Bosutinib (SKI-606).cdx
csChFnd80/12102409582D

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>  <Mol_ID> (1)
9

>  <Formula> (1)
C26H29Cl2N5O3

>  <MolWeight> (1)
530.44616

>  <Cat> (1)
S1014

>  <Name> (1)
Bosutinib (SKI-606)

>  <Synonyms> (1)
SKI-606

>  <Target> (1)
Autophagy,Bcr-Abl,ERK,S6 Kinase,Src,STAT

>  <Form> (1)
free base

>  <CAS> (1)
380843-75-4

>  <URL> (1)
http://selleckchem.com/products/Bosutinib.html

$$$$
Y-27632 2HCL.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (2)
33

>  <Formula> (2)
C14H23Cl2N3O

>  <MolWeight> (2)
320.25792

>  <Cat> (2)
S1049

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

>  <Synonyms> (2)
N/A

>  <Target> (2)
Autophagy,ROCK

>  <Form> (2)
Dihydrochloride

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

>  <URL> (2)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (3)
42

>  <Formula> (3)
C22H16N4O3

>  <MolWeight> (3)
384.38744

>  <Cat> (3)
S1067

>  <Name> (3)
SB431542

>  <Synonyms> (3)
N/A

>  <Target> (3)
TGF-beta/Smad

>  <Form> (3)
free base

>  <CAS> (3)
301836-41-9

>  <URL> (3)
http://selleckchem.com/products/SB-431542.html

$$$$
1.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (4)
45

>  <Formula> (4)
C19H12Cl2N2O2

>  <MolWeight> (4)
371.21678

>  <Cat> (4)
S1075

>  <Name> (4)
SB216763

>  <Synonyms> (4)
N/A

>  <Target> (4)
Autophagy,GSK-3

>  <Form> (4)
free base

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

>  <URL> (4)
http://selleckchem.com/products/SB-216763.html

$$$$
SB203580.cdx
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>  <Mol_ID> (5)
46

>  <Formula> (5)
C21H16FN3OS

>  <MolWeight> (5)
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>  <Cat> (5)
S1076

>  <Name> (5)
Adezmapimod (SB203580)

>  <Synonyms> (5)
RWJ 64809, PB 203580

>  <Target> (5)
Mitophagy,p38 MAPK

>  <Form> (5)
Free Base

>  <CAS> (5)
152121-47-6

>  <URL> (5)
http://selleckchem.com/products/SB-203580.html

$$$$
untitled.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (6)
50

>  <Formula> (6)
C19H14Cl2N2O3S

>  <MolWeight> (6)
421.29706

>  <Cat> (6)
S1082

>  <Name> (6)
Vismodegib (GDC-0449)

>  <Synonyms> (6)
GDC-0449

>  <Target> (6)
Hedgehog/Smoothened

>  <Form> (6)
free base

>  <CAS> (6)
879085-55-9

>  <URL> (6)
http://selleckchem.com/products/GDC-0449.html

$$$$
untitled.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (7)
66

>  <Formula> (7)
C19H17NO3

>  <MolWeight> (7)
307.34318

>  <Cat> (7)
S1105

>  <Name> (7)
LY294002

>  <Synonyms> (7)
SF 1101, NSC 697286

>  <Target> (7)
Apoptosis related,Autophagy,Casein Kinase,DNA-PK,PI3K

>  <Form> (7)
free base

>  <CAS> (7)
154447-36-6

>  <URL> (7)
http://selleckchem.com/products/LY294002.html

$$$$
AT9283.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (8)
81

>  <Formula> (8)
C19H23N7O2

>  <MolWeight> (8)
381.43162

>  <Cat> (8)
S1134

>  <Name> (8)
AT9283

>  <Synonyms> (8)
N/A

>  <Target> (8)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (8)
free base

>  <CAS> (8)
896466-04-9

>  <URL> (8)
http://selleckchem.com/products/AT9283.html

$$$$
AG-490.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (9)
86

>  <Formula> (9)
C17H14N2O3

>  <MolWeight> (9)
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>  <Cat> (9)
S1143

>  <Name> (9)
AG-490 (Tyrphostin B42)

>  <Synonyms> (9)
Zinc02557947

>  <Target> (9)
EGFR,JAK

>  <Form> (9)
free base

>  <CAS> (9)
133550-30-8

>  <URL> (9)
http://selleckchem.com/products/AG-490.html

$$$$
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E3 Ligase ,p53

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free base

>  <CAS> (11)
881202-45-5

>  <URL> (11)
http://selleckchem.com/products/JNJ-26854165.html

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108

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284028-89-3

>  <URL> (12)
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M  END
>  <Mol_ID> (14)
155

>  <Formula> (14)
C28H41N7O3

>  <MolWeight> (14)
523.67024

>  <Cat> (14)
S1264

>  <Name> (14)
PD173074

>  <Synonyms> (14)
N/A

>  <Target> (14)
Apoptosis related,FGFR,VEGFR

>  <Form> (14)
free base

>  <CAS> (14)
219580-11-7

>  <URL> (14)
http://selleckchem.com/products/PD-173074.html

$$$$
Dexamethasone.cdx
csChFnd80/12102409582D

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 10  5  1  0  0  0  0
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 14 21  1  1  0  0  0
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M  END
>  <Mol_ID> (15)
212

>  <Formula> (15)
C22H29FO5

>  <MolWeight> (15)
392.4610632

>  <Cat> (15)
S1322

>  <Name> (15)
Dexamethasone (MK-125)

>  <Synonyms> (15)
NSC 34521, Hexadecadrol, Prednisolone F,MK-125

>  <Target> (15)
Autophagy,Complement System,COVID-19,Glucocorticoid Receptor,IL Receptor,Mitophagy

>  <Form> (15)
free base

>  <CAS> (15)
50-02-2

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

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/12102409582D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    3.4951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2578    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (16)
217

>  <Formula> (16)
C17H19ClF3NO

>  <MolWeight> (16)
345.7870696

>  <Cat> (16)
S1333

>  <Name> (16)
Fluoxetine (Lilly 110140) HCl

>  <Synonyms> (16)
Prozac, Sarafem,LY-110140

>  <Target> (16)
5-HT Receptor

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
56296-78-7

>  <URL> (16)
http://selleckchem.com/products/Fluoxetine-hydrochloride.html

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/12102409582D

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   15.7253    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1460    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3633    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (17)
231

>  <Formula> (17)
C22H19Cl3N8

>  <MolWeight> (17)
501.79886

>  <Cat> (17)
S2924

>  <Name> (17)
Laduviglusib (CHIR-99021) HCl

>  <Synonyms> (17)
CT99021 HCl

>  <Target> (17)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (17)
Hydrochloride

>  <CAS> (17)
1797989-42-4

>  <URL> (17)
http://selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
resveratrol.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (18)
247

>  <Formula> (18)
C14H12O3

>  <MolWeight> (18)
228.24328

>  <Cat> (18)
S1396

>  <Name> (18)
Resveratrol (SRT501)

>  <Synonyms> (18)
trans-Resveratrol,SRT501

>  <Target> (18)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (18)
free base

>  <CAS> (18)
501-36-0

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

$$$$
Thiazovivin.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (19)
280

>  <Formula> (19)
C15H13N5OS

>  <MolWeight> (19)
311.36162

>  <Cat> (19)
S1459

>  <Name> (19)
Thiazovivin

>  <Synonyms> (19)
N/A

>  <Target> (19)
ROCK

>  <Form> (19)
free base

>  <CAS> (19)
1226056-71-8

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

$$$$
sp600125.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (20)
281

>  <Formula> (20)
C14H8N2O

>  <MolWeight> (20)
220.22612

>  <Cat> (20)
S1460

>  <Name> (20)
SP600125

>  <Synonyms> (20)
Nsc75890

>  <Target> (20)
Apoptosis related,Aurora Kinase,Autophagy,FLT3,JNK,Serine/threonin kinase,Trk receptor

>  <Form> (20)
free base

>  <CAS> (20)
129-56-6

>  <URL> (20)
http://selleckchem.com/products/SP600125.html

$$$$
GSK429286A.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (21)
289

>  <Formula> (21)
C21H16F4N4O2

>  <MolWeight> (21)
432.3709528

>  <Cat> (21)
S1474

>  <Name> (21)
GSK429286A

>  <Synonyms> (21)
RHO-15

>  <Target> (21)
ROCK

>  <Form> (21)
free base

>  <CAS> (21)
864082-47-3

>  <URL> (21)
http://selleckchem.com/products/GSK429286A.html

$$$$
SB525334.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (22)
291

>  <Formula> (22)
C21H21N5

>  <MolWeight> (22)
343.42494

>  <Cat> (22)
S1476

>  <Name> (22)
SB525334

>  <Synonyms> (22)
N/A

>  <Target> (22)
TGF-beta/Smad

>  <Form> (22)
free base

>  <CAS> (22)
356559-20-1

>  <URL> (22)
http://selleckchem.com/products/SB-525334.html

$$$$
Fludarabine.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (23)
303

>  <Formula> (23)
C10H12FN5O4

>  <MolWeight> (23)
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>  <Cat> (23)
S1491

>  <Name> (23)
Fludarabine (NSC 118218)

>  <Synonyms> (23)
FaraA, Fludarabinum, NSC 118218

>  <Target> (23)
Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite,STAT

>  <Form> (23)
Free Base

>  <CAS> (23)
21679-14-1

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

$$$$
AT7519.cdx
csChFnd80/12102409582D

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    9.4924    0.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8239    0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1150    2.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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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  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
>  <Mol_ID> (24)
313

>  <Formula> (24)
C16H17Cl2N5O2

>  <MolWeight> (24)
382.24448

>  <Cat> (24)
S1524

>  <Name> (24)
AT7519

>  <Synonyms> (24)
N/A

>  <Target> (24)
Apoptosis related,CDK,GSK-3

>  <Form> (24)
Free Base

>  <CAS> (24)
844442-38-2

>  <URL> (24)
http://selleckchem.com/products/AT7519.html

$$$$
Fasudil HCl.cdx
csChFnd80/12102409582D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1388    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (25)
346

>  <Formula> (25)
C14H18ClN3O2S

>  <MolWeight> (25)
327.82962

>  <Cat> (25)
S1573

>  <Name> (25)
Fasudil (HA-1077) HCl

>  <Synonyms> (25)
AT-877,HA-1077 HCl

>  <Target> (25)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (25)
Hydrochloride

>  <CAS> (25)
105628-07-7

>  <URL> (25)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
Semagacestat.cdx
csChFnd80/12102409582D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0453    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9791    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  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
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 12  1  0  0  0  0
 14 20  1  0  0  0  0
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 17 21  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 18  1  0  0  0  0
  2 25  1  6  0  0  0
  8 26  1  6  0  0  0
M  END
>  <Mol_ID> (26)
352

>  <Formula> (26)
C19H27N3O4

>  <MolWeight> (26)
361.43538

>  <Cat> (26)
S1594

>  <Name> (26)
Semagacestat (LY450139)

>  <Synonyms> (26)
N/A

>  <Target> (26)
Beta Amyloid,Notch,Secretase

>  <Form> (26)
free base

>  <CAS> (26)
425386-60-3

>  <URL> (26)
http://selleckchem.com/products/Semagacestat(LY450139).html

$$$$

csChFnd80/12102409582D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (27)
354

>  <Formula> (27)
C27H30Cl2F2N6O

>  <MolWeight> (27)
563.4695064

>  <Cat> (27)
S2686

>  <Name> (27)
NVP-BSK805 2HCl

>  <Synonyms> (27)
BSK805

>  <Target> (27)
JAK

>  <Form> (27)
HCl

>  <CAS> (27)
1092499-93-8 (free base)

>  <URL> (27)
http://selleckchem.com/products/nvp-bsk805.html

$$$$
Artesunate.cdx
csChFnd80/12102409582D

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 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> (28)
384

>  <Formula> (28)
C19H28O8

>  <MolWeight> (28)
384.42082

>  <Cat> (28)
S2265

>  <Name> (28)
Artesunate (WR-256283)

>  <Synonyms> (28)
WR-256283

>  <Target> (28)
ADC Cytotoxin,STAT

>  <Form> (28)
free base

>  <CAS> (28)
88495-63-0

>  <URL> (28)
http://selleckchem.com/products/Artesunate.html

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/12102409582D

 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
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 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> (29)
389

>  <Formula> (29)
C20H28O2

>  <MolWeight> (29)
300.43512

>  <Cat> (29)
S1653

>  <Name> (29)
Tretinoin (NSC 122758)

>  <Synonyms> (29)
Retinoic acid, All-trans Retinoic Acid, ATRA, Vitamin A acid, Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A,NSC 122758

