 25  1  6  0  0  0
  8 26  1  6  0  0  0
M  END
>  <Mol_ID> (23)
352

>  <Formula> (23)
C19H27N3O4

>  <MolWeight> (23)
361.43538

>  <Cat> (23)
S1594

>  <Name> (23)
Semagacestat (LY450139)

>  <Synonyms> (23)
N/A

>  <Target> (23)
Beta Amyloid,Notch,Secretase

>  <Form> (23)
free base

>  <CAS> (23)
425386-60-3

>  <URL> (23)
http://selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/12102409592D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 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> (24)
354

>  <Formula> (24)
C27H30Cl2F2N6O

>  <MolWeight> (24)
563.4695064

>  <Cat> (24)
S2686

>  <Name> (24)
NVP-BSK805 2HCl

>  <Synonyms> (24)
BSK805

>  <Target> (24)
JAK

>  <Form> (24)
HCl

>  <CAS> (24)
1092499-93-8 (free base)

>  <URL> (24)
http://selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/12102409592D

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.5918    3.4838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2242    3.1843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7998    1.8501    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7430    0.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    1.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5350    2.4491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2103    4.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6140    6.0064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2519    6.3299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1497    5.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1374    4.0667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9903    3.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9026    2.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    3.7672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    2.4331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2886    1.3985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7352    0.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951    5.2953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2589    4.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9535    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9586    4.8220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9778    2.1336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102    1.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1873    0.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6703    2.8651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3027    2.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3628    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    4.9261    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
  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
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  1 12  1  6  0  0  0
  6 13  1  6  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3 17  1  6  0  0  0
  9 18  1  0  0  0  0
  2 19  1  6  0  0  0
 18 19  1  0  0  0  0
  9 20  1  1  0  0  0
 11 21  1  1  0  0  0
 16 22  1  1  0  0  0
 15 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (25)
384

>  <Formula> (25)
C19H28O8

>  <MolWeight> (25)
384.42082

>  <Cat> (25)
S2265

>  <Name> (25)
Artesunate (WR-256283)

>  <Synonyms> (25)
WR-256283

>  <Target> (25)
ADC Cytotoxin,STAT

>  <Form> (25)
free base

>  <CAS> (25)
88495-63-0

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

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/12102409592D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  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 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  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (26)
389

>  <Formula> (26)
C20H28O2

>  <MolWeight> (26)
300.43512

>  <Cat> (26)
S1653

>  <Name> (26)
Tretinoin (NSC 122758)

>  <Synonyms> (26)
Retinoic acid, All-trans Retinoic Acid, ATRA, Vitamin A acid, Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A,NSC 122758

>  <Target> (26)
Retinoid Receptor

>  <Form> (26)
free base

>  <CAS> (26)
302-79-4

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12102409592D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (27)
452

>  <Formula> (27)
C8H12N4O5

>  <MolWeight> (27)
244.20468

>  <Cat> (27)
S1782

>  <Name> (27)
Azacitidine (5-Azacytidine)

>  <Synonyms> (27)
5-AzaC,Ladakamycin, AZA,5-Aza, CC-486,NSC 102816,5-Azacytidine

>  <Target> (27)
Autophagy,DNA Methyltransferase,Nucleoside Analog/Antimetabolite

>  <Form> (27)
free base

>  <CAS> (27)
320-67-2

>  <URL> (27)
http://selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
Metformin hydrochloride.cdx
csChFnd80/12102409592D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (28)
479

>  <Formula> (28)
C4H12ClN5

>  <MolWeight> (28)
165.62458

>  <Cat> (28)
S1950

>  <Name> (28)
Metformin HCl

>  <Synonyms> (28)
1,1-Dimethylbiguanide HCl

>  <Target> (28)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (28)
Hydrochloride

>  <CAS> (28)
1115-70-4

>  <URL> (28)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/12102409592D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 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 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 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
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (29)
519

>  <Formula> (29)
C16H10N2O2

>  <MolWeight> (29)
262.2628

>  <Cat> (29)
S2386

>  <Name> (29)
Indirubin?(NSC 105327)

>  <Synonyms> (29)
NSC 105327

>  <Target> (29)
GSK-3

>  <Form> (29)
free base

>  <CAS> (29)
479-41-4

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

$$$$
CHIR-98014.cdx
csChFnd80/12102409592D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <MolWeight> (34)
292.37328

>  <Cat> (34)
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>  <Name> (34)
RITA (NSC 652287)

>  <Synonyms> (34)
N/A

>  <Target> (34)
E3 Ligase ,p53

>  <Form> (34)
free base

>  <CAS> (34)
213261-59-7

>  <URL> (34)
http://selleckchem.com/products/rita-nsc-652287.html

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/12102409592D

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>  <Mol_ID> (35)
600

>  <Formula> (35)
C41H42N4O8

>  <MolWeight> (35)
718.79418

>  <Cat> (35)
S1786

>  <Name> (35)
Verteporfin (CL 318952)

>  <Synonyms> (35)
CL 318952, Visudyne

>  <Target> (35)
Apoptosis related,Autophagy,TEAD,VDA,YAP

>  <Form> (35)
free base

>  <CAS> (35)
129497-78-5

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

$$$$
CEP33779.cdx
csChFnd80/12102409592D

 33 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (36)
610

>  <Formula> (36)
C24H26N6O2S

>  <MolWeight> (36)
462.56724

>  <Cat> (36)
S2806

>  <Name> (36)
CEP-33779

>  <Synonyms> (36)
N/A

>  <Target> (36)
JAK

>  <Form> (36)
free base

>  <CAS> (36)
1257704-57-6

>  <URL> (36)
http://selleckchem.com/products/cep33779.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (37)
634

>  <Formula> (37)
C24H31FO6

>  <MolWeight> (37)
434.4977432

>  <Cat> (37)
S3124

>  <Name> (37)
Dexamethasone Acetate

>  <Synonyms> (37)
NSC 39471,Dexamethasone 21-acetate

>  <Target> (37)
Complement System,COVID-19,IL Receptor

>  <Form> (37)
free base

>  <CAS> (37)
1177-87-3

>  <URL> (37)
http://selleckchem.com/products/dexamethasone-acetate.html

$$$$
LDE225.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (38)
642

>  <Formula> (38)
C26H26F3N3O3

>  <MolWeight> (38)
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>  <Cat> (38)
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>  <Name> (38)
Sonidegib (NVP-LDE225)

>  <Synonyms> (38)
Erismodegib

>  <Target> (38)
Hedgehog/Smoothened

>  <Form> (38)
free base

>  <CAS> (38)
956697-53-3

>  <URL> (38)
http://selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
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>  <Mol_ID> (39)
651

>  <Formula> (39)
C23H25ClFN7O

>  <MolWeight> (39)
469.9423032

>  <Cat> (39)
S2179

>  <Name> (39)
Gandotinib (LY2784544)

>  <Synonyms> (39)
N/A

>  <Target> (39)
JAK

>  <Form> (39)
free base

>  <CAS> (39)
1229236-86-5

>  <URL> (39)
http://selleckchem.com/products/LY2784544.html

$$$$
DAPT.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (40)
672

>  <Formula> (40)
C23H26F2N2O4

>  <MolWeight> (40)
432.4603464

>  <Cat> (40)
S2215

>  <Name> (40)
DAPT (GSI-IX)

>  <Synonyms> (40)
LY-374973

>  <Target> (40)
Apoptosis related,Autophagy,Beta Amyloid,Secretase

>  <Form> (40)
free base

>  <CAS> (40)
208255-80-5

>  <URL> (40)
http://selleckchem.com/products/DAPT-GSI-IX.html

$$$$
Cryptotanshinone.cdx
csChFnd80/12102409592D

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 10  5  2  0  0  0  0
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>  <Mol_ID> (41)
701

>  <Formula> (41)
C19H20O3

>  <MolWeight> (41)
296.3603

>  <Cat> (41)
S2285

>  <Name> (41)
Cryptotanshinone

>  <Synonyms> (41)
Tanshinone C

>  <Target> (41)
Apoptosis related,Autophagy,STAT

>  <Form> (41)
free base

>  <CAS> (41)
35825-57-1

>  <URL> (41)
http://selleckchem.com/products/Cryptotanshinone.html

$$$$
Hesperetin.cdx
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    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
    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
   12.1075    5.5927    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
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  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  6  0  0  0
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M  END
>  <Mol_ID> (42)
718

>  <Formula> (42)
C16H14O6

>  <MolWeight> (42)
302.27876

>  <Cat> (42)
S2308

>  <Name> (42)
Hesperetin

>  <Synonyms> (42)
N/A

>  <Target> (42)
Histamine Receptor,TGF-beta/Smad

>  <Form> (42)
free base

>  <CAS> (42)
520-33-2

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

$$$$
Parthenolide.cdx
csChFnd80/12102409592D

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    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
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    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  9 10  1  0  0  0  0
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  8 13  1  1  0  0  0
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M  END
>  <Mol_ID> (43)
744

>  <Formula> (43)
C15H20O3

>  <MolWeight> (43)
248.3175

>  <Cat> (43)
S2341

>  <Name> (43)
(-)-Parthenolide

>  <Synonyms> (43)
N/A

>  <Target> (43)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (43)
free base

>  <CAS> (43)
20554-84-1

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

$$$$
Curcumol.cdx
csChFnd80/12102409592D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (44)
759

>  <Formula> (44)
C15H24O2

>  <MolWeight> (44)
236.34986

>  <Cat> (44)
S2407

>  <Name> (44)
Curcumol

>  <Synonyms> (44)
N/A

>  <Target> (44)
JAK

>  <Form> (44)
free base

>  <CAS> (44)
4871-97-0

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

$$$$
LY 411575.cdx
csChFnd80/12102409592D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (45)
779

>  <Formula> (45)
C26H23F2N3O4

>  <MolWeight> (45)
479.4753264

>  <Cat> (45)
S2714

>  <Name> (45)
LY411575

>  <Synonyms> (45)
N/A

>  <Target> (45)
Apoptosis related,Notch,Secretase

>  <Form> (45)
free base

>  <CAS> (45)
209984-57-6

>  <URL> (45)
http://selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
csChFnd80/12102409592D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (46)
782

>  <Formula> (46)
C26H35N7O2S

>  <MolWeight> (46)
509.6668

>  <Cat> (46)
S2692

>  <Name> (46)
TG101209

>  <Synonyms> (46)
N/A

>  <Target> (46)
c-RET,FLT3,JAK

>  <Form> (46)
free base

>  <CAS> (46)
936091-14-4

>  <URL> (46)
http://selleckchem.com/products/tg101209.html

$$$$
LY2157299.cdx
csChFnd80/12102409592D

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    5.9936    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  1  0  0  0  0
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 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 13  1  0  0  0  0
 10 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
  9 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  9  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (47)
853

>  <Formula> (47)
C22H19N5O

>  <MolWeight> (47)
369.41916

>  <Cat> (47)
S2230

>  <Name> (47)
Galunisertib (LY2157299)

>  <Synonyms> (47)
N/A

>  <Target> (47)
TGF-beta/Smad

>  <Form> (47)
free base

>  <CAS> (47)
700874-72-2

>  <URL> (47)
http://selleckchem.com/products/ly2157299.html

$$$$
TWS119.cdx
csChFnd80/12102409592D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 O   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
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    3.6331    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9999    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 14  1  0  0  0  0
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M  END
>  <Mol_ID> (48)
884

>  <Formula> (48)
C18H14N4O2

>  <MolWeight> (48)
318.32936

>  <Cat> (48)
S1590

>  <Name> (48)
TWS119

>  <Synonyms> (48)
N/A

>  <Target> (48)
Autophagy,GSK-3

>  <Form> (48)
free base

>  <CAS> (48)
601514-19-6

>  <URL> (48)
http://selleckchem.com/products/TWS119.html

$$$$
ICG001.cdx
csChFnd80/12102409592D

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 20 13  1  0  0  0  0
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M  END
>  <Mol_ID> (49)
896

>  <Formula> (49)
C33H32N4O4

>  <MolWeight> (49)
548.63158

>  <Cat> (49)
S2662

>  <Name> (49)
Foscenvivint (ICG-001)

>  <Synonyms> (49)
N/A

>  <Target> (49)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (49)
free base

>  <CAS> (49)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (49)
http://selleckchem.com/products/icg-001.html

$$$$
YO 01027.cdx
csChFnd80/12102409592D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  5  9  1  0  0  0  0
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M  END
>  <Mol_ID> (50)
909

>  <Formula> (50)
C26H23F2N3O3

>  <MolWeight> (50)
463.4759264

>  <Cat> (50)
S2711

>  <Name> (50)
Dibenzazepine (YO-01027)