>  <Target> (29)
Retinoid Receptor

>  <Form> (29)
free base

>  <CAS> (29)
302-79-4

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12102409582D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 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> (30)
452

>  <Formula> (30)
C8H12N4O5

>  <MolWeight> (30)
244.20468

>  <Cat> (30)
S1782

>  <Name> (30)
Azacitidine (5-Azacytidine)

>  <Synonyms> (30)
5-AzaC,Ladakamycin, AZA,5-Aza, CC-486,NSC 102816,5-Azacytidine

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

>  <Form> (30)
free base

>  <CAS> (30)
320-67-2

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

$$$$
Baricitinib.cdx
csChFnd80/12102409582D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
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 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  3  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (31)
465

>  <Formula> (31)
C16H17N7O2S

>  <MolWeight> (31)
371.41688

>  <Cat> (31)
S2851

>  <Name> (31)
Baricitinib (INCB028050)

>  <Synonyms> (31)
LY3009104

>  <Target> (31)
COVID-19,JAK

>  <Form> (31)
free base

>  <CAS> (31)
1187594-09-7

>  <URL> (31)
http://selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/12102409582D

 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> (32)
479

>  <Formula> (32)
C4H12ClN5

>  <MolWeight> (32)
165.62458

>  <Cat> (32)
S1950

>  <Name> (32)
Metformin HCl

>  <Synonyms> (32)
1,1-Dimethylbiguanide HCl

>  <Target> (32)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (32)
Hydrochloride

>  <CAS> (32)
1115-70-4

>  <URL> (32)
http://selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Indirubin.cdx
csChFnd80/12102409582D

 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
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  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (33)
519

>  <Formula> (33)
C16H10N2O2

>  <MolWeight> (33)
262.2628

>  <Cat> (33)
S2386

>  <Name> (33)
Indirubin?(NSC 105327)

>  <Synonyms> (33)
NSC 105327

>  <Target> (33)
GSK-3

>  <Form> (33)
free base

>  <CAS> (33)
479-41-4

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

$$$$
CHIR-98014.cdx
csChFnd80/12102409582D

 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
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    0.0000    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (39)
581

>  <Formula> (39)
C16H20N6O

>  <MolWeight> (39)
312.3696

>  <Cat> (39)
S2789

>  <Name> (39)
Tofacitinib (CP-690550)

>  <Synonyms> (39)
Tasocitinib

>  <Target> (39)
Apoptosis related,JAK

>  <Form> (39)
free base

>  <CAS> (39)
477600-75-2

>  <URL> (39)
http://selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (40)
584

>  <Formula> (40)
C17H14BrN3O

>  <MolWeight> (40)
356.21656

>  <Cat> (40)
S2796

>  <Name> (40)
WP1066

>  <Synonyms> (40)
N/A

>  <Target> (40)
Apoptosis related,JAK,STAT

>  <Form> (40)
free base

>  <CAS> (40)
857064-38-1

>  <URL> (40)
http://selleckchem.com/products/wp1066.html

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (41)
600

>  <Formula> (41)
C41H42N4O8

>  <MolWeight> (41)
718.79418

>  <Cat> (41)
S1786

>  <Name> (41)
Verteporfin (CL 318952)

>  <Synonyms> (41)
CL 318952, Visudyne

>  <Target> (41)
Apoptosis related,Autophagy,TEAD,VDA,YAP

>  <Form> (41)
free base

>  <CAS> (41)
129497-78-5

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

$$$$
CEP33779.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (42)
610

>  <Formula> (42)
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>  <MolWeight> (42)
462.56724

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CEP-33779

>  <Synonyms> (42)
N/A

>  <Target> (42)
JAK

>  <Form> (42)
free base

>  <CAS> (42)
1257704-57-6

>  <URL> (42)
http://selleckchem.com/products/cep33779.html

$$$$
Dexamethasone acetate.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (43)
634

>  <Formula> (43)
C24H31FO6

>  <MolWeight> (43)
434.4977432

>  <Cat> (43)
S3124

>  <Name> (43)
Dexamethasone Acetate

>  <Synonyms> (43)
NSC 39471,Dexamethasone 21-acetate

>  <Target> (43)
Complement System,COVID-19,IL Receptor

>  <Form> (43)
free base

>  <CAS> (43)
1177-87-3

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

$$$$
LDE225.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (44)
642

>  <Formula> (44)
C26H26F3N3O3

>  <MolWeight> (44)
485.4981496

>  <Cat> (44)
S2151

>  <Name> (44)
Sonidegib (NVP-LDE225)

>  <Synonyms> (44)
Erismodegib

>  <Target> (44)
Hedgehog/Smoothened

>  <Form> (44)
free base

>  <CAS> (44)
956697-53-3

>  <URL> (44)
http://selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
LY2784544.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (45)
651

>  <Formula> (45)
C23H25ClFN7O

>  <MolWeight> (45)
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>  <Cat> (45)
S2179

>  <Name> (45)
Gandotinib (LY2784544)

>  <Synonyms> (45)
N/A

>  <Target> (45)
JAK

>  <Form> (45)
free base

>  <CAS> (45)
1229236-86-5

>  <URL> (45)
http://selleckchem.com/products/LY2784544.html

$$$$
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>  <Mol_ID> (46)
671

>  <Formula> (46)
C18H16F2N6

>  <MolWeight> (46)
354.3566464

>  <Cat> (46)
S2214

>  <Name> (46)
AZ 960

>  <Synonyms> (46)
N/A

>  <Target> (46)
Apoptosis related,JAK

>  <Form> (46)
free base

>  <CAS> (46)
905586-69-8

>  <URL> (46)
http://selleckchem.com/products/AZ-960.html

$$$$
DAPT.cdx
csChFnd80/12102409582D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
672

>  <Formula> (47)
C23H26F2N2O4

>  <MolWeight> (47)
432.4603464

>  <Cat> (47)
S2215

>  <Name> (47)
DAPT (GSI-IX)

>  <Synonyms> (47)
LY-374973

>  <Target> (47)
Apoptosis related,Autophagy,Beta Amyloid,Secretase

>  <Form> (47)
free base

>  <CAS> (47)
208255-80-5

>  <URL> (47)
http://selleckchem.com/products/DAPT-GSI-IX.html

$$$$
CYT 387.cdx
csChFnd80/12102409582D

 31 34  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (48)
676

>  <Formula> (48)
C23H22N6O2

>  <MolWeight> (48)
414.45978

>  <Cat> (48)
S2219

>  <Name> (48)
Momelotinib (CYT387)

>  <Synonyms> (48)
LM-1149 , CYT11387

>  <Target> (48)
Apoptosis related,Autophagy,JAK

>  <Form> (48)
free base

>  <CAS> (48)
1056634-68-4

>  <URL> (48)
http://selleckchem.com/products/Cyt387.html

$$$$
Cryptotanshinone.cdx
csChFnd80/12102409582D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 10  5  2  0  0  0  0
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 17 12  1  0  0  0  0
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 17 22  1  1  0  0  0
M  END
>  <Mol_ID> (49)
701

>  <Formula> (49)
C19H20O3

>  <MolWeight> (49)
296.3603

>  <Cat> (49)
S2285

>  <Name> (49)
Cryptotanshinone

>  <Synonyms> (49)
Tanshinone C

>  <Target> (49)
Apoptosis related,Autophagy,STAT

>  <Form> (49)
free base

>  <CAS> (49)
35825-57-1

>  <URL> (49)
http://selleckchem.com/products/Cryptotanshinone.html

$$$$
Hesperetin.cdx
csChFnd80/12102409582D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
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M  END
>  <Mol_ID> (50)
718

>  <Formula> (50)
C16H14O6

>  <MolWeight> (50)
302.27876

>  <Cat> (50)
S2308

>  <Name> (50)
Hesperetin

>  <Synonyms> (50)
N/A

>  <Target> (50)
Histamine Receptor,TGF-beta/Smad

>  <Form> (50)
free base

>  <CAS> (50)
520-33-2

>  <URL> (50)
http://selleckchem.com/products/Hesperetin.html

$$$$
Parthenolide.cdx
csChFnd80/12102409582D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
744

>  <Formula> (51)
C15H20O3

>  <MolWeight> (51)
248.3175

>  <Cat> (51)
S2341

>  <Name> (51)
(-)-Parthenolide

>  <Synonyms> (51)
N/A

>  <Target> (51)
HDAC,MDM2/MDMX,NF-¦ÊB,p53

>  <Form> (51)
free base

>  <CAS> (51)
20554-84-1

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

$$$$
Curcumol.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (52)
759

>  <Formula> (52)
C15H24O2

>  <MolWeight> (52)
236.34986

>  <Cat> (52)
S2407

>  <Name> (52)
Curcumol

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK

>  <Form> (52)
free base

>  <CAS> (52)
4871-97-0

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

$$$$
LY 411575.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (53)
779

>  <Formula> (53)
C26H23F2N3O4

>  <MolWeight> (53)
479.4753264

>  <Cat> (53)
S2714

>  <Name> (53)
LY411575

>  <Synonyms> (53)
N/A

>  <Target> (53)
Apoptosis related,Notch,Secretase

>  <Form> (53)
free base

>  <CAS> (53)
209984-57-6

>  <URL> (53)
http://selleckchem.com/products/ly-411575.html

$$$$
TG1012009.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (54)
782

>  <Formula> (54)
C26H35N7O2S

>  <MolWeight> (54)
509.6668

>  <Cat> (54)
S2692

>  <Name> (54)
TG101209

>  <Synonyms> (54)
N/A

>  <Target> (54)
c-RET,FLT3,JAK

>  <Form> (54)
free base

>  <CAS> (54)
936091-14-4

>  <URL> (54)
http://selleckchem.com/products/tg101209.html

$$$$
CP-690550 citrate.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (55)
825

>  <Formula> (55)
C22H28N6O8

>  <MolWeight> (55)
504.49312

>  <Cat> (55)
S5001

>  <Name> (55)
Tofacitinib (CP-690550) Citrate

>  <Synonyms> (55)
Tasocitinib Citrate,CP-690550

>  <Target> (55)
Anti-infection,JAK

>  <Form> (55)
Citrate

>  <CAS> (55)
540737-29-9

>  <URL> (55)
http://selleckchem.com/products/CP-690550.html

$$$$
LY2157299.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (56)
853

>  <Formula> (56)
C22H19N5O

>  <MolWeight> (56)
369.41916

>  <Cat> (56)
S2230

>  <Name> (56)
Galunisertib (LY2157299)

>  <Synonyms> (56)
N/A

>  <Target> (56)
TGF-beta/Smad

>  <Form> (56)
free base

>  <CAS> (56)
700874-72-2

>  <URL> (56)
http://selleckchem.com/products/ly2157299.html

$$$$
TWS119.cdx
csChFnd80/12102409582D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (57)
884

>  <Formula> (57)
C18H14N4O2

>  <MolWeight> (57)
318.32936

>  <Cat> (57)
S1590

>  <Name> (57)
TWS119

>  <Synonyms> (57)
N/A

>  <Target> (57)
Autophagy,GSK-3

>  <Form> (57)
free base

>  <CAS> (57)
601514-19-6

>  <URL> (57)
http://selleckchem.com/products/TWS119.html

$$$$
ICG001.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (58)
896

>  <Formula> (58)
C33H32N4O4

>  <MolWeight> (58)
548.63158

>  <Cat> (58)
S2662

>  <Name> (58)
Foscenvivint (ICG-001)

>  <Synonyms> (58)
N/A

>  <Target> (58)
Apoptosis related,Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (58)
free base

>  <CAS> (58)
780757-88-2 (relative stereochemistry); 847591-62-2 (absolute stereochemistry)

>  <URL> (58)
http://selleckchem.com/products/icg-001.html

$$$$
A769662.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (59)
904

>  <Formula> (59)
C20H12N2O3S

>  <MolWeight> (59)
360.38588

>  <Cat> (59)
S2697

>  <Name> (59)
A-769662

>  <Synonyms> (59)
N/A

>  <Target> (59)
AMPK,Fatty Acid Synthase

>  <Form> (59)
free base

>  <CAS> (59)
844499-71-4

>  <URL> (59)
http://selleckchem.com/products/a-769662.html

$$$$
YO 01027.cdx
csChFnd80/12102409582D

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909

>  <Formula> (60)
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>  <MolWeight> (60)
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>  <Cat> (60)
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>  <Name> (60)
Dibenzazepine (YO-01027)

>  <Synonyms> (60)
DBZ

>  <Target> (60)
Notch,Secretase

>  <Form> (60)
free base

>  <CAS> (60)
209984-56-5

>  <URL> (60)
http://selleckchem.com/products/yo-01027.html

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TG101348.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (61)
913