>  <Synonyms> (50)
DBZ

>  <Target> (50)
Notch,Secretase

>  <Form> (50)
free base

>  <CAS> (50)
209984-56-5

>  <URL> (50)
http://selleckchem.com/products/yo-01027.html

$$$$
TG101348.cdx
csChFnd80/12102409592D

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free base

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936091-26-8

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N/A

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Apoptosis related,GSK-3

>  <Form> (52)
free base

>  <CAS> (52)
264218-23-7

>  <URL> (52)
http://selleckchem.com/products/sb-415286.html

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TPCA-1.cdx
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Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

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free base

>  <CAS> (53)
507475-17-4

>  <URL> (53)
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Tideglusib.cdx
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865854-05-3

>  <URL> (54)
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  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (55)
1069

>  <Formula> (55)
C16H14BrN3O3

>  <MolWeight> (55)
376.20466

>  <Cat> (55)
S2867

>  <Name> (55)
WHI-P154

>  <Synonyms> (55)
N/A

>  <Target> (55)
EGFR,JAK

>  <Form> (55)
free base

>  <CAS> (55)
211555-04-3

>  <URL> (55)
http://selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/12102409592D

 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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    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.4024    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
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (56)
1073

>  <Formula> (56)
C22H34O7

>  <MolWeight> (56)
410.50116

>  <Cat> (56)
S2449

>  <Name> (56)
Colforsin

>  <Synonyms> (56)
Forskolin, HL 362, Coleonol

>  <Target> (56)
Autophagy,cAMP,FXR

>  <Form> (56)
free base

>  <CAS> (56)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/12102409592D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1980    2.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1159    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7109    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4190    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
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (57)
1104

>  <Formula> (57)
C12H11NO

>  <MolWeight> (57)
185.22184

>  <Cat> (57)
S2907

>  <Name> (57)
Pirfenidone (S-7701)

>  <Synonyms> (57)
AMR-69

>  <Target> (57)
CCR,TGF-beta/Smad

>  <Form> (57)
free base

>  <CAS> (57)
53179-13-8

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

$$$$
TDZD-8.cdx
csChFnd80/12102409592D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.0923    0.6457    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
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  3  6  2  0  0  0  0
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  2  8  1  0  0  0  0
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 10 15  2  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (58)
1145

>  <Formula> (58)
C10H10N2O2S

>  <MolWeight> (58)
222.2636

>  <Cat> (58)
S2926

>  <Name> (58)
TDZD-8

>  <Synonyms> (58)
NP 01139

>  <Target> (58)
COVID-19,GSK-3

>  <Form> (58)
free base

>  <CAS> (58)
327036-89-5

>  <URL> (58)
http://selleckchem.com/products/tdzd-8.html

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/12102409592D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  4  1  0  0  0  0
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M  END
>  <Mol_ID> (59)
1218

>  <Formula> (59)
C18H14N4O5S

>  <MolWeight> (59)
398.39256

>  <Cat> (59)
S1576

>  <Name> (59)
Sulfasalazine (NSC 667219)

>  <Synonyms> (59)
Azulfidine, Salazopyrin, Sulphasalazine, NSC 667219

>  <Target> (59)
Apoptosis related,Autophagy,COX,Ferroptosis,Immunology & Inflammation related,NF-¦ÊB,TGF-beta/Smad

>  <Form> (59)
free base

>  <CAS> (59)
599-79-1

>  <URL> (59)
http://selleckchem.com/products/Sulfasalazine(Azulfidine).html

$$$$
Pifithrin-¦Á.cdx
csChFnd80/12102409592D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 13  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (60)
1223

>  <Formula> (60)
C16H19BrN2OS

>  <MolWeight> (60)
367.30386

>  <Cat> (60)
S2929

>  <Name> (60)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (60)
Pifithrin-¦Á hydrobromide

>  <Target> (60)
AhR,Autophagy,p53

>  <Form> (60)
HBr

>  <CAS> (60)
63208-82-2

>  <URL> (60)
http://selleckchem.com/products/pifithrin-alpha.html

$$$$
aicar.cdx
csChFnd80/12102409592D

 18 19  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012    2.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8012    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5783    5.3608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
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 11 12  2  0  0  0  0
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M  END
>  <Mol_ID> (61)
1233

>  <Formula> (61)
C9H14N4O5

>  <MolWeight> (61)
258.23126

>  <Cat> (61)
S1802

>  <Name> (61)
AICAR (Acadesine)

>  <Synonyms> (61)
NSC105823, AICA Riboside

>  <Target> (61)
AMPK,Mitophagy

>  <Form> (61)
free base

>  <CAS> (61)
2627-69-2

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

$$$$
nifuroxazide.cdx
csChFnd80/12102409592D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4032    3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    1.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7347    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    1.3875    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9550    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    5.9527    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6503    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0454    1.6993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7430    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1382    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (62)
1342

>  <Formula> (62)
C12H9N3O5

>  <MolWeight> (62)
275.21696

>  <Cat> (62)
S4182

>  <Name> (62)
Nifuroxazide

>  <Synonyms> (62)
N/A

>  <Target> (62)
STAT

>  <Form> (62)
free base

>  <CAS> (62)
965-52-6

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/12102409592D

 12 12  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
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    5.1875    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  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (63)
1436

>  <Formula> (63)
C8H7NO2S

>  <MolWeight> (63)
181.21168

>  <Cat> (63)
S2930

>  <Name> (63)
Pifithrin-¦Ì

>  <Synonyms> (63)
NSC 303580, PFT¦Ì, 2-Phenylethynesulfonamide

>  <Target> (63)
Autophagy,HSP (HSP90),p53

>  <Form> (63)
free base

>  <CAS> (63)
64984-31-2

>  <URL> (63)
http://selleckchem.com/products/pifithrin-u.html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/12102409592D

 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
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   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
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 10 11  1  0  0  0  0
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 20 21  1  0  0  0  0
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 20 25  2  0  0  0  0
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 26 27  1  0  0  0  0
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 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> (64)
1470

>  <Formula> (64)
C25H35ClN4O2S

>  <MolWeight> (64)
491.089

>  <Cat> (64)
S4900

>  <Name> (64)
Tenovin-6

>  <Synonyms> (64)
N/A

>  <Target> (64)
Dehydrogenase,p53,Sirtuin

>  <Form> (64)
free base

>  <CAS> (64)
1011557-82-6

>  <URL> (64)
http://selleckchem.com/products/tenovin-6.html

$$$$
S4747 Jervine.cdx
csChFnd80/12102409592D

 36 41  0  0  0  0  0  0  0  0999 V2000
    8.8342    5.3534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.8888    6.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    6.8993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2855    7.6307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.6527    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7131    7.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (65)
1686

>  <Formula> (65)
C27H39NO3

>  <MolWeight> (65)
425.60346

>  <Cat> (65)
S4747

>  <Name> (65)
Jervine

>  <Synonyms> (65)
11-Ketocyclopamine

>  <Target> (65)
Hedgehog/Smoothened

>  <Form> (65)
free base

>  <CAS> (65)
469-59-0

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/12102409592D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    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
  3  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (66)
1729

>  <Formula> (66)
C9H10O4

>  <MolWeight> (66)
182.1733

>  <Cat> (66)
S3630

>  <Name> (66)
Methyl Vanillate

>  <Synonyms> (66)
N/A

>  <Target> (66)
Wnt/beta-catenin

>  <Form> (66)
free base

>  <CAS> (66)
3943-74-6

>  <URL> (66)
http://selleckchem.com/products/methyl-vanillate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/12102409592D

 30 27  0  0  0  0  0  0  0  0999 V2000
    2.4236    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    2.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    0.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    0.0743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6360    0.0749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8548    4.9732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    4.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2787    6.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    4.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998    7.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    4.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7264    6.3727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    6.3570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3566    7.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5727    6.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    7.0509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7840    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9977    6.3502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752   11.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0417    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.3855    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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
  5 11  2  0  0  0  0
  6 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  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
 19 21  2  0  0  0  0
 20 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
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (67)
1793

>  <Formula> (67)
C17H17N3Na2O8

>  <MolWeight> (67)
437.31172

>  <Cat> (67)
S3745

>  <Name> (67)
Balsalazide disodium

>  <Synonyms> (67)
N/A

>  <Target> (67)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (67)
disodium salt dihydrate

>  <CAS> (67)
150399-21-6

>  <URL> (67)
http://selleckchem.com/products/balsalazide-disodium.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/12102409592D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    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    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 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
    4.8497    3.5000    0.0000 O   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
    6.0622    5.6000    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
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    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
    7.2746    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
    9.6995    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
    8.4870    4.2000    0.0000 C   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
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   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 O   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
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    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
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 14  1  6  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 23  1  0  0  0  0
 27 29  1  6  0  0  0
 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (68)
1859

>  <Formula> (68)
C21H20O12

>  <MolWeight> (68)
464.3763

>  <Cat> (68)
S3842

>  <Name> (68)
Isoquercitrin

>  <Synonyms> (68)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (68)
Wnt/beta-catenin

>  <Form> (68)
free base

>  <CAS> (68)
482-35-9

>  <URL> (68)
http://selleckchem.com/products/isoquercitrin.html

$$$$
LY2109761.cdx
csChFnd80/12102409592D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.1777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6026    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7528    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8108    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0190    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2272    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8603    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6479    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4355    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0979    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    7.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1979    3.8056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    3.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2979    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    6.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1979    6.2305    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  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
 19 14  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  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 24  1  0  0  0  0
 21 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
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (69)
1949

>  <Formula> (69)
C26H27N5O2

>  <MolWeight> (69)
441.52488

>  <Cat> (69)
S2704

>  <Name> (69)
LY2109761

>  <Synonyms> (69)
N/A

>  <Target> (69)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (69)
Free Base

>  <CAS> (69)
700874-71-1

>  <URL> (69)
http://selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/12102409592D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    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
    3.6373    4.9000    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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   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
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7822    4.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1615    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8977    3.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5150    2.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6339    4.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184    5.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3994    4.5211    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
    3.6373    6.3000    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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 12 16  2  0  0  0  0
 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
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  5 15  1  0  0  0  0
  9 30  1  0  0  0  0
  3 31  1  0  0  0  0
M  END
>  <Mol_ID> (70)
1950

>  <Formula> (70)
C23H17FN6O

>  <MolWeight> (70)
412.4190832

>  <Cat> (70)
S2788

>  <Name> (70)
Capmatinib (INCB28060)

>  <Synonyms> (70)
INC280, NVP-INC280

>  <Target> (70)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (70)
Free Base

>  <CAS> (70)
1029712-80-8

>  <URL> (70)
http://selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/12102409592D

 44 38  0  0  0  0  0  0  0  0999 V2000
   10.7110    3.2835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9235    2.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1359    3.2835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3786    0.8114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  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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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 22  1  0  0  0  0
  7  9  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
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 23 36  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (71)
1951

>  <Formula> (71)
C28H62Cl8N8

>  <MolWeight> (71)
794.46948

>  <Cat> (71)
S3013

>  <Name> (71)
Plerixafor (AMD3100) 8HCl

>  <Synonyms> (71)
JM 3100 8HCl,Plerixafor Octahydrochloride,AMD3100 octahydrochloride,SID791 octahydrochloride

>  <Target> (71)
CXCR,HIV

>  <Form> (71)
Octahydrochloride

>  <CAS> (71)
155148-31-5

>  <URL> (71)
http://selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/12102409592D

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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  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  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
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 13 16  1  0  0  0  0
  4 14  1  0  0  0  0
M  END
>  <Mol_ID> (72)
1953

>  <Formula> (72)
C17H12N4

>  <MolWeight> (72)
272.30398

>  <Cat> (72)
S2805

>  <Name> (72)
LY364947

>  <Synonyms> (72)
HTS 466284

>  <Target> (72)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (72)
Free Base

>  <CAS> (72)
396129-53-6

>  <URL> (72)
http://selleckchem.com/products/ly364947.html

$$$$
KY02111.cdx
csChFnd80/12102409592D

 25 27  0  0  0  0  0  0  0  0999 V2000
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   15.4152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4152    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
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  1  9  1  0  0  0  0
 12 13  1  0  0  0  0
  4 12  1  0  0  0  0
 14 15  1  0  0  0  0
  3 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 16 20  1  0  0  0  0
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 23 25  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (73)
1962

>  <Formula> (73)
C18H17ClN2O3S

>  <MolWeight> (73)
376.85718

>  <Cat> (73)
S7096

>  <Name> (73)
KY02111

>  <Synonyms> (73)
N/A

>  <Target> (73)
Wnt/beta-catenin

>  <Form> (73)
free base

>  <CAS> (73)
1118807-13-8

>  <URL> (73)
http://selleckchem.com/products/ky02111.html

$$$$
SANT-1.cdx
csChFnd80/12102409592D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.2364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4489    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4489    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (74)
1984