>  <Formula> (61)
C27H36N6O3S

>  <MolWeight> (61)
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>  <Cat> (61)
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>  <Name> (61)
Fedratinib (TG101348)

>  <Synonyms> (61)
SAR302503

>  <Target> (61)
Apoptosis related,c-RET,FLT3,JAK

>  <Form> (61)
free base

>  <CAS> (61)
936091-26-8

>  <URL> (61)
http://selleckchem.com/products/Fedratinib-SAR302503-TG101348.html

$$$$
SB415286.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (62)
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>  <Name> (62)
SB415286

>  <Synonyms> (62)
N/A

>  <Target> (62)
Apoptosis related,GSK-3

>  <Form> (62)
free base

>  <CAS> (62)
264218-23-7

>  <URL> (62)
http://selleckchem.com/products/sb-415286.html

$$$$
TPCA-1.cdx
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>  <Mol_ID> (63)
1019

>  <Formula> (63)
C12H10FN3O2S

>  <MolWeight> (63)
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>  <Cat> (63)
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>  <Synonyms> (63)
GW683965

>  <Target> (63)
Apoptosis related,I¦ÊB/IKK,NF-¦ÊB,STAT

>  <Form> (63)
free base

>  <CAS> (63)
507475-17-4

>  <URL> (63)
http://selleckchem.com/products/tpca-1.html

$$$$
Tideglusib.cdx
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>  <Mol_ID> (64)
1047

>  <Formula> (64)
C19H14N2O2S

>  <MolWeight> (64)
334.39166

>  <Cat> (64)
S2823

>  <Name> (64)
Tideglusib (NP031112)

>  <Synonyms> (64)
NP-12

>  <Target> (64)
COVID-19,GSK-3

>  <Form> (64)
free base

>  <CAS> (64)
865854-05-3

>  <URL> (64)
http://selleckchem.com/products/tideglusib.html

$$$$
WHI-P154.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (65)
1069

>  <Formula> (65)
C16H14BrN3O3

>  <MolWeight> (65)
376.20466

>  <Cat> (65)
S2867

>  <Name> (65)
WHI-P154

>  <Synonyms> (65)
N/A

>  <Target> (65)
EGFR,JAK

>  <Form> (65)
free base

>  <CAS> (65)
211555-04-3

>  <URL> (65)
http://selleckchem.com/products/whi-p154.html

$$$$
Forskolin.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (66)
1073

>  <Formula> (66)
C22H34O7

>  <MolWeight> (66)
410.50116

>  <Cat> (66)
S2449

>  <Name> (66)
Colforsin

>  <Synonyms> (66)
Forskolin, HL 362, Coleonol

>  <Target> (66)
Autophagy,cAMP,FXR

>  <Form> (66)
free base

>  <CAS> (66)
66575-29-9

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

$$$$
Pirfenidone.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (67)
1104

>  <Formula> (67)
C12H11NO

>  <MolWeight> (67)
185.22184

>  <Cat> (67)
S2907

>  <Name> (67)
Pirfenidone (S-7701)

>  <Synonyms> (67)
AMR-69

>  <Target> (67)
CCR,TGF-beta/Smad

>  <Form> (67)
free base

>  <CAS> (67)
53179-13-8

>  <URL> (67)
http://selleckchem.com/products/pirfenidone.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (68)
1115

>  <Formula> (68)
C17H18N6

>  <MolWeight> (68)
306.36502

>  <Cat> (68)
S2902

>  <Name> (68)
S-Ruxolitinib (INCB018424)

>  <Synonyms> (68)
N/A

>  <Target> (68)
JAK

>  <Form> (68)
free base

>  <CAS> (68)
941685-37-6

>  <URL> (68)
http://selleckchem.com/products/s-ruxolitinib.html

$$$$
TDZD-8.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (69)
1145

>  <Formula> (69)
C10H10N2O2S

>  <MolWeight> (69)
222.2636

>  <Cat> (69)
S2926

>  <Name> (69)
TDZD-8

>  <Synonyms> (69)
NP 01139

>  <Target> (69)
COVID-19,GSK-3

>  <Form> (69)
free base

>  <CAS> (69)
327036-89-5

>  <URL> (69)
http://selleckchem.com/products/tdzd-8.html

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/12102409582D

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>  <Mol_ID> (70)
1218

>  <Formula> (70)
C18H14N4O5S

>  <MolWeight> (70)
398.39256

>  <Cat> (70)
S1576

>  <Name> (70)
Sulfasalazine (NSC 667219)

>  <Synonyms> (70)
Azulfidine, Salazopyrin, Sulphasalazine, NSC 667219

>  <Target> (70)
Apoptosis related,Autophagy,COX,Ferroptosis,Immunology & Inflammation related,NF-¦ÊB,TGF-beta/Smad

>  <Form> (70)
free base

>  <CAS> (70)
599-79-1

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

$$$$
Pifithrin-¦Á.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (71)
1223

>  <Formula> (71)
C16H19BrN2OS

>  <MolWeight> (71)
367.30386

>  <Cat> (71)
S2929

>  <Name> (71)
Pifithrin-¦Á (PFT¦Á) HBr

>  <Synonyms> (71)
Pifithrin-¦Á hydrobromide

>  <Target> (71)
AhR,Autophagy,p53

>  <Form> (71)
HBr

>  <CAS> (71)
63208-82-2

>  <URL> (71)
http://selleckchem.com/products/pifithrin-alpha.html

$$$$
aicar.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (72)
1233

>  <Formula> (72)
C9H14N4O5

>  <MolWeight> (72)
258.23126

>  <Cat> (72)
S1802

>  <Name> (72)
AICAR (Acadesine)

>  <Synonyms> (72)
NSC105823, AICA Riboside

>  <Target> (72)
AMPK,Mitophagy

>  <Form> (72)
free base

>  <CAS> (72)
2627-69-2

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

$$$$
nifuroxazide.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (73)
1342

>  <Formula> (73)
C12H9N3O5

>  <MolWeight> (73)
275.21696

>  <Cat> (73)
S4182

>  <Name> (73)
Nifuroxazide

>  <Synonyms> (73)
N/A

>  <Target> (73)
STAT

>  <Form> (73)
free base

>  <CAS> (73)
965-52-6

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (74)
1436

>  <Formula> (74)
C8H7NO2S

>  <MolWeight> (74)
181.21168

>  <Cat> (74)
S2930

>  <Name> (74)
Pifithrin-¦Ì

>  <Synonyms> (74)
NSC 303580, PFT¦Ì, 2-Phenylethynesulfonamide

>  <Target> (74)
Autophagy,HSP (HSP90),p53

>  <Form> (74)
free base

>  <CAS> (74)
64984-31-2

>  <URL> (74)
http://selleckchem.com/products/pifithrin-u.html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/12102409582D

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    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8528    1.3085    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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 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> (75)
1470

>  <Formula> (75)
C25H35ClN4O2S

>  <MolWeight> (75)
491.089

>  <Cat> (75)
S4900

>  <Name> (75)
Tenovin-6

>  <Synonyms> (75)
N/A

>  <Target> (75)
Dehydrogenase,p53,Sirtuin

>  <Form> (75)
free base

>  <CAS> (75)
1011557-82-6

>  <URL> (75)
http://selleckchem.com/products/tenovin-6.html

$$$$
R-Ruxolitinib.cdx
csChFnd80/12102409582D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 13  1  0  0  0  0
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 21 16  1  0  0  0  0
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 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (76)
1504

>  <Formula> (76)
C17H18N6

>  <MolWeight> (76)
306.36502

>  <Cat> (76)
S1378

>  <Name> (76)
Ruxolitinib (INCB018424)

>  <Synonyms> (76)
INCB018424

>  <Target> (76)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (76)
free base

>  <CAS> (76)
941678-49-5

>  <URL> (76)
http://selleckchem.com/products/INCB18424.html

$$$$
S1263.cdx
csChFnd80/12102409582D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4234    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6359    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6941    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8268    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1559    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 24 18  1  0  0  0  0
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 22 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 19  2  0  0  0  0
 29 31  1  0  0  0  0
  7 32  3  0  0  0  0
M  END
>  <Mol_ID> (77)
1529

>  <Formula> (77)
C22H18Cl2N8

>  <MolWeight> (77)
465.33792

>  <Cat> (77)
S1263

>  <Name> (77)
Laduviglusib (CHIR-99021)

>  <Synonyms> (77)
CT99021

>  <Target> (77)
Autophagy,GSK-3,Wnt/beta-catenin

>  <Form> (77)
free base

>  <CAS> (77)
252917-06-9

>  <URL> (77)
http://selleckchem.com/products/CHIR-99021.html

$$$$
S4747 Jervine.cdx
csChFnd80/12102409582D

 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
    7.4492    5.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1465    5.5350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4670    4.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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   11.7131    7.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 14  1  0  0  0  0
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  9 15  1  0  0  0  0
  9 33  1  1  0  0  0
 11 12  1  0  0  0  0
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 15 20  1  0  0  0  0
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 17 22  1  0  0  0  0
 17 36  1  6  0  0  0
 19 23  1  1  0  0  0
 19 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
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 22 27  1  1  0  0  0
 24 25  2  0  0  0  0
 25 28  1  0  0  0  0
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 28 30  1  0  0  0  0
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 30 31  1  1  0  0  0
M  END
>  <Mol_ID> (78)
1686

>  <Formula> (78)
C27H39NO3

>  <MolWeight> (78)
425.60346

>  <Cat> (78)
S4747

>  <Name> (78)
Jervine

>  <Synonyms> (78)
11-Ketocyclopamine

>  <Target> (78)
Hedgehog/Smoothened

>  <Form> (78)
free base

>  <CAS> (78)
469-59-0

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

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/12102409582D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    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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  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (79)
1729

>  <Formula> (79)
C9H10O4

>  <MolWeight> (79)
182.1733

>  <Cat> (79)
S3630

>  <Name> (79)
Methyl Vanillate

>  <Synonyms> (79)
N/A

>  <Target> (79)
Wnt/beta-catenin

>  <Form> (79)
free base

>  <CAS> (79)
3943-74-6

>  <URL> (79)
http://selleckchem.com/products/methyl-vanillate.html

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/12102409582D

 30 27  0  0  0  0  0  0  0  0999 V2000
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    1.2115    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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   10.9246    7.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9246    8.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 13 15  1  0  0  0  0
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 20 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (80)
1793

>  <Formula> (80)
C17H17N3Na2O8

>  <MolWeight> (80)
437.31172

>  <Cat> (80)
S3745

>  <Name> (80)
Balsalazide disodium

>  <Synonyms> (80)
N/A

>  <Target> (80)
Immunology & Inflammation related,Interleukins,STAT

>  <Form> (80)
disodium salt dihydrate

>  <CAS> (80)
150399-21-6

>  <URL> (80)
http://selleckchem.com/products/balsalazide-disodium.html

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/12102409582D

 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
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   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
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 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> (81)
1859

>  <Formula> (81)
C21H20O12

>  <MolWeight> (81)
464.3763

>  <Cat> (81)
S3842

>  <Name> (81)
Isoquercitrin

>  <Synonyms> (81)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (81)
Wnt/beta-catenin

>  <Form> (81)
free base

>  <CAS> (81)
482-35-9

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

$$$$
LY2109761.cdx
csChFnd80/12102409582D

 33 38  0  0  0  0  0  0  0  0999 V2000
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    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
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   10.2272    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4979    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2979    5.0180    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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  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 17 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> (82)
1949

>  <Formula> (82)
C26H27N5O2

>  <MolWeight> (82)
441.52488

>  <Cat> (82)
S2704

>  <Name> (82)
LY2109761

>  <Synonyms> (82)
N/A

>  <Target> (82)
Apoptosis related,Autophagy,TGF-beta/Smad

>  <Form> (82)
Free Base

>  <CAS> (82)
700874-71-1

>  <URL> (82)
http://selleckchem.com/products/ly2109761.html

$$$$
INCB28060.cdx
csChFnd80/12102409582D

 31 35  0  0  0  0  0  0  0  0999 V2000
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    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
   16.6633    3.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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    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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 20 29  1  0  0  0  0
 24 29  1  0  0  0  0
 19 26  1  0  0  0  0
 18 19  1  0  0  0  0
  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> (83)
1950

>  <Formula> (83)
C23H17FN6O

>  <MolWeight> (83)
412.4190832

>  <Cat> (83)
S2788

>  <Name> (83)
Capmatinib (INCB28060)

>  <Synonyms> (83)
INC280, NVP-INC280

>  <Target> (83)
Apoptosis related,c-Met,Wnt/beta-catenin

>  <Form> (83)
Free Base

>  <CAS> (83)
1029712-80-8

>  <URL> (83)
http://selleckchem.com/products/incb28060.html

$$$$
Plerixafor 8HCl.cdx
csChFnd80/12102409582D

 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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  7  9  1  0  0  0  0
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M  END
>  <Mol_ID> (84)
1951

>  <Formula> (84)
C28H62Cl8N8

>  <MolWeight> (84)
794.46948

>  <Cat> (84)
S3013

>  <Name> (84)
Plerixafor (AMD3100) 8HCl

>  <Synonyms> (84)
JM 3100 8HCl,Plerixafor Octahydrochloride,AMD3100 octahydrochloride,SID791 octahydrochloride

>  <Target> (84)
CXCR,HIV

>  <Form> (84)
Octahydrochloride

>  <CAS> (84)
155148-31-5

>  <URL> (84)
http://selleckchem.com/products/plerixafor-8hcl-db06809.html

$$$$
LY364947.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (85)
1953

>  <Formula> (85)
C17H12N4

>  <MolWeight> (85)
272.30398

>  <Cat> (85)
S2805

>  <Name> (85)
LY364947

>  <Synonyms> (85)
HTS 466284

>  <Target> (85)
Casein Kinase,Mixed Lineage Kinase,RIP kinase,TGF-beta/Smad

>  <Form> (85)
Free Base

>  <CAS> (85)
396129-53-6

>  <URL> (85)
http://selleckchem.com/products/ly364947.html

$$$$
KY02111.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (86)
1962

>  <Formula> (86)
C18H17ClN2O3S

>  <MolWeight> (86)
376.85718

>  <Cat> (86)
S7096

>  <Name> (86)
KY02111

>  <Synonyms> (86)
N/A

>  <Target> (86)
Wnt/beta-catenin

>  <Form> (86)
free base

>  <CAS> (86)
1118807-13-8

>  <URL> (86)
http://selleckchem.com/products/ky02111.html

$$$$
SANT-1.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (87)
1984

>  <Formula> (87)
C23H27N5

>  <MolWeight> (87)
373.49398

>  <Cat> (87)
S7092

>  <Name> (87)
SANT-1

>  <Synonyms> (87)
N/A

>  <Target> (87)
Hedgehog/Smoothened

>  <Form> (87)
free base

>  <CAS> (87)
304909-07-7

>  <URL> (87)
http://selleckchem.com/products/sant-1.html

$$$$
RKI-1447.cdx
csChFnd80/12102409582D

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   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> (88)
1994

>  <Formula> (88)
C16H14N4O2S

>  <MolWeight> (88)
326.37296

>  <Cat> (88)
S7195

>  <Name> (88)
RKI-1447

>  <Synonyms> (88)
N/A

>  <Target> (88)
ROCK

>  <Form> (88)
free base

>  <CAS> (88)
1342278-01-6

>  <URL> (88)
http://selleckchem.com/products/rki-1447.html

$$$$
Sodium valproate.cdx
csChFnd80/12102409582D

 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> (89)
2205

>  <Formula> (89)
C8H15NaO2

>  <MolWeight> (89)
166.19327

>  <Cat> (89)
S1168

>  <Name> (89)
Valproic Acid (NSC 93819) sodium salt

>  <Synonyms> (89)
Sodium valproate,NSC 93819,2-Propylpentanoic Acid

>  <Target> (89)
Autophagy,GABA Receptor,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (89)
Sodium salt

>  <CAS> (89)
1069-66-5

>  <URL> (89)
http://selleckchem.com/products/Sodium-valproate.html

$$$$
S3810 Scutellarin.cdx
csChFnd80/12102409582D

 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
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  1  2  2  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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> (90)
2226

>  <Formula> (90)
C21H18O12

>  <MolWeight> (90)
462.36042

>  <Cat> (90)
S3810

>  <Name> (90)
Scutellarin

>  <Synonyms> (90)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (90)
Akt,NF-¦ÊB,STAT

>  <Form> (90)
free base

>  <CAS> (90)
27740-01-8

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

$$$$
Tenovin-1.cdx
csChFnd80/12102409582D

 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
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 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (91)
2261

>  <Formula> (91)
C20H23N3O2S

>  <MolWeight> (91)
369.48052

>  <Cat> (91)
S8000

>  <Name> (91)
Tenovin-1

>  <Synonyms> (91)
N/A

>  <Target> (91)
Dehydrogenase,p53,Sirtuin

>  <Form> (91)
free base

>  <CAS> (91)
380315-80-0

>  <URL> (91)
http://selleckchem.com/products/tenovin-1.html

$$$$
Plerixafor.cdx
csChFnd80/12102409582D

 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
    9.7870    6.1310    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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 30  1  1  0  0  0  0
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 35  3  1  0  0  0  0
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 34  7  1  0  0  0  0
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 33  8  1  0  0  0  0
 11  9  1  0  0  0  0
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 31 29  1  0  0  0  0
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 33 34  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (92)
2273

>  <Formula> (92)
C28H54N8

>  <MolWeight> (92)
502.78196

>  <Cat> (92)
S8030

>  <Name> (92)
Plerixafor (AMD3100)

>  <Synonyms> (92)
JM 3100, SID791

>  <Target> (92)
CXCR,HIV

>  <Form> (92)
Free Base

>  <CAS> (92)
110078-46-1

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

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/12102409582D

 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
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    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
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 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 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> (93)
2285

>  <Formula> (93)
C26H21N3O3

>  <MolWeight> (93)
423.46324

>  <Cat> (93)
S7086

>  <Name> (93)
IWR-1-endo

>  <Synonyms> (93)
endo-IWR 1, IWR-1

>  <Target> (93)
Wnt/beta-catenin

>  <Form> (93)
free base

>  <CAS> (93)
1127442-82-3

>  <URL> (93)
http://selleckchem.com/products/iwr-1-endo.html

$$$$
STATTIC.cdx
csChFnd80/12102409582D

 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> (94)
2291

>  <Formula> (94)
C8H5NO4S

>  <MolWeight> (94)
211.1946

>  <Cat> (94)
S7024

>  <Name> (94)
Stattic

>  <Synonyms> (94)
N/A

>  <Target> (94)
Apoptosis related,STAT

>  <Form> (94)
free base

>  <CAS> (94)
19983-44-9

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

$$$$
Zebularine.cdx
csChFnd80/12102409582D

 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> (95)
2303

>  <Formula> (95)
C9H12N2O5

>  <MolWeight> (95)
228.20198

>  <Cat> (95)
S7113

>  <Name> (95)
Zebularine (NSC 309132)

>  <Synonyms> (95)
4-Deoxyuridine

>  <Target> (95)
DNA Methyltransferase

>  <Form> (95)
free base

>  <CAS> (95)
3690-10-6

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

$$$$
Sodium butyrate.cdx
csChFnd80/12102409582D

  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> (96)
2359

>  <Formula> (96)
C4H7NaO2

>  <MolWeight> (96)
110.08695

>  <Cat> (96)
S1999

>  <Name> (96)
Sodium butyrate

>  <Synonyms> (96)
NaB, Butanoic acid sodium salt

>  <Target> (96)
Apoptosis related,Autophagy,HDAC

>  <Form> (96)
Sodium Salt

>  <CAS> (96)
156-54-7

>  <URL> (96)
http://selleckchem.com/products/Sodium-butyrate.html

$$$$
Itraconazole.cdx
csChFnd80/12102409582D

 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
 11 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 21 25  2  0  0  0  0
 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> (97)
2371

>  <Formula> (97)
C35H38Cl2N8O4

>  <MolWeight> (97)
705.63342

>  <Cat> (97)
S2476

>  <Name> (97)
Itraconazole?(R 51211)

>  <Synonyms> (97)
R 51211

>  <Target> (97)
Autophagy,Fungal,Hedgehog/Smoothened,P450 (e.g. CYP17)

>  <Form> (97)
free base

>  <CAS> (97)
84625-61-6

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

$$$$
3.cdx
csChFnd80/12102409582D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.5495    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495    3.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6495    3.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3495    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6495    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (98)
2385

>  <Formula> (98)
C26H24F4N6O

>  <MolWeight> (98)
512.5019728

>  <Cat> (98)
S2157

>  <Name> (98)
Taladegib (LY2940680)

>  <Synonyms> (98)
N/A

>  <Target> (98)
Hedgehog/Smoothened

>  <Form> (98)
free base

>  <CAS> (98)
1258861-20-9

>  <URL> (98)
http://selleckchem.com/products/ly2940680.html

$$$$
Wnt-C59 (C59).cdx
csChFnd80/12102409582D

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>  <Mol_ID> (99)
2409

>  <Formula> (99)
C25H21N3O

>  <MolWeight> (99)
379.45374

>  <Cat> (99)
S7037

>  <Name> (99)
Wnt-C59 (C59)

>  <Synonyms> (99)
N/A

>  <Target> (99)
PORCN

>  <Form> (99)
free base

>  <CAS> (99)
1243243-89-1

>  <URL> (99)
http://selleckchem.com/products/wnt-c59-c59.html

$$$$
Dexamethasone sodium phosphate.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (100)
2433

>  <Formula> (100)
C22H28FNa2O8P

>  <MolWeight> (100)
516.4046242

>  <Cat> (100)
S4028

>  <Name> (100)
Dexamethasone Sodium Phosphate

>  <Synonyms> (100)
Dexamethasone?21-phosphate disodium salt

>  <Target> (100)
Autophagy,Complement System,COVID-19,COX,IL Receptor

>  <Form> (100)
Disodium salt

>  <CAS> (100)
55203-24-2

>  <URL> (100)
http://selleckchem.com/products/dexamethasone-sodium-phosphate.html

$$$$
Smoothened agonist (SAG) HCl.cdx
csChFnd80/12102409582D

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M  CFW  36 BOND_GSTEREO 5
M  END
>  <Mol_ID> (101)
2450

>  <Formula> (101)
C28H29Cl2N3OS

>  <MolWeight> (101)
526.52036

>  <Cat> (101)
S7779

>  <Name> (101)
Smoothened Agonist (SAG) HCl

>  <Synonyms> (101)
N/A

>  <Target> (101)
Hedgehog/Smoothened

>  <Form> (101)
Hydrochloride

>  <CAS> (101)
2095432-58-7

>  <URL> (101)
http://selleckchem.com/products/smoothened-agonist-sag-hcl.html

$$$$
FLLL32.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (102)
2456

>  <Formula> (102)
C28H32O6

>  <MolWeight> (102)
464.55008

>  <Cat> (102)
S7259

>  <Name> (102)
FLLL32

>  <Synonyms> (102)
N/A

>  <Target> (102)
IFN,Interleukins,JAK

>  <Form> (102)
free base

>  <CAS> (102)
1226895-15-3

>  <URL> (102)
http://selleckchem.com/products/flll32.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12102409582D

 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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (103)
2463

>  <Formula> (103)
C11H10N2O2S

>  <MolWeight> (103)
234.2743

>  <Cat> (103)
S7914

>  <Name> (103)
Isoxazole 9 (ISX-9)

>  <Synonyms> (103)
N/A

>  <Target> (103)
TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (103)
free base

>  <CAS> (103)
832115-62-5

>  <URL> (103)
http://selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
P7C3.cdx
csChFnd80/12102409582D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (104)
2481

>  <Formula> (104)
C21H18Br2N2O

>  <MolWeight> (104)
474.18842

>  <Cat> (104)
S7968

>  <Name> (104)
P7C3

>  <Synonyms> (104)
N/A

>  <Target> (104)
NAMPT

>  <Form> (104)
free base

>  <CAS> (104)
301353-96-8

>  <URL> (104)
http://selleckchem.com/products/p7c3.html

$$$$
BIO-acetoxime (GSK-3 Inhibitor X).cdx
csChFnd80/12102409582D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (105)
2484

>  <Formula> (105)
C18H12BrN3O3

>  <MolWeight> (105)
398.21018

>  <Cat> (105)
S7915

>  <Name> (105)
BIO-acetoxime

>  <Synonyms> (105)
GSK-3 Inhibitor X

>  <Target> (105)
GSK-3

>  <Form> (105)
free base

>  <CAS> (105)
667463-85-6

>  <URL> (105)
http://selleckchem.com/products/bio-acetoxime.html

$$$$
CBL0137(CBL-0137).cdx
csChFnd80/12102409582D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
2493

>  <Formula> (106)
C21H25ClN2O2

>  <MolWeight> (106)
372.8884

>  <Cat> (106)
S8483

>  <Name> (106)
CBL0137 HCl

>  <Synonyms> (106)
CBLC137 HCl, Curaxin 137 HCl

>  <Target> (106)
NF-¦ÊB,p53

>  <Form> (106)
HCl

>  <CAS> (106)
1197397-89-9

>  <URL> (106)
http://selleckchem.com/products/cbl0137-cbl-0137.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (107)
2499