>  <Formula> (74)
C23H27N5

>  <MolWeight> (74)
373.49398

>  <Cat> (74)
S7092

>  <Name> (74)
SANT-1

>  <Synonyms> (74)
N/A

>  <Target> (74)
Hedgehog/Smoothened

>  <Form> (74)
free base

>  <CAS> (74)
304909-07-7

>  <URL> (74)
http://selleckchem.com/products/sant-1.html

$$$$
RKI-1447.cdx
csChFnd80/12102409592D

 23 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 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
    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
    4.9163    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1684    4.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5415    3.9042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7183    5.5029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4645    4.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8377    4.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2878    3.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    3.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5839    4.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1338    5.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7607    5.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0568    6.5160    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  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
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (75)
1994

>  <Formula> (75)
C16H14N4O2S

>  <MolWeight> (75)
326.37296

>  <Cat> (75)
S7195

>  <Name> (75)
RKI-1447

>  <Synonyms> (75)
N/A

>  <Target> (75)
ROCK

>  <Form> (75)
free base

>  <CAS> (75)
1342278-01-6

>  <URL> (75)
http://selleckchem.com/products/rki-1447.html

$$$$
Sodium valproate.cdx
csChFnd80/12102409592D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (76)
2205

>  <Formula> (76)
C8H15NaO2

>  <MolWeight> (76)
166.19327

>  <Cat> (76)
S1168

>  <Name> (76)
Valproic Acid (NSC 93819) sodium salt

>  <Synonyms> (76)
Sodium valproate,NSC 93819,2-Propylpentanoic Acid

>  <Target> (76)
Autophagy,GABA Receptor,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (76)
Sodium salt

>  <CAS> (76)
1069-66-5

>  <URL> (76)
http://selleckchem.com/products/Sodium-valproate.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/12102409592D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5771    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720    2.0961    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5771    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    4.8930    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2423    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4401    0.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    4.2112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6124    7.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    7.0273    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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  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
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (77)
2226

>  <Formula> (77)
C21H18O12

>  <MolWeight> (77)
462.36042

>  <Cat> (77)
S3810

>  <Name> (77)
Scutellarin

>  <Synonyms> (77)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (77)
Akt,NF-¦ÊB,STAT

>  <Form> (77)
free base

>  <CAS> (77)
27740-01-8

>  <URL> (77)
http://selleckchem.com/products/scutellarin.html

$$$$
Tenovin-1.cdx
csChFnd80/12102409592D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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  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  2  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 15  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (78)
2261

>  <Formula> (78)
C20H23N3O2S

>  <MolWeight> (78)
369.48052

>  <Cat> (78)
S8000

>  <Name> (78)
Tenovin-1

>  <Synonyms> (78)
N/A

>  <Target> (78)
Dehydrogenase,p53,Sirtuin

>  <Form> (78)
free base

>  <CAS> (78)
380315-80-0

>  <URL> (78)
http://selleckchem.com/products/tenovin-1.html

$$$$
Plerixafor.cdx
csChFnd80/12102409592D

 36 38  0  0  0  0  0  0  0  0999 V2000
   12.2008    4.6170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700    6.1884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8539    6.6882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0880   10.2369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4685    8.0948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882    2.7543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505    4.2388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0013    3.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2919    6.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7870    4.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    6.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4362    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2632    5.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4296    6.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 19  1  0  0  0  0
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 21 23  1  0  0  0  0
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 22 24  1  0  0  0  0
 27 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32 30  1  0  0  0  0
 33 34  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (79)
2273

>  <Formula> (79)
C28H54N8

>  <MolWeight> (79)
502.78196

>  <Cat> (79)
S8030

>  <Name> (79)
Plerixafor (AMD3100)

>  <Synonyms> (79)
JM 3100, SID791

>  <Target> (79)
CXCR,HIV

>  <Form> (79)
Free Base

>  <CAS> (79)
110078-46-1

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

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/12102409592D

 33 38  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.1595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8595    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    3.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8671    1.2513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    0.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0622    1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0622    3.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    3.6761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    4.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.3720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.6470    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  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  5 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 15 18  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 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 26  1  0  0  0  0
  1 31  1  1  0  0  0
  2 32  1  1  0  0  0
  6 33  1  1  0  0  0
  9 33  1  1  0  0  0
M  END
>  <Mol_ID> (80)
2285

>  <Formula> (80)
C26H21N3O3

>  <MolWeight> (80)
423.46324

>  <Cat> (80)
S7086

>  <Name> (80)
IWR-1-endo

>  <Synonyms> (80)
endo-IWR 1, IWR-1

>  <Target> (80)
Wnt/beta-catenin

>  <Form> (80)
free base

>  <CAS> (80)
1127442-82-3

>  <URL> (80)
http://selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/12102409592D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    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
    6.1770    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    3.8072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    3.2302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   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  5  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (81)
2291

>  <Formula> (81)
C8H5NO4S

>  <MolWeight> (81)
211.1946

>  <Cat> (81)
S7024

>  <Name> (81)
Stattic

>  <Synonyms> (81)
N/A

>  <Target> (81)
Apoptosis related,STAT

>  <Form> (81)
free base

>  <CAS> (81)
19983-44-9

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

$$$$
Zebularine.cdx
csChFnd80/12102409592D

 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
    3.7772    2.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5647    2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3085    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    3.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    5.6729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    3.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  5  1  1  0  0  0
  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (82)
2303

>  <Formula> (82)
C9H12N2O5

>  <MolWeight> (82)
228.20198

>  <Cat> (82)
S7113

>  <Name> (82)
Zebularine (NSC 309132)

>  <Synonyms> (82)
4-Deoxyuridine

>  <Target> (82)
DNA Methyltransferase

>  <Form> (82)
free base

>  <CAS> (82)
3690-10-6

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

$$$$
Sodium butyrate.cdx
csChFnd80/12102409592D

  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> (83)
2359

>  <Formula> (83)
C4H7NaO2

>  <MolWeight> (83)
110.08695

>  <Cat> (83)
S1999

>  <Name> (83)
Sodium butyrate

>  <Synonyms> (83)
NaB, Butanoic acid sodium salt

>  <Target> (83)
Apoptosis related,Autophagy,HDAC

>  <Form> (83)
Sodium Salt

>  <CAS> (83)
156-54-7

>  <URL> (83)
http://selleckchem.com/products/Sodium-butyrate.html

$$$$
Itraconazole.cdx
csChFnd80/12102409592D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    4.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0287    7.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4114    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    9.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    8.5373    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
  6  7  1  0  0  0  0
  3  8  1  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
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 22 23  1  0  0  0  0
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 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  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 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 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 45  1  0  0  0  0
M  END
>  <Mol_ID> (84)
2371

>  <Formula> (84)
C35H38Cl2N8O4

>  <MolWeight> (84)
705.63342

>  <Cat> (84)
S2476

>  <Name> (84)
Itraconazole?(R 51211)

>  <Synonyms> (84)
R 51211

>  <Target> (84)
Autophagy,Fungal,Hedgehog/Smoothened,P450 (e.g. CYP17)

>  <Form> (84)
free base

>  <CAS> (84)
84625-61-6

>  <URL> (84)
http://selleckchem.com/products/Itraconazole(Sporanox).html

$$$$
3.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (85)
2385

>  <Formula> (85)
C26H24F4N6O

>  <MolWeight> (85)
512.5019728

>  <Cat> (85)
S2157

>  <Name> (85)
Taladegib (LY2940680)

>  <Synonyms> (85)
N/A

>  <Target> (85)
Hedgehog/Smoothened

>  <Form> (85)
free base

>  <CAS> (85)
1258861-20-9

>  <URL> (85)
http://selleckchem.com/products/ly2940680.html

$$$$
Wnt-C59 (C59).cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (86)
2409

>  <Formula> (86)
C25H21N3O

>  <MolWeight> (86)
379.45374

>  <Cat> (86)
S7037

>  <Name> (86)
Wnt-C59 (C59)

>  <Synonyms> (86)
N/A

>  <Target> (86)
PORCN

>  <Form> (86)
free base

>  <CAS> (86)
1243243-89-1

>  <URL> (86)
http://selleckchem.com/products/wnt-c59-c59.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/12102409592D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (87)
2433

>  <Formula> (87)
C22H28FNa2O8P

>  <MolWeight> (87)
516.4046242

>  <Cat> (87)
S4028

>  <Name> (87)
Dexamethasone Sodium Phosphate

>  <Synonyms> (87)
Dexamethasone?21-phosphate disodium salt

>  <Target> (87)
Autophagy,Complement System,COVID-19,COX,IL Receptor

>  <Form> (87)
Disodium salt

>  <CAS> (87)
55203-24-2

>  <URL> (87)
http://selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/12102409592D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (88)
2450

>  <Formula> (88)
C28H29Cl2N3OS

>  <MolWeight> (88)
526.52036

>  <Cat> (88)
S7779

>  <Name> (88)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (88)
N/A

>  <Target> (88)
Hedgehog/Smoothened

>  <Form> (88)
Hydrochloride

>  <CAS> (88)
2095432-58-7

>  <URL> (88)
http://selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (89)
2456

>  <Formula> (89)
C28H32O6

>  <MolWeight> (89)
464.55008

>  <Cat> (89)
S7259

>  <Name> (89)
FLLL32

>  <Synonyms> (89)
N/A

>  <Target> (89)
IFN,Interleukins,JAK

>  <Form> (89)
free base

>  <CAS> (89)
1226895-15-3

>  <URL> (89)
http://selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12102409592D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  1  6  1  0  0  0  0
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M  END
>  <Mol_ID> (90)
2463

>  <Formula> (90)
C11H10N2O2S

>  <MolWeight> (90)
234.2743

>  <Cat> (90)
S7914

>  <Name> (90)
Isoxazole 9 (ISX-9)

>  <Synonyms> (90)
N/A

>  <Target> (90)
TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (90)
free base

>  <CAS> (90)
832115-62-5

>  <URL> (90)
http://selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
P7C3.cdx
csChFnd80/12102409592D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
2481

>  <Formula> (91)
C21H18Br2N2O

>  <MolWeight> (91)
474.18842

>  <Cat> (91)
S7968

>  <Name> (91)
P7C3

>  <Synonyms> (91)
N/A

>  <Target> (91)
NAMPT

>  <Form> (91)
free base

>  <CAS> (91)
301353-96-8

>  <URL> (91)
http://selleckchem.com/products/p7c3.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/12102409592D

 25 28  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (92)
2484

>  <Formula> (92)
C18H12BrN3O3

>  <MolWeight> (92)
398.21018

>  <Cat> (92)
S7915

>  <Name> (92)
BIO-acetoxime

>  <Synonyms> (92)
GSK-3 Inhibitor X

>  <Target> (92)
GSK-3

>  <Form> (92)
free base

>  <CAS> (92)
667463-85-6

>  <URL> (92)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/12102409592D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (93)
2493

>  <Formula> (93)
C21H25ClN2O2

>  <MolWeight> (93)
372.8884

>  <Cat> (93)
S8483

>  <Name> (93)
CBL0137 HCl

>  <Synonyms> (93)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (93)
NF-¦ÊB,p53

>  <Form> (93)
HCl

>  <CAS> (93)
1197397-89-9

>  <URL> (93)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (94)
2499

>  <Formula> (94)
C8H16O2

>  <MolWeight> (94)
144.21144

>  <Cat> (94)
S3944

>  <Name> (94)
Valproic acid (VPA)

>  <Synonyms> (94)
2-Propylvaleric Acid, Valproate

>  <Target> (94)
Autophagy,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (94)
free base

>  <CAS> (94)
99-66-1

>  <URL> (94)
http://selleckchem.com/products/valproic-acid.html

$$$$
NSC319726.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (95)
2537

>  <Formula> (95)
C11H14N4S

>  <MolWeight> (95)
234.32066

>  <Cat> (95)
S7149

>  <Name> (95)
NSC 319726

>  <Synonyms> (95)
N/A

>  <Target> (95)
p53

>  <Form> (95)
free base

>  <CAS> (95)
71555-25-4

>  <URL> (95)
http://selleckchem.com/products/nsc319726.html

$$$$
purmorphamine.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (96)
2544

>  <Formula> (96)
C31H32N6O2

>  <MolWeight> (96)
520.62478

>  <Cat> (96)
S3042

>  <Name> (96)
Purmorphamine

>  <Synonyms> (96)
Shh Signaling Antagonist VI

>  <Target> (96)
Autophagy,Hedgehog/Smoothened

>  <Form> (96)
Free Base

>  <CAS> (96)
483367-10-8

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12102409592D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
2552

>  <Formula> (97)
C16H10BrN3O2

>  <MolWeight> (97)
356.1735

>  <Cat> (97)
S7198

>  <Name> (97)
BIO

>  <Synonyms> (97)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (97)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (97)
free base

>  <CAS> (97)
667463-62-9

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

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12102409592D

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   11.1034    2.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (98)
2556

>  <Formula> (98)
C17H13N5

>  <MolWeight> (98)
287.31862

>  <Cat> (98)
S7223

>  <Name> (98)
RepSox (E-616452)

>  <Synonyms> (98)
SJN 2511,ALK5 Inhibitor II

>  <Target> (98)
TGF-beta/Smad

>  <Form> (98)
free base

>  <CAS> (98)
446859-33-2

>  <URL> (98)
http://selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/12102409592D

 32 35  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (99)
2559

>  <Formula> (99)
C21H23N7O3S

>  <MolWeight> (99)
453.51742

>  <Cat> (99)
S7253

>  <Name> (99)
AZD2858

>  <Synonyms> (99)
N/A

>  <Target> (99)
GSK-3

>  <Form> (99)
free base

>  <CAS> (99)
486424-20-8

>  <URL> (99)
http://selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/12102409592D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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 15 19  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (100)
2561

>  <Formula> (100)
C23H26ClNO

>  <MolWeight> (100)
367.91164

>  <Cat> (100)
S8004

>  <Name> (100)
ZM 39923 HCl

>  <Synonyms> (100)
N/A

>  <Target> (100)
JAK

>  <Form> (100)
HCl

>  <CAS> (100)
1021868-92-7

>  <URL> (100)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12102409592D

 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
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   17.0919    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8940    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3981    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
  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
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (101)
2576

>  <Formula> (101)
C24H27Cl2N5O

>  <MolWeight> (101)
472.41008

>  <Cat> (101)
S7306

>  <Name> (101)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (101)
BML-275 2HCl,Compound C 2HCl

>  <Target> (101)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (101)
Dihydrochloride

>  <CAS> (101)
1219168-18-9

>  <URL> (101)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/12102409592D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    3.7397    2.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0238    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2755    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5311    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 24  1  0  0  0  0
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M  END
>  <Mol_ID> (102)
2627

>  <Formula> (102)
C21H27ClN2S2

>  <MolWeight> (102)
407.03548

>  <Cat> (102)
S5563

>  <Name> (102)
Thioridazine hydrochloride

>  <Synonyms> (102)
Aldazine, Mellaril

>  <Target> (102)
5-HT Receptor

>  <Form> (102)
hydrochloride

>  <CAS> (102)
130-61-0

>  <URL> (102)
http://selleckchem.com/products/thioridazine-hydrochloride.html

$$$$
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1059734-66-5

>  <URL> (103)
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JAK

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free base

>  <CAS> (104)
945755-56-6

>  <URL> (104)
http://selleckchem.com/products/xl019.html

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>  <URL> (105)
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1243244-14-5

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PORCN

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1427782-89-5

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>  <Form> (108)
free base

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487021-52-3

>  <URL> (108)
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1431985-92-0

>  <URL> (109)
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2683

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C17H18N2O2

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FH1 (BRD-K4477)

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NSC 12407

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Others

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free base

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2719-05-3

>  <URL> (111)
http://selleckchem.com/products/fh1-brd-k4477.html

$$$$
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2695

>  <Formula> (112)
C25H23ClN6

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S7507

>  <Name> (112)
LDN-193189 2HCl

>  <Synonyms> (112)
DM-3189 2HCl

>  <Target> (112)
TGF-beta/Smad

>  <Form> (112)
Hydrochloride

>  <CAS> (112)
1435934-00-1

>  <URL> (112)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
1-Azakenpaullone.cdx
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2698

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C15H10BrN3O

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328.1634

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S7193

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1-Azakenpaullone

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1-Akp

>  <Target> (113)
GSK-3

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free base

>  <CAS> (113)
676596-65-9

>  <URL> (113)
http://selleckchem.com/products/1-azakenpaullone.html

$$$$
ML347.cdx
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C22H16N4O

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ML347

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LDN-193719

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TGF-beta/Smad

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free base

>  <CAS> (114)
1062368-49-3

>  <URL> (114)
http://selleckchem.com/products/ml347.html

$$$$
DMH1.cdx
csChFnd80/12102409592D

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DMH1

>  <Synonyms> (115)
N/A

>  <Target> (115)
Autophagy,TGF-beta/Smad

>  <Form> (115)
free base

>  <CAS> (115)
1206711-16-1

>  <URL> (115)
http://selleckchem.com/products/dmh1.html

$$$$
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csChFnd80/12102409592D

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>  <Mol_ID> (116)
2714

>  <Formula> (116)
C25H22N6

>  <MolWeight> (116)
406.48238

>  <Cat> (116)
S7147

>  <Name> (116)
LDN-212854

>  <Synonyms> (116)
BMP Inhibitor III

>  <Target> (116)
TGF-beta/Smad

>  <Form> (116)
free base

>  <CAS> (116)
1432597-26-6

>  <URL> (116)
http://selleckchem.com/products/ldn-212854.html

$$$$
CGP 57380.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (117)
2716

>  <Formula> (117)
C11H9FN6

>  <MolWeight> (117)
244.2277632

>  <Cat> (117)
S7421

>  <Name> (117)
CGP 57380

>  <Synonyms> (117)
N/A

>  <Target> (117)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (117)
free base

>  <CAS> (117)
522629-08-9

>  <URL> (117)
http://selleckchem.com/products/cgp57380.html

$$$$
WIKI4.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (118)
2737

>  <Formula> (118)
C29H23N5O3S

>  <MolWeight> (118)
521.58962

>  <Cat> (118)
S7490

>  <Name> (118)
WIKI4

>  <Synonyms> (118)
N/A

>  <Target> (118)
PARP,Wnt/beta-catenin

>  <Form> (118)
free base

>  <CAS> (118)
838818-26-1

>  <URL> (118)
http://selleckchem.com/products/wiki4.html

$$$$
FPH2 (BRD-9424).cdx
csChFnd80/12102409592D

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>  <Mol_ID> (119)
2756

>  <Formula> (119)
C14H16ClN5O2S

>  <MolWeight> (119)
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>  <Cat> (119)
S7452

>  <Name> (119)
FPH2 (BRD-9424)

>  <Synonyms> (119)
N/A

>  <Target> (119)
Others

>  <Form> (119)
free base

>  <CAS> (119)
957485-64-2

>  <URL> (119)
http://selleckchem.com/products/fph2-brd-9424.html

$$$$
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M  END
>  <Mol_ID> (120)
2759

>  <Formula> (120)
C22H18N4O2S3

>  <MolWeight> (120)
466.59892

>  <Cat> (120)
S7085

>  <Name> (120)
IWP-2

>  <Synonyms> (120)
N/A

>  <Target> (120)
Casein Kinase,Wnt/beta-catenin

>  <Form> (120)
Free Base

>  <CAS> (120)
686770-61-6

>  <URL> (120)
http://selleckchem.com/products/iwp-2.html

$$$$
FH535.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (121)
2769

>  <Formula> (121)
C13H10Cl2N2O4S

>  <MolWeight> (121)
361.2005

>  <Cat> (121)
S7484

>  <Name> (121)
FH535

>  <Synonyms> (121)
N/A

>  <Target> (121)
PPAR,Wnt/beta-catenin

>  <Form> (121)
free base

>  <CAS> (121)
108409-83-2

>  <URL> (121)
http://selleckchem.com/products/fh535.html

$$$$
HO-3867.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (122)
2778

>  <Formula> (122)
C28H30F2N2O2

>  <MolWeight> (122)
464.5468064

>  <Cat> (122)
S7501

>  <Name> (122)
HO-3867

>  <Synonyms> (122)
N/A

>  <Target> (122)
Apoptosis related,STAT

>  <Form> (122)
free base

>  <CAS> (122)
1172133-28-6

>  <URL> (122)
http://selleckchem.com/products/ho-3867.html

$$$$
SH-4-54.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (123)
2786

>  <Formula> (123)
C29H27F5N2O5S

>  <MolWeight> (123)
610.592096

>  <Cat> (123)
S7337

>  <Name> (123)
SH-4-54

>  <Synonyms> (123)
N/A

>  <Target> (123)
STAT

>  <Form> (123)
free base

>  <CAS> (123)
1456632-40-8

>  <URL> (123)
http://selleckchem.com/products/sh-4-54.html

$$$$
IM-12.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (124)
2795

>  <Formula> (124)
C22H20FN3O2

>  <MolWeight> (124)
377.4115032

>  <Cat> (124)
S7566

>  <Name> (124)
IM-12

>  <Synonyms> (124)
N/A

>  <Target> (124)
GSK-3

>  <Form> (124)
free base

>  <CAS> (124)
1129669-05-1

>  <URL> (124)
http://selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/12102409592D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (125)
2813

>  <Formula> (125)
C21H23N5O3S

>  <MolWeight> (125)
425.50402

>  <Cat> (125)
S7605

>  <Name> (125)
Filgotinib (GLPG0634)

>  <Synonyms> (125)
N/A

>  <Target> (125)
JAK

>  <Form> (125)
free base

>  <CAS> (125)
1206161-97-8

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

$$$$
EW-7197.cdx
csChFnd80/12102409592D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (126)
2837

>  <Formula> (126)
C22H18FN7

>  <MolWeight> (126)
399.4236232

>  <Cat> (126)
S7530

>  <Name> (126)
Vactosertib (TEW-7197)

>  <Synonyms> (126)
EW-7197

>  <Target> (126)
TGF-beta/Smad

>  <Form> (126)
free base

>  <CAS> (126)
1352608-82-2

>  <URL> (126)
http://selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/12102409592D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
2838

>  <Formula> (127)
C20H15NO3

>  <MolWeight> (127)
317.338

>  <Cat> (127)
S7658

>  <Name> (127)
Kartogenin

>  <Synonyms> (127)
KGN

>  <Target> (127)
TGF-beta/Smad

>  <Form> (127)
free base

>  <CAS> (127)
4727-31-5

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

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/12102409592D

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Cerdulatinib (PRT062070) hydrochloride

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JAK,Syk

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>  <CAS> (128)
1369761-01-2

>  <URL> (128)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

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Adenosine Receptor,Aurora Kinase

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free base

>  <CAS> (129)
656820-32-5

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

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2877

>  <Formula> (130)
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AT13148

>  <Synonyms> (130)
N/A

>  <Target> (130)
Akt,PKA,ROCK,S6 Kinase

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free base

>  <CAS> (130)
1056901-62-2

>  <URL> (130)
http://selleckchem.com/products/at13148.html

$$$$
Bikinin.cdx
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C9H9BrN2O3

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188011-69-0

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

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free base

>  <CAS> (132)
627536-09-8

>  <URL> (132)
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   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
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (137)
2979

>  <Formula> (137)
C24H25N5O

>  <MolWeight> (137)
399.4882

>  <Cat> (137)
S7840

>  <Name> (137)
Dorsomorphin (Compound C)

>  <Synonyms> (137)
BML-275,Compound C

>  <Target> (137)
AMPK,Autophagy,TGF-beta/Smad

>  <Form> (137)
Free Base

>  <CAS> (137)
866405-64-3

>  <URL> (137)
http://selleckchem.com/products/dorsomorphin.html

$$$$
BBI608(Napabucasin.cdx
csChFnd80/12102409592D

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    9.1041    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    4.0124    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
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 10  5  1  0  0  0  0
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 10 14  2  0  0  0  0
  7 15  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (138)
2987

>  <Formula> (138)
C14H8O4

>  <MolWeight> (138)
240.21092

>  <Cat> (138)
S7977

>  <Name> (138)
Napabucasin (BBI608)

>  <Synonyms> (138)
BBI608

>  <Target> (138)
STAT

>  <Form> (138)
free base

>  <CAS> (138)
83280-65-3

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

$$$$
ASP015K.cdx
csChFnd80/12102409592D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 22 24  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
>  <Mol_ID> (139)
2993

>  <Formula> (139)
C18H22N4O2

>  <MolWeight> (139)
326.39288

>  <Cat> (139)
S7650

>  <Name> (139)
Peficitinib (ASP015K)

>  <Synonyms> (139)
JNJ-54781532

>  <Target> (139)
JAK

>  <Form> (139)
free base

>  <CAS> (139)
944118-01-8

>  <URL> (139)
http://selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
SW033291-1.cdx
csChFnd80/12102409592D

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>  <Mol_ID> (140)
3013

>  <Formula> (140)
C21H20N2OS3

>  <MolWeight> (140)
412.5913

>  <Cat> (140)
S7900

>  <Name> (140)
SW033291

>  <Synonyms> (140)
N/A

>  <Target> (140)
Dehydrogenase

>  <Form> (140)
free base

>  <CAS> (140)
459147-39-8

>  <URL> (140)
http://selleckchem.com/products/sw033291.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/12102409592D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
3017

>  <Formula> (141)
C18H19F3N6O

>  <MolWeight> (141)
392.3782696

>  <Cat> (141)
S7541

>  <Name> (141)
Decernotinib (VX-509)

>  <Synonyms> (141)
N/A

>  <Target> (141)
JAK

>  <Form> (141)
free base

>  <CAS> (141)
944842-54-0

>  <URL> (141)
http://selleckchem.com/products/decernotinib-vx-509.html

$$$$
NSC59984.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (142)
3035

>  <Formula> (142)
C12H15N3O4

>  <MolWeight> (142)
265.2652

>  <Cat> (142)
S8106

>  <Name> (142)
NSC59984

>  <Synonyms> (142)
N/A

>  <Target> (142)
p53

>  <Form> (142)
free base

>  <CAS> (142)
803647-40-7

>  <URL> (142)
http://selleckchem.com/products/nsc59984.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (143)
3040