>  <Formula> (107)
C8H16O2

>  <MolWeight> (107)
144.21144

>  <Cat> (107)
S3944

>  <Name> (107)
Valproic acid (VPA)

>  <Synonyms> (107)
2-Propylvaleric Acid, Valproate

>  <Target> (107)
Autophagy,HDAC,Mitophagy,Notch,PGC-1¦Á

>  <Form> (107)
free base

>  <CAS> (107)
99-66-1

>  <URL> (107)
http://selleckchem.com/products/valproic-acid.html

$$$$
AZD1080.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (108)
2535

>  <Formula> (108)
C19H18N4O2

>  <MolWeight> (108)
334.37182

>  <Cat> (108)
S7145

>  <Name> (108)
AZD1080

>  <Synonyms> (108)
N/A

>  <Target> (108)
GSK-3

>  <Form> (108)
free base

>  <CAS> (108)
612487-72-6

>  <URL> (108)
http://selleckchem.com/products/azd1080.html

$$$$
NSC319726.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (109)
2537

>  <Formula> (109)
C11H14N4S

>  <MolWeight> (109)
234.32066

>  <Cat> (109)
S7149

>  <Name> (109)
NSC 319726

>  <Synonyms> (109)
N/A

>  <Target> (109)
p53

>  <Form> (109)
free base

>  <CAS> (109)
71555-25-4

>  <URL> (109)
http://selleckchem.com/products/nsc319726.html

$$$$
purmorphamine.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (110)
2544

>  <Formula> (110)
C31H32N6O2

>  <MolWeight> (110)
520.62478

>  <Cat> (110)
S3042

>  <Name> (110)
Purmorphamine

>  <Synonyms> (110)
Shh Signaling Antagonist VI

>  <Target> (110)
Autophagy,Hedgehog/Smoothened

>  <Form> (110)
Free Base

>  <CAS> (110)
483367-10-8

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

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12102409582D

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 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (111)
2552

>  <Formula> (111)
C16H10BrN3O2

>  <MolWeight> (111)
356.1735

>  <Cat> (111)
S7198

>  <Name> (111)
BIO

>  <Synonyms> (111)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime, 6-Bromoindirubin-3'-oxime, MLS 2052

>  <Target> (111)
Apoptosis related,CDK,GSK-3,JAK

>  <Form> (111)
free base

>  <CAS> (111)
667463-62-9

>  <URL> (111)
http://selleckchem.com/products/bio.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12102409582D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
2556

>  <Formula> (112)
C17H13N5

>  <MolWeight> (112)
287.31862

>  <Cat> (112)
S7223

>  <Name> (112)
RepSox (E-616452)

>  <Synonyms> (112)
SJN 2511,ALK5 Inhibitor II

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

>  <Form> (112)
free base

>  <CAS> (112)
446859-33-2

>  <URL> (112)
http://selleckchem.com/products/repsox.html

$$$$
AZD2858.cdx
csChFnd80/12102409582D

 32 35  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (113)
2559

>  <Formula> (113)
C21H23N7O3S

>  <MolWeight> (113)
453.51742

>  <Cat> (113)
S7253

>  <Name> (113)
AZD2858

>  <Synonyms> (113)
N/A

>  <Target> (113)
GSK-3

>  <Form> (113)
free base

>  <CAS> (113)
486424-20-8

>  <URL> (113)
http://selleckchem.com/products/azd2858.html

$$$$
ZM39923 HCl.cdx
csChFnd80/12102409582D

 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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  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (114)
2561

>  <Formula> (114)
C23H26ClNO

>  <MolWeight> (114)
367.91164

>  <Cat> (114)
S8004

>  <Name> (114)
ZM 39923 HCl

>  <Synonyms> (114)
N/A

>  <Target> (114)
JAK

>  <Form> (114)
HCl

>  <CAS> (114)
1021868-92-7

>  <URL> (114)
http://selleckchem.com/products/zm-39923-hcl.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12102409582D

 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
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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
   19.8307    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3981    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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M  END
>  <Mol_ID> (115)
2576

>  <Formula> (115)
C24H27Cl2N5O

>  <MolWeight> (115)
472.41008

>  <Cat> (115)
S7306

>  <Name> (115)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (115)
BML-275 2HCl,Compound C 2HCl

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

>  <Form> (115)
Dihydrochloride

>  <CAS> (115)
1219168-18-9

>  <URL> (115)
http://selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/12102409582D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7397    2.8936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7476    0.0188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0238    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Name> (116)
Thioridazine hydrochloride

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Aldazine, Mellaril

>  <Target> (116)
5-HT Receptor

>  <Form> (116)
hydrochloride

>  <CAS> (116)
130-61-0

>  <URL> (116)
http://selleckchem.com/products/thioridazine-hydrochloride.html

$$$$
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Hedgehog/Smoothened

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free base

>  <CAS> (117)
1059734-66-5

>  <URL> (117)
http://selleckchem.com/products/bms-833923.html

$$$$
XL019.cdx
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XL019

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N/A

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JAK

>  <Form> (118)
free base

>  <CAS> (118)
945755-56-6

>  <URL> (118)
http://selleckchem.com/products/xl019.html

$$$$
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>  <Name> (119)
Pacritinib (SB1518)

>  <Synonyms> (119)
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FLT3,JAK

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free base

>  <CAS> (119)
937272-79-2

>  <URL> (119)
http://selleckchem.com/products/pacritinib-sb1518.html

$$$$
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>  <Mol_ID> (120)
2663

>  <Formula> (120)
C23H20N6O

>  <MolWeight> (120)
396.4445

>  <Cat> (120)
S7143

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LGK-974

>  <Synonyms> (120)
NVP-LGK974, WNT974

>  <Target> (120)
PORCN

>  <Form> (120)
free base

>  <CAS> (120)
1243244-14-5

>  <URL> (120)
http://selleckchem.com/products/lgk-974.html

$$$$
LM-3096 IWP L6.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (121)
2669

>  <Formula> (121)
C25H20N4O2S2

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>  <Cat> (121)
S7301

>  <Name> (121)
IWP-L6

>  <Synonyms> (121)
Porcn Inhibitor III

>  <Target> (121)
PORCN

>  <Form> (121)
free base

>  <CAS> (121)
1427782-89-5

>  <URL> (121)
http://selleckchem.com/products/iwp-l6.html

$$$$
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>  <Mol_ID> (122)
2673

>  <Formula> (122)
C12H12N4O4S

>  <MolWeight> (122)
308.31308

>  <Cat> (122)
S7435

>  <Name> (122)
AR-A014418

>  <Synonyms> (122)
GSK-3¦Â Inhibitor VIII

>  <Target> (122)
GSK-3

>  <Form> (122)
free base

>  <CAS> (122)
487021-52-3

>  <URL> (122)
http://selleckchem.com/products/A014418.html

$$$$
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>  <Mol_ID> (123)
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>  <Formula> (123)
C20H20N2O4

>  <MolWeight> (123)
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>  <Cat> (123)
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K02288

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N/A

>  <Target> (123)
TGF-beta/Smad

>  <Form> (123)
free base

>  <CAS> (123)
1431985-92-0

>  <URL> (123)
http://selleckchem.com/products/k02288.html

$$$$
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free base

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2719-05-3

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2695

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LDN-193189 2HCl

>  <Synonyms> (126)
DM-3189 2HCl

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

>  <Form> (126)
Hydrochloride

>  <CAS> (126)
1435934-00-1

>  <URL> (126)
http://selleckchem.com/products/ldn-193189-2hcl.html

$$$$
1-Azakenpaullone.cdx
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1062368-49-3

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>  <Mol_ID> (129)
2713

>  <Formula> (129)
C24H20N4O

>  <MolWeight> (129)
380.4418

>  <Cat> (129)
S7146

>  <Name> (129)
DMH1

>  <Synonyms> (129)
N/A

>  <Target> (129)
Autophagy,TGF-beta/Smad

>  <Form> (129)
free base

>  <CAS> (129)
1206711-16-1

>  <URL> (129)
http://selleckchem.com/products/dmh1.html

$$$$
LDN-212854.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (130)
2714

>  <Formula> (130)
C25H22N6

>  <MolWeight> (130)
406.48238

>  <Cat> (130)
S7147

>  <Name> (130)
LDN-212854

>  <Synonyms> (130)
BMP Inhibitor III

>  <Target> (130)
TGF-beta/Smad

>  <Form> (130)
free base

>  <CAS> (130)
1432597-26-6

>  <URL> (130)
http://selleckchem.com/products/ldn-212854.html

$$$$
CGP 57380.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (131)
2716

>  <Formula> (131)
C11H9FN6

>  <MolWeight> (131)
244.2277632

>  <Cat> (131)
S7421

>  <Name> (131)
CGP 57380

>  <Synonyms> (131)
N/A

>  <Target> (131)
Apoptosis related,MNK,Wnt/beta-catenin

>  <Form> (131)
free base

>  <CAS> (131)
522629-08-9

>  <URL> (131)
http://selleckchem.com/products/cgp57380.html

$$$$
WIKI4.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (132)
2737

>  <Formula> (132)
C29H23N5O3S

>  <MolWeight> (132)
521.58962

>  <Cat> (132)
S7490

>  <Name> (132)
WIKI4

>  <Synonyms> (132)
N/A

>  <Target> (132)
PARP,Wnt/beta-catenin

>  <Form> (132)
free base

>  <CAS> (132)
838818-26-1

>  <URL> (132)
http://selleckchem.com/products/wiki4.html

$$$$
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csChFnd80/12102409582D

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FPH2 (BRD-9424)

>  <Synonyms> (133)
N/A

>  <Target> (133)
Others

>  <Form> (133)
free base

>  <CAS> (133)
957485-64-2

>  <URL> (133)
http://selleckchem.com/products/fph2-brd-9424.html

$$$$
IWP-2.cdx
csChFnd80/12102409582D

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2759

>  <Formula> (134)
C22H18N4O2S3

>  <MolWeight> (134)
466.59892

>  <Cat> (134)
S7085

>  <Name> (134)
IWP-2

>  <Synonyms> (134)
N/A

>  <Target> (134)
Casein Kinase,Wnt/beta-catenin

>  <Form> (134)
Free Base

>  <CAS> (134)
686770-61-6

>  <URL> (134)
http://selleckchem.com/products/iwp-2.html

$$$$
FH535.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (135)
2769

>  <Formula> (135)
C13H10Cl2N2O4S

>  <MolWeight> (135)
361.2005

>  <Cat> (135)
S7484

>  <Name> (135)
FH535

>  <Synonyms> (135)
N/A

>  <Target> (135)
PPAR,Wnt/beta-catenin

>  <Form> (135)
free base

>  <CAS> (135)
108409-83-2

>  <URL> (135)
http://selleckchem.com/products/fh535.html

$$$$
HO-3867.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (136)
2778

>  <Formula> (136)
C28H30F2N2O2

>  <MolWeight> (136)
464.5468064

>  <Cat> (136)
S7501

>  <Name> (136)
HO-3867

>  <Synonyms> (136)
N/A

>  <Target> (136)
Apoptosis related,STAT

>  <Form> (136)
free base

>  <CAS> (136)
1172133-28-6

>  <URL> (136)
http://selleckchem.com/products/ho-3867.html

$$$$
SH-4-54.cdx
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STAT

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free base

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1456632-40-8

>  <URL> (137)
http://selleckchem.com/products/sh-4-54.html

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PD406976

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FLT3,JAK,PKC

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free base

>  <CAS> (138)
136194-77-9

>  <URL> (138)
http://selleckchem.com/products/go6976.html

$$$$
IM-12.cdx
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2795

>  <Formula> (139)
C22H20FN3O2

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IM-12

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N/A

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GSK-3

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free base

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1129669-05-1

>  <URL> (139)
http://selleckchem.com/products/im-12.html

$$$$
filgotinib.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (140)
2813

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C21H23N5O3S

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>  <Name> (140)
Filgotinib (GLPG0634)

>  <Synonyms> (140)
N/A

>  <Target> (140)
JAK

>  <Form> (140)
free base

>  <CAS> (140)
1206161-97-8

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

$$$$
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M  END
>  <Mol_ID> (141)
2817

>  <Formula> (141)
C21H22N6O

>  <MolWeight> (141)
374.43898

>  <Cat> (141)
S7160

>  <Name> (141)
Glasdegib (PF-04449913)

>  <Synonyms> (141)
N/A

>  <Target> (141)
Hedgehog/Smoothened

>  <Form> (141)
Free Base

>  <CAS> (141)
1095173-27-5

>  <URL> (141)
http://selleckchem.com/products/glasdegib-pf-04449913.html

$$$$
EW-7197.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (142)
2837

>  <Formula> (142)
C22H18FN7

>  <MolWeight> (142)
399.4236232

>  <Cat> (142)
S7530

>  <Name> (142)
Vactosertib (TEW-7197)

>  <Synonyms> (142)
EW-7197

>  <Target> (142)
TGF-beta/Smad

>  <Form> (142)
free base

>  <CAS> (142)
1352608-82-2

>  <URL> (142)
http://selleckchem.com/products/ew-7197.html

$$$$
Kartogenin.cdx
csChFnd80/12102409582D

 24 26  0  0  0  0  0  0  0  0999 V2000
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2838

>  <Formula> (143)
C20H15NO3

>  <MolWeight> (143)
317.338

>  <Cat> (143)
S7658

>  <Name> (143)
Kartogenin

>  <Synonyms> (143)
KGN

>  <Target> (143)
TGF-beta/Smad

>  <Form> (143)
free base

>  <CAS> (143)
4727-31-5

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

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (144)
2850

>  <Formula> (144)
C20H28ClN7O3S

>  <MolWeight> (144)
481.99942

>  <Cat> (144)
S7634

>  <Name> (144)
Cerdulatinib (PRT062070) hydrochloride

>  <Synonyms> (144)
PRT2070 hydrochloride

>  <Target> (144)
JAK,Syk

>  <Form> (144)
hydrochloride

>  <CAS> (144)
1369761-01-2

>  <URL> (144)
http://selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
Reversine.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (145)
2873

>  <Formula> (145)
C21H27N7O

>  <MolWeight> (145)
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>  <Cat> (145)
S7588

>  <Name> (145)
Reversine

>  <Synonyms> (145)
N/A

>  <Target> (145)
Adenosine Receptor,Aurora Kinase

>  <Form> (145)
free base

>  <CAS> (145)
656820-32-5

>  <URL> (145)
http://selleckchem.com/products/reversine.html

$$$$
AT13148.cdx
csChFnd80/12102409582D

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1056901-62-2

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MDM2/MDMX,p53

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1303607-60-4

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C25H29N3O3

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LDN-214117

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TGF-beta/Smad

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free base

>  <CAS> (152)
1627503-67-6

>  <URL> (152)
http://selleckchem.com/products/ldn-214117.html

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Dorsomorphin.cdx
csChFnd80/12102409582D

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C24H25N5O

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Dorsomorphin (Compound C)

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BML-275,Compound C

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AMPK,Autophagy,TGF-beta/Smad

>  <Form> (153)
Free Base

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866405-64-3

>  <URL> (153)
http://selleckchem.com/products/dorsomorphin.html

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C14H8O4

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Napabucasin (BBI608)

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BBI608

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STAT

>  <Form> (154)
free base

>  <CAS> (154)
83280-65-3

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

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ASP015K.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (155)
2993

>  <Formula> (155)
C18H22N4O2

>  <MolWeight> (155)
326.39288

>  <Cat> (155)
S7650

>  <Name> (155)
Peficitinib (ASP015K)

>  <Synonyms> (155)
JNJ-54781532

>  <Target> (155)
JAK

>  <Form> (155)
free base

>  <CAS> (155)
944118-01-8

>  <URL> (155)
http://selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
SW033291-1.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (156)
3013

>  <Formula> (156)
C21H20N2OS3

>  <MolWeight> (156)
412.5913

>  <Cat> (156)
S7900

>  <Name> (156)
SW033291

>  <Synonyms> (156)
N/A

>  <Target> (156)
Dehydrogenase

>  <Form> (156)
free base

>  <CAS> (156)
459147-39-8

>  <URL> (156)
http://selleckchem.com/products/sw033291.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/12102409582D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (157)
3017

>  <Formula> (157)
C18H19F3N6O

>  <MolWeight> (157)
392.3782696

>  <Cat> (157)
S7541

>  <Name> (157)
Decernotinib (VX-509)

>  <Synonyms> (157)
N/A

>  <Target> (157)
JAK

>  <Form> (157)
free base

>  <CAS> (157)
944842-54-0

>  <URL> (157)
http://selleckchem.com/products/decernotinib-vx-509.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/12102409582D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (158)
3029

>  <Formula> (158)
C15H23ClFN3O4S

>  <MolWeight> (158)
395.8772232

>  <Cat> (158)
S7995

>  <Name> (158)
Ripasudil (K-115) hydrochloride dihydrate

>  <Synonyms> (158)
N/A

>  <Target> (158)
ROCK

>  <Form> (158)
Hydrochloride dihydrate

>  <CAS> (158)
887375-67-9

>  <URL> (158)
http://selleckchem.com/products/ripasudil-k-115.html

$$$$
NSC59984.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (159)
3035

>  <Formula> (159)
C12H15N3O4

>  <MolWeight> (159)
265.2652

>  <Cat> (159)
S8106

>  <Name> (159)
NSC59984

>  <Synonyms> (159)
N/A

>  <Target> (159)
p53

>  <Form> (159)
free base

>  <CAS> (159)
803647-40-7

>  <URL> (159)
http://selleckchem.com/products/nsc59984.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (160)
3040

>  <Formula> (160)
C26H24N6O2

>  <MolWeight> (160)
452.50776

>  <Cat> (160)
S7936

>  <Name> (160)
Belumosudil (KD025)

>  <Synonyms> (160)
SLx-2119

>  <Target> (160)
ROCK

>  <Form> (160)
free base

>  <CAS> (160)
911417-87-3

>  <URL> (160)
http://selleckchem.com/products/kd025-(slx-2119).html

$$$$
STA-21.cdx
csChFnd80/12102409582D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
3046

>  <Formula> (161)
C19H14O4

>  <MolWeight> (161)
306.31206

>  <Cat> (161)
S7951

>  <Name> (161)
Ochromycinone (STA-21)

>  <Synonyms> (161)
N/A

>  <Target> (161)
STAT

>  <Form> (161)
free base

>  <CAS> (161)
111540-00-2

>  <URL> (161)
http://selleckchem.com/products/sta-21.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (162)
3058

>  <Formula> (162)
C19H19ClN4O3

>  <MolWeight> (162)
386.83216

>  <Cat> (162)
S8178

>  <Name> (162)
Wnt agonist 1

>  <Synonyms> (162)
BML-284 HCL, BML-284 hydrochloride, AMBMP hydrochloride, AMBMP HCL

>  <Target> (162)
Wnt/beta-catenin

>  <Form> (162)
hydrochloride

>  <CAS> (162)
2095432-75-8

>  <URL> (162)
http://selleckchem.com/products/wnt-agonist-1.html

$$$$
NSC348884.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (163)
3067

>  <Formula> (163)
C38H40N10

>  <MolWeight> (163)
636.7912

>  <Cat> (163)
S8149

>  <Name> (163)
NSC348884

>  <Synonyms> (163)
N/A

>  <Target> (163)
Apoptosis related,p53

>  <Form> (163)
free base

>  <CAS> (163)
81624-55-7

>  <URL> (163)
http://selleckchem.com/products/nsc348884.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/12102409582D

 31 32  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
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
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M  END
>  <Mol_ID> (164)
3068

>  <Formula> (164)
C19H27N5O6S

>  <MolWeight> (164)
453.51258

>  <Cat> (164)
S8195

>  <Name> (164)
Oclacitinib?maleate

>  <Synonyms> (164)
PF-03394197

>  <Target> (164)
JAK

>  <Form> (164)
maleate

>  <CAS> (164)
1640292-55-2

>  <URL> (164)
http://selleckchem.com/products/oclacitinib-maleate.html

$$$$
Halofuginone.cdx
csChFnd80/12102409582D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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M  END
>  <Mol_ID> (165)
3077

>  <Formula> (165)
C16H17BrClN3O3

>  <MolWeight> (165)
414.68148

>  <Cat> (165)
S8144

>  <Name> (165)
Halofuginone

>  <Synonyms> (165)
RU-19110

>  <Target> (165)
DNA/RNA Synthesis,TGF-beta/Smad

>  <Form> (165)
free base

>  <CAS> (165)
55837-20-2

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

$$$$
AS1842856.cdx
csChFnd80/12102409582D

 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
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
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  6 14  1  0  0  0  0
 10 15  2  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 13  1  0  0  0  0
M  END
>  <Mol_ID> (166)
3078

>  <Formula> (166)
C18H22FN3O3

>  <MolWeight> (166)
347.3839832

>  <Cat> (166)
S8222

>  <Name> (166)
AS1842856

>  <Synonyms> (166)
N/A

>  <Target> (166)
Autophagy,FOX

>  <Form> (166)
free base

>  <CAS> (166)
836620-48-5

>  <URL> (166)
http://selleckchem.com/products/as1842856.html

$$$$
Pluripotin (SC1).cdx
csChFnd80/12102409582D

 40 44  0  0  0  0  0  0  0  0999 V2000
    4.6406    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8531    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0655    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1277    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (167)
3092

>  <Formula> (167)
C27H25F3N8O2

>  <MolWeight> (167)
550.5350096

>  <Cat> (167)
S7752

>  <Name> (167)
Pluripotin (SC1)

>  <Synonyms> (167)
N/A

>  <Target> (167)
ERK,S6 Kinase

>  <Form> (167)
free base

>  <CAS> (167)
839707-37-8

>  <URL> (167)
http://selleckchem.com/products/pluripotin-sc1.html

$$$$
IMR-1.cdx
csChFnd80/12102409582D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (168)
3140

>  <Formula> (168)
C15H15NO5S2

>  <MolWeight> (168)
353.4133

>  <Cat> (168)
S8280

>  <Name> (168)
IMR-1

>  <Synonyms> (168)
N/A

>  <Target> (168)
Notch

>  <Form> (168)
free base

>  <CAS> (168)
310456-65-6

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

$$$$
IQ-1.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (169)
3141

>  <Formula> (169)
C21H22N4O2

>  <MolWeight> (169)
362.42498

>  <Cat> (169)
S8248

>  <Name> (169)
IQ-1

>  <Synonyms> (169)
N/A

>  <Target> (169)
PP2A,Wnt/beta-catenin

>  <Form> (169)
free base

>  <CAS> (169)
331001-62-8

>  <URL> (169)
http://selleckchem.com/products/iq-1.html

$$$$
PRIMA-1.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (170)
3169

>  <Formula> (170)
C9H15NO3

>  <MolWeight> (170)
185.2203

>  <Cat> (170)
S7723

>  <Name> (170)
PRIMA-1

>  <Synonyms> (170)
2,2-Bis(hydroxymethyl)-3-quinuclidinone

>  <Target> (170)
p53

>  <Form> (170)
free base

>  <CAS> (170)
5608-24-2

>  <URL> (170)
http://selleckchem.com/products/prima-1.html

$$$$
SIS3.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (171)
3174

>  <Formula> (171)
C28H28ClN3O3

>  <MolWeight> (171)
489.99322

>  <Cat> (171)
S7959

>  <Name> (171)
SIS3 HCl

>  <Synonyms> (171)
N/A

>  <Target> (171)
TGF-beta/Smad

>  <Form> (171)
hydrochloride

>  <CAS> (171)
521984-48-5

>  <URL> (171)
https://www.selleckchem.com/products/sis3-hcl.html

$$$$
MK-4101.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (172)
3175

>  <Formula> (172)
C24H24F5N5O

>  <MolWeight> (172)
493.472276

>  <Cat> (172)
S8200

>  <Name> (172)
MK-4101

>  <Synonyms> (172)
N/A

>  <Target> (172)
Hedgehog/Smoothened

>  <Form> (172)
free base

>  <CAS> (172)
935273-79-3

>  <URL> (172)
http://selleckchem.com/products/mk-4101.html

$$$$
KYA1797K.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (173)
3185

>  <Formula> (173)
C17H11KN2O6S2

>  <MolWeight> (173)
442.50734

>  <Cat> (173)
S8327

>  <Name> (173)
KYA1797K

>  <Synonyms> (173)
N/A

>  <Target> (173)
Wnt/beta-catenin

>  <Form> (173)
potassium salt

>  <CAS> (173)
1956356-56-1

>  <URL> (173)
http://selleckchem.com/products/kya1797k.html

$$$$
BMS-911543.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (174)
3198

>  <Formula> (174)
C23H28N8O

>  <MolWeight> (174)
432.52142

>  <Cat> (174)
S7144

>  <Name> (174)
BMS-911543

>  <Target> (174)
JAK

>  <Form> (174)
free base

>  <CAS> (174)
1271022-90-2

>  <URL> (174)
http://selleckchem.com/products/bms-911543.html

$$$$
Alantolactone.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (175)
3213