>  <Formula> (143)
C26H24N6O2

>  <MolWeight> (143)
452.50776

>  <Cat> (143)
S7936

>  <Name> (143)
Belumosudil (KD025)

>  <Synonyms> (143)
SLx-2119

>  <Target> (143)
ROCK

>  <Form> (143)
free base

>  <CAS> (143)
911417-87-3

>  <URL> (143)
http://selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (144)
3046

>  <Formula> (144)
C19H14O4

>  <MolWeight> (144)
306.31206

>  <Cat> (144)
S7951

>  <Name> (144)
Ochromycinone (STA-21)

>  <Synonyms> (144)
N/A

>  <Target> (144)
STAT

>  <Form> (144)
free base

>  <CAS> (144)
111540-00-2

>  <URL> (144)
http://selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (145)
3058

>  <Formula> (145)
C19H19ClN4O3

>  <MolWeight> (145)
386.83216

>  <Cat> (145)
S8178

>  <Name> (145)
Wnt agonist 1

>  <Synonyms> (145)
BML-284 HCL, BML-284 hydrochloride, AMBMP hydrochloride, AMBMP HCL

>  <Target> (145)
Wnt/beta-catenin

>  <Form> (145)
hydrochloride

>  <CAS> (145)
2095432-75-8

>  <URL> (145)
http://selleckchem.com/products/wnt-agonist-1.html

$$$$
NSC348884.cdx
csChFnd80/12102409592D

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 31 34  1  0  0  0  0
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 37 32  1  0  0  0  0
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M  END
>  <Mol_ID> (146)
3067

>  <Formula> (146)
C38H40N10

>  <MolWeight> (146)
636.7912

>  <Cat> (146)
S8149

>  <Name> (146)
NSC348884

>  <Synonyms> (146)
N/A

>  <Target> (146)
Apoptosis related,p53

>  <Form> (146)
free base

>  <CAS> (146)
81624-55-7

>  <URL> (146)
http://selleckchem.com/products/nsc348884.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/12102409592D

 31 32  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
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M  END
>  <Mol_ID> (147)
3068

>  <Formula> (147)
C19H27N5O6S

>  <MolWeight> (147)
453.51258

>  <Cat> (147)
S8195

>  <Name> (147)
Oclacitinib?maleate

>  <Synonyms> (147)
PF-03394197

>  <Target> (147)
JAK

>  <Form> (147)
maleate

>  <CAS> (147)
1640292-55-2

>  <URL> (147)
http://selleckchem.com/products/oclacitinib-maleate.html

$$$$
AS1842856.cdx
csChFnd80/12102409592D

 25 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 10 15  2  0  0  0  0
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M  END
>  <Mol_ID> (148)
3078

>  <Formula> (148)
C18H22FN3O3

>  <MolWeight> (148)
347.3839832

>  <Cat> (148)
S8222

>  <Name> (148)
AS1842856

>  <Synonyms> (148)
N/A

>  <Target> (148)
Autophagy,FOX

>  <Form> (148)
free base

>  <CAS> (148)
836620-48-5

>  <URL> (148)
http://selleckchem.com/products/as1842856.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/12102409592D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 30 24  1  0  0  0  0
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 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (149)
3092

>  <Formula> (149)
C27H25F3N8O2

>  <MolWeight> (149)
550.5350096

>  <Cat> (149)
S7752

>  <Name> (149)
Pluripotin (SC1)

>  <Synonyms> (149)
N/A

>  <Target> (149)
ERK,S6 Kinase

>  <Form> (149)
free base

>  <CAS> (149)
839707-37-8

>  <URL> (149)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
IMR-1.cdx
csChFnd80/12102409592D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (150)
3140

>  <Formula> (150)
C15H15NO5S2

>  <MolWeight> (150)
353.4133

>  <Cat> (150)
S8280

>  <Name> (150)
IMR-1

>  <Synonyms> (150)
N/A

>  <Target> (150)
Notch

>  <Form> (150)
free base

>  <CAS> (150)
310456-65-6

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

$$$$
IQ-1.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (151)
3141

>  <Formula> (151)
C21H22N4O2

>  <MolWeight> (151)
362.42498

>  <Cat> (151)
S8248

>  <Name> (151)
IQ-1

>  <Synonyms> (151)
N/A

>  <Target> (151)
PP2A,Wnt/beta-catenin

>  <Form> (151)
free base

>  <CAS> (151)
331001-62-8

>  <URL> (151)
http://selleckchem.com/products/iq-1.html

$$$$
PRIMA-1.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (152)
3169

>  <Formula> (152)
C9H15NO3

>  <MolWeight> (152)
185.2203

>  <Cat> (152)
S7723

>  <Name> (152)
PRIMA-1

>  <Synonyms> (152)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (152)
p53

>  <Form> (152)
free base

>  <CAS> (152)
5608-24-2

>  <URL> (152)
http://selleckchem.com/products/prima-1.html

$$$$
SIS3.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (153)
3174

>  <Formula> (153)
C28H28ClN3O3

>  <MolWeight> (153)
489.99322

>  <Cat> (153)
S7959

>  <Name> (153)
SIS3 HCl

>  <Synonyms> (153)
N/A

>  <Target> (153)
TGF-beta/Smad

>  <Form> (153)
hydrochloride

>  <CAS> (153)
521984-48-5

>  <URL> (153)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
MK-4101.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (154)
3175

>  <Formula> (154)
C24H24F5N5O

>  <MolWeight> (154)
493.472276

>  <Cat> (154)
S8200

>  <Name> (154)
MK-4101

>  <Synonyms> (154)
N/A

>  <Target> (154)
Hedgehog/Smoothened

>  <Form> (154)
free base

>  <CAS> (154)
935273-79-3

>  <URL> (154)
http://selleckchem.com/products/mk-4101.html

$$$$
KYA1797K.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (155)
3185

>  <Formula> (155)
C17H11KN2O6S2

>  <MolWeight> (155)
442.50734

>  <Cat> (155)
S8327

>  <Name> (155)
KYA1797K

>  <Synonyms> (155)
N/A

>  <Target> (155)
Wnt/beta-catenin

>  <Form> (155)
potassium salt

>  <CAS> (155)
1956356-56-1

>  <URL> (155)
http://selleckchem.com/products/kya1797k.html

$$$$
BMS-911543.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (156)
3198

>  <Formula> (156)
C23H28N8O

>  <MolWeight> (156)
432.52142

>  <Cat> (156)
S7144

>  <Name> (156)
BMS-911543

>  <Target> (156)
JAK

>  <Form> (156)
free base

>  <CAS> (156)
1271022-90-2

>  <URL> (156)
http://selleckchem.com/products/bms-911543.html

$$$$
Alantolactone.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (157)
3213

>  <Formula> (157)
C15H20O2

>  <MolWeight> (157)
232.3181

>  <Cat> (157)
S8318

>  <Name> (157)
Alantolactone

>  <Synonyms> (157)
helenin, helenine, Eupatal

>  <Target> (157)
TGF-beta/Smad

>  <Form> (157)
free base

>  <CAS> (157)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/12102409592D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
3215

>  <Formula> (158)
C14H14N4O3

>  <MolWeight> (158)
286.28596

>  <Cat> (158)
S8320

>  <Name> (158)
SKL2001

>  <Synonyms> (158)
N/A

>  <Target> (158)
Wnt/beta-catenin

>  <Form> (158)
free base

>  <CAS> (158)
909089-13-0

>  <URL> (158)
http://selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/12102409592D

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 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (159)
3225

>  <Formula> (159)
C29H31ClN8O5

>  <MolWeight> (159)
607.06004

>  <Cat> (159)
S7687

>  <Name> (159)
GSK269962A HCl

>  <Synonyms> (159)
GSK269962B, GSK269962, GSK 269962

>  <Target> (159)
ROCK

>  <Form> (159)
hydrochloride

>  <CAS> (159)
2095432-71-4

>  <URL> (159)
http://selleckchem.com/products/gsk269962.html

$$$$
XMU-MP-1.cdx
csChFnd80/12102409592D

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 10 14  2  0  0  0  0
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 28  9  1  0  0  0  0
M  END
>  <Mol_ID> (160)
3251

>  <Formula> (160)
C17H16N6O3S2

>  <MolWeight> (160)
416.47734

>  <Cat> (160)
S8334

>  <Name> (160)
XMU-MP-1

>  <Synonyms> (160)
N/A

>  <Target> (160)
MST

>  <Form> (160)
free base

>  <CAS> (160)
2061980-01-4

>  <URL> (160)
http://selleckchem.com/products/xmu-mp-1.html

$$$$
Y-39983 HCl.cdx
csChFnd80/12102409592D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   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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M  END
>  <Mol_ID> (161)
3252

>  <Formula> (161)
C16H18Cl2N4O

>  <MolWeight> (161)
353.24632

>  <Cat> (161)
S7935

>  <Name> (161)
Y-39983 HCl

>  <Synonyms> (161)
Y-33075 HCl

>  <Target> (161)
ROCK

>  <Form> (161)
dihydrochloride

>  <CAS> (161)
173897-44-4

>  <URL> (161)
http://selleckchem.com/products/y-39983-hcl.html

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/12102409592D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (162)
3253

>  <Formula> (162)
C10H17NO3

>  <MolWeight> (162)
199.24688

>  <Cat> (162)
S7724

>  <Name> (162)
Eprenetapopt (APR-246)

>  <Synonyms> (162)
PRIMA-1MET

>  <Target> (162)
Apoptosis related,Autophagy,p53

>  <Form> (162)
free base

>  <CAS> (162)
5291-32-7

>  <URL> (162)
http://selleckchem.com/products/apr-246-prima-1met.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12102409592D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  3  1  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (163)
3256

>  <Formula> (163)
C21H20N2O3S

>  <MolWeight> (163)
380.4601

>  <Cat> (163)
S8448

>  <Name> (163)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (163)
N/A

>  <Target> (163)
ROCK

>  <Form> (163)
free base

>  <CAS> (163)
557782-81-7

>  <URL> (163)
http://selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
LY3039478.cdx
csChFnd80/12102409592D

 33 35  0  0  0  0  0  0  0  0999 V2000
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1421438-81-4

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>  <Mol_ID> (167)
3288

>  <Formula> (167)
C29H28F5N3O5S

>  <MolWeight> (167)
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>  <Cat> (167)
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>  <Name> (167)
SH5-07 (SH-5-07)

>  <Synonyms> (167)
N/A

>  <Target> (167)
STAT

>  <Form> (167)
free base

>  <CAS> (167)
1456632-41-9

>  <URL> (167)
http://selleckchem.com/products/sh5-07.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/12102409592D

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>  <Mol_ID> (168)
3303

>  <Formula> (168)
C19H15N3O2

>  <MolWeight> (168)
317.3413

>  <Cat> (168)
S7954

>  <Name> (168)
CP21R7 (CP21)

>  <Synonyms> (168)
N/A

>  <Target> (168)
GSK-3,Wnt/beta-catenin

>  <Form> (168)
free base

>  <CAS> (168)
125314-13-8

>  <URL> (168)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/12102409592D

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A   23
xH2O
M  END
>  <Mol_ID> (169)
3308

>  <Formula> (169)
C14H18ClN3O3RS

>  <MolWeight> (169)
343.82902

>  <Cat> (169)
S8208

>  <Name> (169)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (169)
N/A

>  <Target> (169)
ROCK

>  <Form> (169)
hydrochloride

>  <CAS> (169)
155558-32-0 (HCl salt)

>  <URL> (169)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
LF3.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (170)
3322

>  <Formula> (170)
C20H24N4O2S2

>  <MolWeight> (170)
416.56016

>  <Cat> (170)
S8474

>  <Name> (170)
LF3

>  <Synonyms> (170)
N/A

>  <Target> (170)
Wnt/beta-catenin

>  <Form> (170)
free base

>  <CAS> (170)
664969-54-4

>  <URL> (170)
http://selleckchem.com/products/lf3.html

$$$$
HJC0152.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (171)
3382

>  <Formula> (171)
C15H14Cl3N3O4

>  <MolWeight> (171)
406.64836

>  <Cat> (171)
S8561

>  <Name> (171)
HJC0152

>  <Synonyms> (171)
N/A

>  <Target> (171)
STAT

>  <Form> (171)
hydrochloride

>  <CAS> (171)
1420290-99-8

>  <URL> (171)
http://selleckchem.com/products/hjc0152.html

$$$$
LYN-1604.cdx
csChFnd80/12102409592D

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N/A

>  <Target> (172)
Autophagy,ULK

>  <Form> (172)
dihydrochloride

>  <CAS> (172)
2088939-99-3

>  <URL> (172)
http://selleckchem.com/products/lyn-1604.html

$$$$
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>  <Mol_ID> (173)
3421

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C24H25FN6O2

>  <MolWeight> (173)
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GNF-6231