>  <Formula> (175)
C15H20O2

>  <MolWeight> (175)
232.3181

>  <Cat> (175)
S8318

>  <Name> (175)
Alantolactone

>  <Synonyms> (175)
helenin, helenine, Eupatal

>  <Target> (175)
TGF-beta/Smad

>  <Form> (175)
free base

>  <CAS> (175)
546-43-0

>  <URL> (175)
http://selleckchem.com/products/alantolactone.html

$$$$
SKL2001.cdx
csChFnd80/12102409582D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (176)
3215

>  <Formula> (176)
C14H14N4O3

>  <MolWeight> (176)
286.28596

>  <Cat> (176)
S8320

>  <Name> (176)
SKL2001

>  <Synonyms> (176)
N/A

>  <Target> (176)
Wnt/beta-catenin

>  <Form> (176)
free base

>  <CAS> (176)
909089-13-0

>  <URL> (176)
http://selleckchem.com/products/skl2001.html

$$$$
GSK269962.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (177)
3225

>  <Formula> (177)
C29H31ClN8O5

>  <MolWeight> (177)
607.06004

>  <Cat> (177)
S7687

>  <Name> (177)
GSK269962A HCl

>  <Synonyms> (177)
GSK269962B, GSK269962, GSK 269962

>  <Target> (177)
ROCK

>  <Form> (177)
hydrochloride

>  <CAS> (177)
2095432-71-4

>  <URL> (177)
http://selleckchem.com/products/gsk269962.html

$$$$
HPI-4 (Ciliobrevin A).cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (178)
3233

>  <Formula> (178)
C17H9Cl2N3O2

>  <MolWeight> (178)
358.17826

>  <Cat> (178)
S8249

>  <Name> (178)
HPI-4 (Ciliobrevin A)

>  <Synonyms> (178)
Hedgehog Pathway Inhibitor 4

>  <Target> (178)
Hedgehog/Smoothened

>  <Form> (178)
free base

>  <CAS> (178)
302803-72-1

>  <URL> (178)
http://selleckchem.com/products/hpi-4-ciliobrevin-a.html

$$$$
XMU-MP-1.cdx
csChFnd80/12102409582D

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 11  5  1  0  0  0  0
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 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (179)
3251

>  <Formula> (179)
C17H16N6O3S2

>  <MolWeight> (179)
416.47734

>  <Cat> (179)
S8334

>  <Name> (179)
XMU-MP-1

>  <Synonyms> (179)
N/A

>  <Target> (179)
MST

>  <Form> (179)
free base

>  <CAS> (179)
2061980-01-4

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

$$$$
Y-39983 HCl.cdx
csChFnd80/12102409582D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
3252

>  <Formula> (180)
C16H18Cl2N4O

>  <MolWeight> (180)
353.24632

>  <Cat> (180)
S7935

>  <Name> (180)
Y-39983 HCl

>  <Synonyms> (180)
Y-33075 HCl

>  <Target> (180)
ROCK

>  <Form> (180)
dihydrochloride

>  <CAS> (180)
173897-44-4

>  <URL> (180)
http://selleckchem.com/products/y-39983-hcl.html

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/12102409582D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
3253

>  <Formula> (181)
C10H17NO3

>  <MolWeight> (181)
199.24688

>  <Cat> (181)
S7724

>  <Name> (181)
Eprenetapopt (APR-246)

>  <Synonyms> (181)
PRIMA-1MET

>  <Target> (181)
Apoptosis related,Autophagy,p53

>  <Form> (181)
free base

>  <CAS> (181)
5291-32-7

>  <URL> (181)
http://selleckchem.com/products/apr-246-prima-1met.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12102409582D

 27 30  0  0  0  0  0  0  0  0999 V2000
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ZINC00881524 (ROCK inhibitor)

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ROCK

>  <Form> (182)
free base

>  <CAS> (182)
557782-81-7

>  <URL> (182)
http://selleckchem.com/products/zinc00881524-rock-inhibitor.html

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Crenigacestat (LY3039478)

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Gamma-secretase,Notch

>  <Form> (183)
free base

>  <CAS> (183)
1421438-81-4

>  <URL> (183)
http://selleckchem.com/products/ly3039478.html

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STAT

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free base

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1334493-07-0

>  <URL> (184)
http://selleckchem.com/products/bp-1-102.html

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Wnt/beta-catenin

>  <Form> (185)
free base

>  <CAS> (185)
113906-27-7

>  <URL> (185)
http://selleckchem.com/products/pnu-74654.html

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M  END
>  <Mol_ID> (186)
3288

>  <Formula> (186)
C29H28F5N3O5S

>  <MolWeight> (186)
625.606736

>  <Cat> (186)
S7923

>  <Name> (186)
SH5-07 (SH-5-07)

>  <Synonyms> (186)
N/A

>  <Target> (186)
STAT

>  <Form> (186)
free base

>  <CAS> (186)
1456632-41-9

>  <URL> (186)
http://selleckchem.com/products/sh5-07.html

$$$$
CP21R7 (CP21).cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (187)
3303

>  <Formula> (187)
C19H15N3O2

>  <MolWeight> (187)
317.3413

>  <Cat> (187)
S7954

>  <Name> (187)
CP21R7 (CP21)

>  <Synonyms> (187)
N/A

>  <Target> (187)
GSK-3,Wnt/beta-catenin

>  <Form> (187)
free base

>  <CAS> (187)
125314-13-8

>  <URL> (187)
http://selleckchem.com/products/cp21r7-cp21.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/12102409582D

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A   23
xH2O
M  END
>  <Mol_ID> (188)
3308

>  <Formula> (188)
C14H18ClN3O3RS

>  <MolWeight> (188)
343.82902

>  <Cat> (188)
S8208

>  <Name> (188)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (188)
N/A

>  <Target> (188)
ROCK

>  <Form> (188)
hydrochloride

>  <CAS> (188)
155558-32-0 (HCl salt)

>  <URL> (188)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
LF3.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (189)
3322

>  <Formula> (189)
C20H24N4O2S2

>  <MolWeight> (189)
416.56016

>  <Cat> (189)
S8474

>  <Name> (189)
LF3

>  <Synonyms> (189)
N/A

>  <Target> (189)
Wnt/beta-catenin

>  <Form> (189)
free base

>  <CAS> (189)
664969-54-4

>  <URL> (189)
http://selleckchem.com/products/lf3.html

$$$$
HJC0152.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (190)
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>  <Formula> (190)
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>  <MolWeight> (190)
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>  <Cat> (190)
S8561

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HJC0152

>  <Synonyms> (190)
N/A

>  <Target> (190)
STAT

>  <Form> (190)
hydrochloride

>  <CAS> (190)
1420290-99-8

>  <URL> (190)
http://selleckchem.com/products/hjc0152.html

$$$$
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>  <Mol_ID> (191)
3420

>  <Formula> (191)
C33H45Cl4N3O2

>  <MolWeight> (191)
657.5413

>  <Cat> (191)
S8597

>  <Name> (191)
LYN-1604

>  <Synonyms> (191)
N/A

>  <Target> (191)
Autophagy,ULK

>  <Form> (191)
dihydrochloride

>  <CAS> (191)
2088939-99-3

>  <URL> (191)
http://selleckchem.com/products/lyn-1604.html

$$$$
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>  <Mol_ID> (192)
3421

>  <Formula> (192)
C24H25FN6O2

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S8644

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GNF-6231

>  <Synonyms> (192)
N/A

>  <Target> (192)
PORCN

>  <Form> (192)
free base

>  <CAS> (192)
1243245-18-2

>  <URL> (192)
http://selleckchem.com/products/gnf-6231.html

$$$$
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COTI-2

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N/A

>  <Target> (193)
p53

>  <Form> (193)
free base

>  <CAS> (193)
1039455-84-9

>  <URL> (193)
http://selleckchem.com/products/coti-2.html

$$$$
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2226521-65-7

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free base

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901751-47-1

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TTI 101

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STAT

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free base

>  <CAS> (196)
432001-19-9

>  <URL> (196)
http://selleckchem.com/products/c188-9.html

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300802-28-2

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M  END
>  <Mol_ID> (198)
3489

>  <Formula> (198)
C6H6Na3O9P

>  <MolWeight> (198)
322.049511

>  <Cat> (198)
S5115

>  <Name> (198)
Sodium L-ascorbyl-2-phosphate

>  <Synonyms> (198)
Sodium ascorbyl monophosphate, Sodium ascorbyl phosphate

>  <Target> (198)
c-Met

>  <Form> (198)
sodium salt

>  <CAS> (198)
66170-10-3

>  <URL> (198)
http://selleckchem.com/products/sodium-l-ascorbyl-2-phosphate.html

$$$$
PF-06651600.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (199)
3492

>  <Formula> (199)
C15H19N5O

>  <MolWeight> (199)
285.34426

>  <Cat> (199)
S8538

>  <Name> (199)
Ritlecitinib (PF-06651600)

>  <Synonyms> (199)
N/A

>  <Target> (199)
JAK

>  <Form> (199)
free base

>  <CAS> (199)
1792180-81-4

>  <URL> (199)
http://selleckchem.com/products/pf-06651600.html

$$$$
2-D08.cdx
csChFnd80/12102409582D

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M  END
>  <Mol_ID> (200)
3517

>  <Formula> (200)
C15H10O5

>  <MolWeight> (200)
270.2369

>  <Cat> (200)
S8696

>  <Name> (200)
2-D08

>  <Synonyms> (200)
2',3',4'-trihydroxy flavone

>  <Target> (200)
SUMO

>  <Form> (200)
free base

>  <CAS> (200)
144707-18-6

>  <URL> (200)
http://selleckchem.com/products/2-d08.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/12102409582D

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>  <Mol_ID> (201)
3545

>  <Formula> (201)
C26H23F4N9O

>  <MolWeight> (201)
553.5141328

>  <Cat> (201)
S7812

>  <Name> (201)
Itacitinib (INCB39110)

>  <Synonyms> (201)
N/A

>  <Target> (201)
JAK

>  <Form> (201)
free base

>  <CAS> (201)
1334298-90-6

>  <URL> (201)
http://selleckchem.com/products/itacitinib-incb39110.html

$$$$
IWP-O1.cdx
csChFnd80/12102409582D

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>  <Mol_ID> (202)
3548

>  <Formula> (202)
C26H20N6O

>  <MolWeight> (202)
432.4766

>  <Cat> (202)
S8645

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IWP-O1

>  <Synonyms> (202)
N/A

>  <Target> (202)
PORCN

>  <Form> (202)
free base

>  <CAS> (202)
2074607-48-8

>  <URL> (202)
http://selleckchem.com/products/iwp-O1.html

$$$$
AS1517499.cdx
csChFnd80/12102409582D

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   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 20  1  0  0  0  0
M  END
>  <Mol_ID> (203)
3591

>  <Formula> (203)
C20H20ClN5O2

>  <MolWeight> (203)
397.8581

>  <Cat> (203)
S8685

>  <Name> (203)
AS1517499

>  <Synonyms> (203)
N/A

>  <Target> (203)
STAT

>  <Form> (203)
free base

>  <CAS> (203)
919486-40-1

>  <URL> (203)
http://selleckchem.com/products/as1517499.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/12102409582D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 13  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
3657

>  <Formula> (204)
C17H21N6O4P

>  <MolWeight> (204)
404.360201

>  <Cat> (204)
S5243

>  <Name> (204)
Ruxolitinib Phosphate

>  <Synonyms> (204)
INCB018424, INC424

>  <Target> (204)
Apoptosis related,Autophagy,JAK,Mitophagy

>  <Form> (204)
phosphate

>  <CAS> (204)
1092939-17-7

>  <URL> (204)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
PK11007.cdx
csChFnd80/12102409582D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
M  END
>  <Mol_ID> (205)
3726

>  <Formula> (205)
C6H5ClN2O4S

>  <MolWeight> (205)
236.6329

>  <Cat> (205)
S8728

>  <Name> (205)
PK11000

>  <Synonyms> (205)
N/A

>  <Target> (205)
p53

>  <Form> (205)
free base

>  <CAS> (205)
38275-34-2

>  <URL> (205)
https://www.selleckchem.com/products/pk11000.html

$$$$
S5137 O-Phospho-L-serine.cdx
csChFnd80/12102409582D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (206)
3743