>  <Synonyms> (173)
N/A

>  <Target> (173)
PORCN

>  <Form> (173)
free base

>  <CAS> (173)
1243245-18-2

>  <URL> (173)
http://selleckchem.com/products/gnf-6231.html

$$$$
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COTI-2

>  <Synonyms> (174)
N/A

>  <Target> (174)
p53

>  <Form> (174)
free base

>  <CAS> (174)
1039455-84-9

>  <URL> (174)
http://selleckchem.com/products/coti-2.html

$$$$
iCRT3.cdx
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>  <Mol_ID> (175)
3436

>  <Formula> (175)
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>  <MolWeight> (175)
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N/A

>  <Target> (175)
Wnt/beta-catenin

>  <Form> (175)
free base

>  <CAS> (175)
901751-47-1

>  <URL> (175)
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$$$$
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M  END
>  <Mol_ID> (176)
3437

>  <Formula> (176)
C27H21NO5S

>  <MolWeight> (176)
471.52434

>  <Cat> (176)
S8605

>  <Name> (176)
C188-9

>  <Synonyms> (176)
TTI 101

>  <Target> (176)
STAT

>  <Form> (176)
free base

>  <CAS> (176)
432001-19-9

>  <URL> (176)
http://selleckchem.com/products/c188-9.html

$$$$
CA3.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (177)
3461

>  <Formula> (177)
C23H27N3O5S2

>  <MolWeight> (177)
489.60758

>  <Cat> (177)
S8661

>  <Name> (177)
CA3 (CIL56)

>  <Synonyms> (177)
N/A

>  <Target> (177)
Ferroptosis,ROS,TEAD,YAP

>  <Form> (177)
free base

>  <CAS> (177)
300802-28-2

>  <URL> (177)
http://selleckchem.com/products/ca3.html

$$$$
S5115 Sodium L-ascorbyl-2-phosphate.cdx
csChFnd80/12102409592D

 20 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
3489

>  <Formula> (178)
C6H6Na3O9P

>  <MolWeight> (178)
322.049511

>  <Cat> (178)
S5115

>  <Name> (178)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (178)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (178)
c-Met

>  <Form> (178)
sodium salt

>  <CAS> (178)
66170-10-3

>  <URL> (178)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/12102409592D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
3492

>  <Formula> (179)
C15H19N5O

>  <MolWeight> (179)
285.34426

>  <Cat> (179)
S8538

>  <Name> (179)
Ritlecitinib (PF-06651600)

>  <Synonyms> (179)
N/A

>  <Target> (179)
JAK

>  <Form> (179)
free base

>  <CAS> (179)
1792180-81-4

>  <URL> (179)
http://selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (180)
3517

>  <Formula> (180)
C15H10O5

>  <MolWeight> (180)
270.2369

>  <Cat> (180)
S8696

>  <Name> (180)
2-D08

>  <Synonyms> (180)
2',3',4'-trihydroxy flavone

>  <Target> (180)
SUMO

>  <Form> (180)
free base

>  <CAS> (180)
144707-18-6

>  <URL> (180)
http://selleckchem.com/products/2-d08.html

$$$$
IWP-O1.cdx
csChFnd80/12102409592D

 33 37  0  0  0  0  0  0  0  0999 V2000
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2074607-48-8

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csChFnd80/12102409592D

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M  END
>  <Mol_ID> (186)
3860

>  <Formula> (186)
C49H76O20

>  <MolWeight> (186)
985.11574

>  <Cat> (186)
S5554

>  <Name> (186)
Lanatoside C

>  <Synonyms> (186)
N/A

>  <Target> (186)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (186)
free base

>  <CAS> (186)
17575-22-3

>  <URL> (186)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/12102409592D

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  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (187)
3882

>  <Formula> (187)
C4H9N3O2

>  <MolWeight> (187)
131.13316

>  <Cat> (187)
S5588

>  <Name> (187)
Creatine

>  <Synonyms> (187)
Methylguanidoacetic acid

>  <Target> (187)
IFN,JAK

>  <Form> (187)
free base

>  <CAS> (187)
57-00-1

>  <URL> (187)
http://selleckchem.com/products/creatine.html

$$$$
S9416 Triptonide.cdx
csChFnd80/12102409592D

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    3.4990    1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (188)
4029

>  <Formula> (188)
C20H22O6

>  <MolWeight> (188)
358.38508

>  <Cat> (188)
S9416

>  <Name> (188)
Triptonide

>  <Target> (188)
Wnt/beta-catenin

>  <Form> (188)
free base

>  <CAS> (188)
38647-11-9

>  <URL> (188)
https://www.selleckchem.com/products/triptonide.html

$$$$

csChFnd80/12102409592D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (189)
4062

>  <Formula> (189)
C10H14N4O2

>  <MolWeight> (189)
222.24376

>  <Cat> (189)
S5836

>  <Name> (189)
IBMX

>  <Synonyms> (189)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (189)
PDE

>  <Form> (189)
Free Base

>  <CAS> (189)
28822-58-4

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

$$$$

csChFnd80/12102409592D

 12 12  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> (190)
4088

>  <Formula> (190)
C6H6Br6

>  <MolWeight> (190)
557.53584

>  <Cat> (190)
S5902

>  <Name> (190)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (190)
NSC7908

>  <Target> (190)
JAK

>  <Form> (190)
Free Base

>  <CAS> (190)
1837-91-8

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

$$$$

csChFnd80/12102409592D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (191)
4089

>  <Formula> (191)
C16H15N3O3

>  <MolWeight> (191)
297.3086

>  <Cat> (191)
S5903

>  <Name> (191)
JANEX-1

>  <Synonyms> (191)
WHI-P131

>  <Target> (191)
JAK

>  <Form> (191)
Free Base

>  <CAS> (191)
202475-60-3

>  <URL> (191)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/12102409592D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
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 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> (192)
4090

>  <Formula> (192)
C16H13Br2N3O3

>  <MolWeight> (192)
455.10072

>  <Cat> (192)
S5904

>  <Name> (192)
WHI-P97

>  <Synonyms> (192)
N/A

>  <Target> (192)
JAK

>  <Form> (192)
Free Base

>  <CAS> (192)
211555-05-4

>  <URL> (192)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/12102409592D

 29 33  0  0  0  0  0  0  0  0999 V2000
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   15.0473    6.2828    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
  1  3  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 22 24  1  0  0  0  0
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 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (193)
4101

>  <Formula> (193)
C22H23N5O2

>  <MolWeight> (193)
389.45032

>  <Cat> (193)
S5917

>  <Name> (193)
Solcitinib

>  <Synonyms> (193)
GLPG0778, GSK2586184

>  <Target> (193)
JAK

>  <Form> (193)
Free Base

>  <CAS> (193)
1206163-45-2

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

$$$$

csChFnd80/12102409592D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (194)
4103

>  <Formula> (194)
C18H22ClN5S

>  <MolWeight> (194)
375.91878

>  <Cat> (194)
S5919

>  <Name> (194)
KHS101 hydrochloride

>  <Synonyms> (194)
N/A

>  <Target> (194)
Microtubule Associated,TACC3

>  <Form> (194)
hydrochloride

>  <CAS> (194)
1784282-12-7

>  <URL> (194)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/12102409592D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (195)
4133

>  <Formula> (195)
C14H11ClN4S2

>  <MolWeight> (195)
334.84694

>  <Cat> (195)
S8700

>  <Name> (195)
TP0427736 HCl

>  <Synonyms> (195)
N/A

>  <Target> (195)
TGF-beta/Smad

>  <Form> (195)
hydrochloride

>  <CAS> (195)
864374-00-5

>  <URL> (195)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/12102409592D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (196)
4150

>  <Formula> (196)
C29H24FN7O

>  <MolWeight> (196)
505.5455632

>  <Cat> (196)
S8761

>  <Name> (196)
Adavivint (SM04690)

>  <Synonyms> (196)
Lorecivivint

>  <Target> (196)
Wnt/beta-catenin

>  <Form> (196)
Free Base

>  <CAS> (196)
1467093-03-3

>  <URL> (196)
http://www.selleckchem.com/products/adavivint.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/12102409592D

 40 44  0  0  0  0  0  0  0  0999 V2000
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   11.7320    1.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5466    5.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (197)
4160

>  <Formula> (197)
C29H39NO9

>  <MolWeight> (197)
545.62126

>  <Cat> (197)
S9015

>  <Name> (197)
Homoharringtonine (CGX-635)

>  <Synonyms> (197)
Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633

>  <Target> (197)
STAT

>  <CAS> (197)
26833-87-4

>  <URL> (197)
https://www.selleckchem.com/products/homoharringtonine.html

$$$$
S9297 Kirenol.cdx
csChFnd80/12102409592D

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M  END
>  <Mol_ID> (198)
4372

>  <Formula> (198)
C20H34O4

>  <MolWeight> (198)
338.48156

>  <Cat> (198)
S9297

>  <Name> (198)
Kirenol

>  <Target> (198)
Immunology & Inflammation related

>  <Form> (198)
free base

>  <CAS> (198)
52659-56-0

>  <URL> (198)
https://www.selleckchem.com/products/kirenol.html

$$$$

csChFnd80/12102409592D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
4690

>  <Formula> (199)
C16H17BrN2S

>  <MolWeight> (199)
349.28858

>  <Cat> (199)
S5791

>  <Name> (199)
Cyclic Pifithrin-¦Á hydrobromide

>  <Synonyms> (199)
N/A

>  <Target> (199)
p53

>  <Form> (199)
hydrobromide

>  <CAS> (199)
511296-88-1

>  <URL> (199)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/12102409592D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
4708

>  <Formula> (200)
C18H19F3N2O4S2

>  <MolWeight> (200)
448.4796696

>  <Cat> (200)
S5815

>  <Name> (200)
WAY-316606

>  <Synonyms> (200)
N/A

>  <Target> (200)
SFRP,Wnt/beta-catenin

>  <Form> (200)
Free Base

>  <CAS> (200)
915759-45-4

>  <URL> (200)
http://www.selleckchem.com/products/way-316606.html

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csChFnd80/12102409592D

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M  END
>  <Mol_ID> (201)
4725

>  <Formula> (201)
C24H29N5O3

>  <MolWeight> (201)
435.51876

>  <Cat> (201)
S8772

>  <Name> (201)
LY 3200882

>  <Synonyms> (201)
N/A

>  <Target> (201)
TGF-beta/Smad

>  <Form> (201)
Free Base

>  <CAS> (201)
1898283-02-7

>  <URL> (201)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/12102409592D

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M  END
>  <Mol_ID> (202)
5026

>  <Formula> (202)
C14H21N5O2S

>  <MolWeight> (202)
323.41384

>  <Cat> (202)
S8765

>  <Name> (202)
Abrocitinib (PF-04965842)

>  <Synonyms> (202)
N/A

>  <Target> (202)
JAK

>  <Form> (202)
free base

>  <CAS> (202)
1622902-68-4

>  <URL> (202)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/12102409592D

 28 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  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 12  7  1  0  0  0  0
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 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> (203)
5083

>  <Formula> (203)
C18H21F2N7O

>  <MolWeight> (203)
389.4024464

>  <Cat> (203)
S8804

>  <Name> (203)
Brepocitinib (PF-06700841)

>  <Synonyms> (203)
PF-841

>  <Target> (203)
JAK

>  <Form> (203)
Free Base

>  <CAS> (203)
1883299-62-4

>  <URL> (203)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/12102409592D

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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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
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  9 11  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
5101

>  <Formula> (204)
C13H8Cl2N2O4

>  <MolWeight> (204)
327.11962

>  <Cat> (204)
S3030

>  <Name> (204)
Niclosamide (BAY2353)

>  <Synonyms> (204)
Niclocide, NSC 178296

>  <Target> (204)
Autophagy,STAT

>  <Form> (204)
Free Base

>  <CAS> (204)
50-65-7

>  <URL> (204)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

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M  END
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5204

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C19H18N4O3

>  <MolWeight> (205)
350.37122

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S8684

>  <Name> (205)
Selective JAK3 inhibitor 1

>  <Synonyms> (205)
N/A

>  <Target> (205)
JAK

>  <Form> (205)
Free Base

>  <CAS> (205)
1443235-95-7

>  <URL> (205)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/12102409592D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
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6450

>  <Formula> (206)
C14H14ClFN8

>  <MolWeight> (206)
348.7659632

>  <Cat> (206)
S2162

>  <Name> (206)
AZD1480

>  <Synonyms> (206)
N/A

>  <Target> (206)
JAK

>  <Form> (206)
free base

>  <CAS> (206)
935666-88-9

>  <URL> (206)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/12102409592D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (207)
6467

>  <Formula> (207)
C16H13ClN4

>  <MolWeight> (207)
296.75422

>  <Cat> (207)
S6499

>  <Name> (207)
PF-6260933

>  <Synonyms> (207)
PF-06260933

>  <Target> (207)
MAP4K

>  <Form> (207)
free base

>  <CAS> (207)
1811510-56-1

>  <URL> (207)
http://www.selleck.cn/products/pf-6260933.html

$$$$

csChFnd80/12102409592D

 21 23  0  0  0  0  0  0  0  0999 V2000
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (208)
6484

>  <Formula> (208)
C16H15N3O2

>  <MolWeight> (208)
281.3092

>  <Cat> (208)
S6521

>  <Name> (208)
WHI-P258

>  <Synonyms> (208)
N/A

>  <Target> (208)
JAK

>  <Form> (208)
free base

>  <CAS> (208)
21561-09-1

>  <URL> (208)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/12102409592D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (209)
6487

>  <Formula> (209)
C23H24N2O

>  <MolWeight> (209)
344.44946

>  <Cat> (209)
S6524

>  <Name> (209)
NSC 42834

>  <Synonyms> (209)
JAK2 Inhibitor V, Z3

>  <Target> (209)
JAK

>  <Form> (209)
free base

>  <CAS> (209)
195371-52-9

>  <URL> (209)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/12102409592D

 25 28  0  0  0  0  0  0  0  0999 V2000
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315703-52-7

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iCRT14

>  <Synonyms> (211)
N/A

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free base

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677331-12-3

>  <URL> (211)
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Interleukins

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Free Base

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108237-91-8

>  <URL> (212)
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1638250-96-0

>  <URL> (213)
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867017-68-3

>  <URL> (214)
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N/A

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>  <URL> (215)
http://www.selleck.cn/products/itd-1.html

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N/A

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>  <CAS> (216)
664993-53-7

>  <URL> (216)
http://www.selleck.cn/products/jw55.html

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N/A

>  <Target> (217)
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>  <CAS> (217)
1315355-93-1

>  <URL> (217)
http://www.selleck.cn/products/ng25.html

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>  <CAS> (218)
334951-90-5

>  <URL> (218)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/12102409592D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (219)
6691

>  <Formula> (219)
C20H31N3O

>  <MolWeight> (219)
329.47964

>  <Cat> (219)
S6654

>  <Name> (219)
SRI-011381

>  <Synonyms> (219)
N/A

>  <Target> (219)
TGF-beta/Smad

>  <Form> (219)
Free Base

>  <CAS> (219)
1629138-41-5

>  <URL> (219)
http://www.selleck.cn/products/sri-011381.html

$$$$

csChFnd80/12102409592D

 42 46  0  0  0  0  0  0  0  0999 V2000
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 11  6  1  0  0  0  0
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 13  9  1  0  0  0  0
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M  END
>  <Mol_ID> (220)
6731

>  <Formula> (220)
C28H34O14

>  <MolWeight> (220)
594.56116

>  <Cat> (220)
S9235

>  <Name> (220)
Didymin

>  <Synonyms> (220)
Neoponcirin, Isosakuranetin-7-O-rutinoside

>  <Target> (220)
p53

>  <Form> (220)
Free Base

>  <CAS> (220)
14259-47-3

>  <URL> (220)
http://www.selleck.cn/products/didymin.html

$$$$

csChFnd80/12102409592D

 21 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 14 16  1  0  0  0  0
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 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
6758

>  <Formula> (221)
C12H15N3O6

>  <MolWeight> (221)
297.264

>  <Cat> (221)
S2427

>  <Name> (221)
Triglycidyl Isocyanurate (Teroxirone)

>  <Synonyms> (221)
Tris(2,3-epoxypropyl) Isocyanurate, TGI, TGIC

>  <Target> (221)
DNA/RNA Synthesis,p53

>  <Form> (221)
Free Base

>  <CAS> (221)
2451-62-9

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

$$$$

csChFnd80/12102409592D

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  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (222)
6773

>  <Formula> (222)
C15H11ClF3NO

>  <MolWeight> (222)
313.7021496

>  <Cat> (222)
S8951

>  <Name> (222)
TED-347

>  <Synonyms> (222)
N/A

>  <Target> (222)
TEAD,YAP

>  <Form> (222)
Free Base

>  <CAS> (222)
2378626-29-8

>  <URL> (222)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/12102409592D

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    2.1188    3.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  7 11  1  0  0  0  0
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M  END
>  <Mol_ID> (223)
6785

>  <Formula> (223)
C20H13FN4O2

>  <MolWeight> (223)
360.3412232

>  <Cat> (223)
S5183

>  <Name> (223)
PD 169316

>  <Synonyms> (223)
N/A

>  <Target> (223)
Enterovirus,p38 MAPK,TGF-beta/Smad

>  <Form> (223)
Free Base

>  <CAS> (223)
152121-53-4

>  <URL> (223)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12102409592D

 22 24  0  0  0  0  0  0  0  0999 V2000
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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  2  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
 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
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (224)
6799

>  <Formula> (224)
C16H11N3O3

>  <MolWeight> (224)
293.27684

>  <Cat> (224)
S6784

>  <Name> (224)
STAT5-IN-1

>  <Synonyms> (224)
N/A

>  <Target> (224)
STAT

>  <Form> (224)
Free Base

>  <CAS> (224)
285986-31-4

>  <URL> (224)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/12102409592D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
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  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (225)
6812

>  <Formula> (225)
C20H13F2N3

>  <MolWeight> (225)
333.3341264

>  <Cat> (225)
S6807

>  <Name> (225)
TA-02

>  <Synonyms> (225)
N/A

>  <Target> (225)
p38 MAPK,TGF-beta/Smad

>  <Form> (225)
Free Base

>  <CAS> (225)
1784751-19-4

>  <URL> (225)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12102409592D

 14 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
6823

>  <Formula> (226)
C12H8N2

>  <MolWeight> (226)
180.20532

>  <Cat> (226)
S6830

>  <Name> (226)
o-Phenanthroline

>  <Synonyms> (226)
1,10-Phenanthroline, phen

>  <Target> (226)
MMP

>  <Form> (226)
Free Base

>  <CAS> (226)
66-71-7

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

$$$$

csChFnd80/12102409592D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (227)
6854

>  <Formula> (227)
C26H34N6O3S

>  <MolWeight> (227)
510.65156

>  <Cat> (227)
S0391

>  <Name> (227)
TG-89

>  <Synonyms> (227)
N/A

>  <Target> (227)
JAK

>  <Form> (227)
Free Base

>  <CAS> (227)
936091-56-4

>  <URL> (227)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/12102409592D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (228)
6864

>  <Formula> (228)
C14H10BrNOS

>  <MolWeight> (228)
320.2043

>  <Cat> (228)
S0523

>  <Name> (228)
SB 4

>  <Synonyms> (228)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (228)
TGF-beta/Smad

>  <Form> (228)
Free Base

>  <CAS> (228)
100874-08-6

>  <URL> (228)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12102409592D

 21 22  0  0  0  0  0  0  0  0999 V2000
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  2  8  1  0  0  0  0
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  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (229)
6935

>  <Formula> (229)
C13H11NO5S2

>  <MolWeight> (229)
325.36014

>  <Cat> (229)
S0225

>  <Name> (229)
IMR-1A

>  <Synonyms> (229)
N/A

>  <Target> (229)
Notch

>  <Form> (229)
free base

>  <CAS> (229)
331862-41-0

>  <URL> (229)
http://www.selleckchem.com/products/imr-1a.html

$$$$

csChFnd80/12102409592D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  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 15  1  0  0  0  0
 15  9  1  0  0  0  0
 15 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
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 20 23  1  0  0  0  0
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M  END
>  <Mol_ID> (230)
6937

>  <Formula> (230)
C21H19N3O3

>  <MolWeight> (230)
361.39386

>  <Cat> (230)
S0268

>  <Name> (230)
DMX-5084

>  <Synonyms> (230)
N/A

>  <Target> (230)
MAP4K

>  <Form> (230)
free base

>  <CAS> (230)
2306178-56-1

>  <URL> (230)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/12102409592D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  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
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 13  1  0  0  0  0
 11 10  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 21  2  0  0  0  0
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M  END
>  <Mol_ID> (231)
6959

>  <Formula> (231)
C14H10N4O3S

>  <MolWeight> (231)
314.3192

>  <Cat> (231)
S0458

>  <Name> (231)
KY1220

>  <Synonyms> (231)
N/A

>  <Target> (231)
Ras,Wnt/beta-catenin

>  <Form> (231)
free base

>  <CAS> (231)
292168-79-7

>  <URL> (231)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12102409592D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10  1  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (232)
6970

>  <Formula> (232)
C23H40N2O3

>  <MolWeight> (232)
392.5753

>  <Cat> (232)
S0752

>  <Name> (232)
AUDA

>  <Synonyms> (232)
N/A

>  <Target> (232)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (232)
free base

>  <CAS> (232)
479413-70-2

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

$$$$

csChFnd80/12102409592D

 35 37  0  0  0  0  0  0  0  0999 V2000
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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   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    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
  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
  3 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
 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
 20 22  2  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 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
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (233)
6976

>  <Formula> (233)
C28H29NO6

>  <MolWeight> (233)
475.53296

>  <Cat> (233)
S0818

>  <Name> (233)
STAT3-IN-1

>  <Synonyms> (233)
N/A

>  <Target> (233)
STAT

>  <Form> (233)
free base

>  <CAS> (233)
2059952-75-7

>  <URL> (233)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/12102409592D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.1523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    5.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    7.3849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8101    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    9.4776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5380    6.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3316    6.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    8.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    8.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9287    6.4160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    8.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    4.8523    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
  4  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  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
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  2  0  0  0  0
 17 21  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  1  0  0  0  0
 25 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
  1 30  1  1  0  0  0
 10 31  1  1  0  0  0
  9 32  1  1  0  0  0
 12 33  1  1  0  0  0
 21 34  1  1  0  0  0
  2 35  1  6  0  0  0
  5 36  1  6  0  0  0
 11 37  1  6  0  0  0
 17 38  1  6  0  0  0
 21 39  1  6  0  0  0
 16 40  1  6  0  0  0
M  END
>  <Mol_ID> (234)
6982

>  <Formula> (234)
C30H48O7

>  <MolWeight> (234)
520.69792

>  <Cat> (234)
S0949

>  <Name> (234)
Cucurbitacin IIb

>  <Synonyms> (234)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (234)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (234)
free base

>  <CAS> (234)
50298-90-3

>  <URL> (234)
http://www.selleckchem.com/products/curcubitacin-iib.html

$$$$

csChFnd80/12102409592D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    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
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  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
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  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 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (235)
7002

>  <Formula> (235)
C7H14O6

>  <MolWeight> (235)
194.18246

>  <Cat> (235)
S3223

>  <Name> (235)
L-Quebrachitol

>  <Synonyms> (235)
L-QCT

>  <Target> (235)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (235)
free base

>  <CAS> (235)
642-38-6

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

$$$$

csChFnd80/12102409592D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (236)
7010

>  <Formula> (236)
C24H32O4

>  <MolWeight> (236)
384.50848

>  <Cat> (236)
S3238

>  <Name> (236)
Resibufogenin

>  <Synonyms> (236)
Bufogenin, Recibufogenin

>  <Target> (236)
Akt,Apoptosis related,Bcl-2,Caspase,CDK,GSK-3,Mixed Lineage Kinase,PI3K,RIP kinase,ROS,Wnt/beta-catenin

>  <Form> (236)
free base

>  <CAS> (236)
465-39-4

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

$$$$

csChFnd80/12102409592D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    9.0903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (237)
7033

>  <Formula> (237)
C27H30O15

>  <MolWeight> (237)
594.5181

>  <Cat> (237)
S3267

>  <Name> (237)
Kaempferol-3-O-rutinoside

>  <Synonyms> (237)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (237)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (237)
free base

>  <CAS> (237)
17650-84-9

>  <URL> (237)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/12102409592D

 19 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3951    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
    4.8497    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3119    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5223    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7328    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9432    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1536    4.8757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3660    4.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5785    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1552    6.2708    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  6  0  0  0
M  END
>  <Mol_ID> (238)
7053

>  <Formula> (238)
C17H24O2

>  <MolWeight> (238)
260.37126

>  <Cat> (238)
S3292

>  <Name> (238)
Falcarindiol

>  <Synonyms> (238)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (238)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (238)
free base

>  <CAS> (238)
225110-25-8

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

$$$$

csChFnd80/12102409592D

 30 35  0  0  0  0  0  0  0  0999 V2000
   12.6544    7.6448    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    3.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8171    1.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1080    2.6928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1054    6.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7951    7.5662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8914    1.3309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3303    7.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8914    3.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5667    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264    4.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6587    5.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7085    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    1.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7899    4.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1418    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5055    6.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611    6.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1138    4.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9328    3.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7863    3.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6876    6.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3257    3.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0805    6.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8995    5.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 18  1  0  0  0  0
  2 26  1  0  0  0  0
  3 19  1  0  0  0  0
  3 26  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  2  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  2  0  0  0  0
 22 24  2  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (239)
7144

>  <Formula> (239)
C22H13FN2O5

>  <MolWeight> (239)
404.3474232

>  <Cat> (239)
S9602

>  <Name> (239)
Elraglusib

>  <Synonyms> (239)
9-ing-41

>  <Target> (239)
Apoptosis related,GSK-3

>  <Form> (239)
free base

>  <CAS> (239)
1034895-42-5

>  <URL> (239)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/12102409592D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.0473    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    8.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0893    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    4.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2686    7.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6508    4.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208    2.1331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9558    3.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (240)
7188

>  <Formula> (240)
C21H18N2O

>  <MolWeight> (240)
314.38042

>  <Cat> (240)
S0765

>  <Name> (240)
MAZ51

>  <Synonyms> (240)
N/A

>  <Target> (240)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (240)
Free Base

>  <CAS> (240)
163655-37-6

>  <URL> (240)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/12102409592D

 23 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
    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
    6.0622    2.8000    0.0000 O   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
    8.4870    4.2000    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
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   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
  2  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
 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
 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
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (241)
7262

>  <Formula> (241)
C16H15FN2O4

>  <MolWeight> (241)
318.2997032

>  <Cat> (241)
S0153

>  <Name> (241)
SJ000291942

>  <Synonyms> (241)
N/A

>  <Target> (241)
TGF-beta/Smad

>  <Form> (241)
Free Base

>  <CAS> (241)
425613-09-8

>  <URL> (241)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12102409592D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (242)
7285

>  <Formula> (242)
C16H11N3O3

>  <MolWeight> (242)
293.27684

>  <Cat> (242)
S0354

>  <Name> (242)
Alsterpaullone

>  <Synonyms> (242)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (242)
Apoptosis related,Caspase,CDK,GSK-3

>  <Form> (242)
Free Base

>  <CAS> (242)
237430-03-4

>  <URL> (242)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/12102409592D

 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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    3.6373    4.2000    0.0000 O   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
    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
   13.3368    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3001    0.0000 N   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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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
   10.9119    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
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8002    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 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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9001    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
   14.5493    2.1002    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 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
 17 18  2  0  0  0  0
 18 26  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (243)
7289

>  <Formula> (243)
C17H14Cl2N6O

>  <MolWeight> (243)
389.23866

>  <Cat> (243)
S0384

>  <Name> (243)
RO495

>  <Synonyms> (243)
CS-2667

>  <Target> (243)
JAK

>  <Form> (243)
Free Base

>  <CAS> (243)
1258296-60-4

>  <URL> (243)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/12102409592D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2195    0.2653    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    1.5205    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1324    4.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    5.9451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1525    2.3422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7401    3.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2094    1.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8370    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5617    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1893    3.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5517    1.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 14  2  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
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  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
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  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> (244)
7323

>  <Formula> (244)
C18H13F2NO3

>  <MolWeight> (244)
329.2975264

>  <Cat> (244)
S0881

>  <Name> (244)
Mitochonic acid 5

>  <Synonyms> (244)
MA-5

>  <Target> (244)
ERK,Mitophagy,YAP

>  <Form> (244)
Free Base

>  <CAS> (244)
1354707-41-7

>  <URL> (244)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12102409592D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4248    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  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
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (245)
7471

>  <Formula> (245)
C15H15NO4S

>  <MolWeight> (245)
305.3489

>  <Cat> (245)
S6901

>  <Name> (245)
MSAB

>  <Synonyms> (245)
N/A

>  <Target> (245)
Wnt/beta-catenin

>  <Form> (245)
Free Base

>  <CAS> (245)
173436-66-3

>  <URL> (245)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/12102409592D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.1592    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8981    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4654    2.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0960    3.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7898    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4022    3.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3922    4.7414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3922    2.7615    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4123    4.7414    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
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 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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 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  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
M  END
>  <Mol_ID> (246)
7495

>  <Formula> (246)
C15H17F3N2O

>  <MolWeight> (246)
298.3034896

>  <Cat> (246)
S8950

>  <Name> (246)
MYF-01-37

>  <Synonyms> (246)
N/A

>  <Target> (246)
TEAD

>  <Form> (246)
Free Base

>  <CAS> (246)
2416417-65-5

>  <URL> (246)
https://www.selleckchem.com/products/myf-01-37.html

$$$$

csChFnd80/12102409592D

186188  0  0  0  0  0  0  0  0999 V2000
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   17.7097   25.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (247)
7504

>  <Formula> (247)
C119H206N32O35

>  <MolWeight> (247)
2645.10234

>  <Cat> (247)
S9664

>  <Name> (247)
Colivelin

>  <Synonyms> (247)
CLN

>  <Target> (247)
Beta Amyloid,STAT

>  <Form> (247)
Free Base

>  <CAS> (247)
867021-83-8

>  <URL> (247)
https://www.selleckchem.com/products/colivelin.html

$$$$

csChFnd80/12102409592D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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 17  9  1  0  0  0  0
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M  END
>  <Mol_ID> (248)
7523

>  <Formula> (248)
C15H18N2O

>  <MolWeight> (248)
242.31622

>  <Cat> (248)
S9719

>  <Name> (248)
CB-103

>  <Synonyms> (248)
N/A

>  <Target> (248)
Notch

>  <Form> (248)
Free Base

>  <CAS> (248)
218457-67-1

>  <URL> (248)
https://www.selleckchem.com/products/cb-103.html

$$$$

csChFnd80/12102409592D

 29 29  0  0  0  0  0  0  0  0999 V2000
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (249)
7824

>  <Formula> (249)
C22H28Cl2N4O

>  <MolWeight> (249)
435.38992

>  <Cat> (249)
E0035

>  <Name> (249)
CP-31398 Dihydrochloride

>  <Synonyms> (249)
N/A

>  <Target> (249)
p53

>  <Form> (249)
Dihydrochloride

>  <CAS> (249)
1217195-61-3

>  <URL> (249)
http://www.selleckchem.com/products/cp-31398-dihydrochloride.html

$$$$

csChFnd80/12102409592D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (250)
7926

>  <Formula> (250)
C20H22N4

>  <MolWeight> (250)
318.41548

>  <Cat> (250)
S9828

>  <Name> (250)
WAY-262611

>  <Synonyms> (250)
BML-WN110

>  <Target> (250)
Wnt/beta-catenin

>  <Form> (250)
Free Base

>  <CAS> (250)
1123231-07-1

>  <URL> (250)
http://www.selleckchem.com/products/way-262611.html

$$$$

csChFnd80/12102409592D

 34 38  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 22 27  2  0  0  0  0
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 24 25  1  0  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
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 29 30  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (251)
8031

>  <Formula> (251)
C28H28ClN3OS

>  <MolWeight> (251)
490.05942

>  <Cat> (251)
S6384

>  <Name> (251)
Smoothened Agonist (SAG)

>  <Synonyms> (251)
N/A

>  <Target> (251)
Hedgehog/Smoothened

>  <Form> (251)
Free Base

>  <CAS> (251)
912545-86-9

>  <URL> (251)
http://www.selleckchem.com/products/smoothened-agonist-sag.html

$$$$

csChFnd80/12102409592D

 22 24  0  0  0  0  0  0  0  0999 V2000
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1313491-22-3

>  <URL> (252)
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free base

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854847-61-3

>  <URL> (253)
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C31H29N3O5S

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>  <CAS> (254)
1263132-08-6

>  <URL> (254)
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 33 35  0  0  0  0  0  0  0  0999 V2000
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330829-30-6

>  <URL> (255)
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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
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M  END
>  <Mol_ID> (256)
8418

>  <Formula> (256)
C14H13NO2

>  <MolWeight> (256)
227.25852

>  <Cat> (256)
E0935

>  <Name> (256)
MS7972

>  <Target> (256)
p53

>  <Form> (256)
free base

>  <CAS> (256)
352553-42-5

>  <URL> (256)
http://www.selleckchem.com/products/ms7972.html

$$$$

csChFnd80/12102409592D

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M  END
>  <Mol_ID> (257)
8597

>  <Formula> (257)
C25H42N6O11S2

>  <MolWeight> (257)
666.76458

>  <Cat> (257)
P1216

>  <Name> (257)
Box5

>  <Target> (257)
Wnt/beta-catenin

>  <Form> (257)
free base

>  <CAS> (257)
881188-48-3

>  <URL> (257)
http://www.selleckchem.com/products/box5.html

$$$$

csChFnd80/12102409592D

 39 34  0  0  0  0  0  0  0  0999 V2000
    2.5133    2.9186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3119    4.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9274    2.4930    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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A   38
.
A   39
.
M  END
>  <Mol_ID> (258)
8616

>  <Formula> (258)
C12H12Mg3O18P2R2

>  <MolWeight> (258)
579.075402

>  <Cat> (258)
E2692

>  <Name> (258)
L-Ascorbic acid 2-phosphate sesquimagnesium salt

>  <Synonyms> (258)
2-Phospho-L-ascorbic acid magnesium

>  <Target> (258)
phosphatase,RUNX

>  <Form> (258)
sesquimagnesium salt

>  <CAS> (258)
113170-55-1

>  <URL> (258)
http://www.selleckchem.com/products/l-ascorbic-acid-2-phosphate-sesquimagnesium-salt.html

$$$$

csChFnd80/12102409592D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
8683

>  <Formula> (259)
C23H24ClN5O

>  <MolWeight> (259)
421.92256

>  <Cat> (259)
S7981

>  <Name> (259)
CCT251545

>  <Synonyms> (259)
N/A

>  <Target> (259)
CDK,Wnt/beta-catenin

>  <Form> (259)
Free base

>  <CAS> (259)
1661839-45-7

>  <URL> (259)
http://www.selleckchem.com/products/cct251545.html

$$$$

csChFnd80/12102409592D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 13 23  1  6  0  0  0
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 35 39  2  0  0  0  0
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M  END
>  <Mol_ID> (260)
8737

>  <Formula> (260)
C28H36N4O6S2

>  <MolWeight> (260)
588.73864

>  <Cat> (260)
S0733

>  <Name> (260)
Tegatrabetan (BC-2059)

>  <Synonyms> (260)
N/A

>  <Target> (260)
Wnt/beta-catenin

>  <Form> (260)
Free base

>  <CAS> (260)
1227637-23-1

>  <URL> (260)
http://www.selleckchem.com/products/tegatrabetan.html

$$$$

csChFnd80/12102409592D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (261)
8767

>  <Formula> (261)
C17H14FN3O2

>  <MolWeight> (261)
311.3103632

>  <Cat> (261)
S3376

>  <Name> (261)
RBPJ Inhibitor-1 (RIN1)

>  <Synonyms> (261)
N/A

>  <Target> (261)
Notch

>  <Form> (261)
Free base

>  <CAS> (261)
2682114-39-0

>  <URL> (261)
http://www.selleckchem.com/products/rin1.html

$$$$

csChFnd80/12102409592D

 36 41  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> (262)
8798

>  <Formula> (262)
C28H28FN5OS

>  <MolWeight> (262)
501.6182232

>  <Cat> (262)
S6668

>  <Name> (262)
NVS-ZP7-4

>  <Synonyms> (262)
N/A

>  <Target> (262)
Notch,Others

>  <Form> (262)
Free base

>  <CAS> (262)
2349367-89-9

>  <URL> (262)
http://www.selleckchem.com/products/nvs-zp7-4.html

$$$$

csChFnd80/12102409592D

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M  END
>  <Mol_ID> (263)
8867

>  <Formula> (263)
C33H35N6O7P

>  <MolWeight> (263)
658.640761

>  <Cat> (263)
S8968

>  <Name> (263)
PRI-724

>  <Synonyms> (263)
C-82 prodrug, ICG-001 analog

>  <Target> (263)
Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (263)
Free base

>  <CAS> (263)
1422253-38-0

>  <URL> (263)
http://www.selleckchem.com/products/pri-724.html

$$$$

csChFnd80/12102409592D

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M  END
>  <Mol_ID> (264)
9015

>  <Formula> (264)
C108H206N52O24

>  <MolWeight> (264)
2617.12524

>  <Cat> (264)
S8187

>  <Name> (264)
ReACp53

>  <Synonyms> (264)
N/A

>  <Target> (264)
p53

>  <Form> (264)
Free base

>  <URL> (264)
http://www.selleckchem.com/products/reacp53.html

$$$$

csChFnd80/12102409592D

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>  <Mol_ID> (265)
9034

>  <Formula> (265)
C23H20N4O3S3

>  <MolWeight> (265)
496.6249

>  <Cat> (265)
E0033

>  <Name> (265)
IWP-4

>  <Synonyms> (265)
N/A

>  <Target> (265)
Wnt/beta-catenin

>  <Form> (265)
Free base

>  <CAS> (265)
686772-17-8

>  <URL> (265)
http://www.selleckchem.com/products/iwp-4.html

$$$$