>  <Formula> (206)
C3H8NO6P

>  <MolWeight> (206)
185.072481

>  <Cat> (206)
S5137

>  <Name> (206)
O-Phospho-L-serine

>  <Synonyms> (206)
Dexfosfoserine

>  <Target> (206)
GluR

>  <Form> (206)
free base

>  <CAS> (206)
407-41-0

>  <URL> (206)
http://selleckchem.com/products/o-phospho-l-serine.html

$$$$
S5439 5-Bromoindole.cdx
csChFnd80/12102409582D

 10 11  0  0  0  0  0  0  0  0999 V2000
    3.6292    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9590    0.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (207)
3805

>  <Formula> (207)
C8H6BrN

>  <MolWeight> (207)
196.04394

>  <Cat> (207)
S5439

>  <Name> (207)
5-Bromoindole

>  <Synonyms> (207)
N/A

>  <Target> (207)
GSK-3

>  <Form> (207)
free base

>  <CAS> (207)
10075-50-0

>  <URL> (207)
http://selleckchem.com/products/5-bromoindole.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/12102409582D

 72 80  0  0  0  0  0  0  0  0999 V2000
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   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (208)
3860

>  <Formula> (208)
C49H76O20

>  <MolWeight> (208)
985.11574

>  <Cat> (208)
S5554

>  <Name> (208)
Lanatoside C

>  <Synonyms> (208)
N/A

>  <Target> (208)
Akt,Antiviral,Apoptosis related,Autophagy,JAK,mTOR,PI3K,STAT,Wnt/beta-catenin

>  <Form> (208)
free base

>  <CAS> (208)
17575-22-3

>  <URL> (208)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5588 Creatine.cdx
csChFnd80/12102409582D

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  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (209)
3882

>  <Formula> (209)
C4H9N3O2

>  <MolWeight> (209)
131.13316

>  <Cat> (209)
S5588

>  <Name> (209)
Creatine

>  <Synonyms> (209)
Methylguanidoacetic acid

>  <Target> (209)
IFN,JAK

>  <Form> (209)
free base

>  <CAS> (209)
57-00-1

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

$$$$
S9416 Triptonide.cdx
csChFnd80/12102409582D

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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> (210)
4029

>  <Formula> (210)
C20H22O6

>  <MolWeight> (210)
358.38508

>  <Cat> (210)
S9416

>  <Name> (210)
Triptonide

>  <Target> (210)
Wnt/beta-catenin

>  <Form> (210)
free base

>  <CAS> (210)
38647-11-9

>  <URL> (210)
https://www.selleckchem.com/products/triptonide.html

$$$$

csChFnd80/12102409582D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    2.4401    2.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (211)
4062

>  <Formula> (211)
C10H14N4O2

>  <MolWeight> (211)
222.24376

>  <Cat> (211)
S5836

>  <Name> (211)
IBMX

>  <Synonyms> (211)
Isobutylmethylxanthine, 1-Methyl-3-Isobutylxanthine

>  <Target> (211)
PDE

>  <Form> (211)
Free Base

>  <CAS> (211)
28822-58-4

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

$$$$

csChFnd80/12102409582D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4110    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (212)
4088

>  <Formula> (212)
C6H6Br6

>  <MolWeight> (212)
557.53584

>  <Cat> (212)
S5902

>  <Name> (212)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (212)
NSC7908

>  <Target> (212)
JAK

>  <Form> (212)
Free Base

>  <CAS> (212)
1837-91-8

>  <URL> (212)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/12102409582D

 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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (213)
4089

>  <Formula> (213)
C16H15N3O3

>  <MolWeight> (213)
297.3086

>  <Cat> (213)
S5903

>  <Name> (213)
JANEX-1

>  <Synonyms> (213)
WHI-P131

>  <Target> (213)
JAK

>  <Form> (213)
Free Base

>  <CAS> (213)
202475-60-3

>  <URL> (213)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/12102409582D

 24 26  0  0  0  0  0  0  0  0999 V2000
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    6.0813    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8610    2.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9361    6.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 19  1  0  0  0  0
  7 11  1  0  0  0  0
  4  7  1  0  0  0  0
  6 21  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
>  <Mol_ID> (214)
4090

>  <Formula> (214)
C16H13Br2N3O3

>  <MolWeight> (214)
455.10072

>  <Cat> (214)
S5904

>  <Name> (214)
WHI-P97

>  <Synonyms> (214)
N/A

>  <Target> (214)
JAK

>  <Form> (214)
Free Base

>  <CAS> (214)
211555-05-4

>  <URL> (214)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/12102409582D

 29 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3125    2.6125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    6.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6958    8.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9082    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7579    3.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3327    5.2930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6850    4.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3227    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0473    6.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0373    4.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  4  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 12 13  1  0  0  0  0
  7 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (215)
4101

>  <Formula> (215)
C22H23N5O2

>  <MolWeight> (215)
389.45032

>  <Cat> (215)
S5917

>  <Name> (215)
Solcitinib

>  <Synonyms> (215)
GLPG0778, GSK2586184

>  <Target> (215)
JAK

>  <Form> (215)
Free Base

>  <CAS> (215)
1206163-45-2

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

$$$$

csChFnd80/12102409582D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    4.8615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2425    5.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    4.8615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    2.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6052    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    1.0781    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 11 15  1  0  0  0  0
  9 13  1  0  0  0  0
  7  9  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  8 21  1  0  0  0  0
M  END
>  <Mol_ID> (216)
4103

>  <Formula> (216)
C18H22ClN5S

>  <MolWeight> (216)
375.91878

>  <Cat> (216)
S5919

>  <Name> (216)
KHS101 hydrochloride

>  <Synonyms> (216)
N/A

>  <Target> (216)
Microtubule Associated,TACC3

>  <Form> (216)
hydrochloride

>  <CAS> (216)
1784282-12-7

>  <URL> (216)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/12102409582D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (217)
4133

>  <Formula> (217)
C14H11ClN4S2

>  <MolWeight> (217)
334.84694

>  <Cat> (217)
S8700

>  <Name> (217)
TP0427736 HCl

>  <Synonyms> (217)
N/A

>  <Target> (217)
TGF-beta/Smad

>  <Form> (217)
hydrochloride

>  <CAS> (217)
864374-00-5

>  <URL> (217)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/12102409582D

 38 43  0  0  0  0  0  0  0  0999 V2000
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    8.4728    6.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8503    8.0103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1414    6.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2626    9.4512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940    9.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6344    9.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9659    9.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0063   10.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2570    8.1533    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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 13  8  1  0  0  0  0
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 16 13  1  0  0  0  0
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 25 21  1  0  0  0  0
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 27 28  1  0  0  0  0
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 31 26  1  0  0  0  0
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 33 38  2  0  0  0  0
M  END
>  <Mol_ID> (218)
4150

>  <Formula> (218)
C29H24FN7O

>  <MolWeight> (218)
505.5455632

>  <Cat> (218)
S8761

>  <Name> (218)
Adavivint (SM04690)

>  <Synonyms> (218)
Lorecivivint

>  <Target> (218)
Wnt/beta-catenin

>  <Form> (218)
Free Base

>  <CAS> (218)
1467093-03-3

>  <URL> (218)
http://www.selleckchem.com/products/adavivint.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/12102409582D

 40 44  0  0  0  0  0  0  0  0999 V2000
    9.6971    2.8320    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3536    3.1498    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3382    1.5555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4219    4.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    3.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2274    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2197    4.5434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0769    3.7797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6971    0.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.2274    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    5.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8505   11.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267   11.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8740    9.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7204    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
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  1  6  0  0  0
  7 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
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 13 16  1  0  0  0  0
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 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
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 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 26 27  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  1  0  0  0  0
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M  END
>  <Mol_ID> (219)
4160

>  <Formula> (219)
C29H39NO9

>  <MolWeight> (219)
545.62126

>  <Cat> (219)
S9015

>  <Name> (219)
Homoharringtonine (CGX-635)

>  <Synonyms> (219)
Omacetaxine mepesuccinate, HHT, Myelostat, NSC 141633

>  <Target> (219)
STAT

>  <CAS> (219)
26833-87-4

>  <URL> (219)
https://www.selleckchem.com/products/homoharringtonine.html

$$$$
S9297 Kirenol.cdx
csChFnd80/12102409582D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6040    3.6807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8138    4.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6040    2.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4028    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    5.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152    3.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138    5.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4028    1.5593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8138    1.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    3.6807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2380    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0152    6.4584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1800    2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9352    0.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6 12  1  0  0  0  0
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  8 14  1  0  0  0  0
  8 15  1  6  0  0  0
  8 16  1  0  0  0  0
  9 12  1  0  0  0  0
 10 17  1  1  0  0  0
 10 14  1  0  0  0  0
 11 18  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
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 21 23  1  0  0  0  0
 18 26  1  1  0  0  0
M  END
>  <Mol_ID> (220)
4372

>  <Formula> (220)
C20H34O4

>  <MolWeight> (220)
338.48156

>  <Cat> (220)
S9297

>  <Name> (220)
Kirenol

>  <Target> (220)
Immunology & Inflammation related

>  <Form> (220)
free base

>  <CAS> (220)
52659-56-0

>  <URL> (220)
https://www.selleckchem.com/products/kirenol.html

$$$$

csChFnd80/12102409582D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (221)
4661

>  <Formula> (221)
C16H20N7O6PS

>  <MolWeight> (221)
469.412061

>  <Cat> (221)
S5754

>  <Name> (221)
Baricitinib phosphate

>  <Synonyms> (221)
INCB-028050 phosphate, LY-3009104 phosphate

>  <Target> (221)
COVID-19,JAK

>  <Form> (221)
phosphate

>  <CAS> (221)
1187595-84-1

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

$$$$

csChFnd80/12102409582D

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.7921    1.5112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4484    3.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6746    2.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7711    3.8699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4682    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7714    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3781    1.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8746    2.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4575    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  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
  5  9  1  0  0  0  0
  4  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  2 10  2  0  0  0  0
  3 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (222)
4690

>  <Formula> (222)
C16H17BrN2S

>  <MolWeight> (222)
349.28858

>  <Cat> (222)
S5791

>  <Name> (222)
Cyclic Pifithrin-¦Á hydrobromide

>  <Synonyms> (222)
N/A

>  <Target> (222)
p53

>  <Form> (222)
hydrobromide

>  <CAS> (222)
511296-88-1

>  <URL> (222)
http://www.selleckchem.com/products/cyclic-pifithrin-hydrobromide.html

$$$$

csChFnd80/12102409582D

 10  8  0  0  0  0  0  0  0  0999 V2000
    1.2110    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6359    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2732    2.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    1.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2732    3.9955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8594    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  1  9  3  0  0  0  0
M  END
>  <Mol_ID> (223)
4705

>  <Formula> (223)
C5H10ClN3S

>  <MolWeight> (223)
179.671

>  <Cat> (223)
S5811

>  <Name> (223)
Kevetrin hydrochloride

>  <Synonyms> (223)
Thioureidobutyronitrile HCl

>  <Target> (223)
p53

>  <Form> (223)
hydrochloride

>  <CAS> (223)
66592-89-0

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

$$$$

csChFnd80/12102409582D

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.3030    3.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3030    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    1.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    1.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8639    3.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888    4.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6931    4.5314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5930    3.4589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7932    5.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    5.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3755    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    2.1449    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479    0.1726    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4755    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7222    3.9935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500    3.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264    3.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0812    4.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1523    5.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4719    5.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515    4.0393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3515    5.2518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9515    2.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4390    4.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    4.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    6.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    6.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  2 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 20  1  0  0  0  0
 10 18  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 21 24  1  0  0  0  0
  5 21  1  0  0  0  0
M  END
>  <Mol_ID> (224)
4708

>  <Formula> (224)
C18H19F3N2O4S2

>  <MolWeight> (224)
448.4796696

>  <Cat> (224)
S5815

>  <Name> (224)
WAY-316606

>  <Synonyms> (224)
N/A

>  <Target> (224)
SFRP,Wnt/beta-catenin

>  <Form> (224)
Free Base

>  <CAS> (224)
915759-45-4

>  <URL> (224)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/12102409582D

 32 36  0  0  0  0  0  0  0  0999 V2000
    2.4534    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    2.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    2.2547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    2.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8782    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6658    5.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    5.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0285    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    6.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907    5.0547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3031    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5155    5.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404    5.0547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    4.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2992    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6686    2.6713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3686    3.8837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4318    4.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2380    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7229    6.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0544    6.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3050    9.0324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9736    8.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6825    7.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3706    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  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
  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 19  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 24  1  0  0  0  0
M  END
>  <Mol_ID> (225)
4725

>  <Formula> (225)
C24H29N5O3

>  <MolWeight> (225)
435.51876

>  <Cat> (225)
S8772

>  <Name> (225)
LY 3200882

>  <Synonyms> (225)
N/A

>  <Target> (225)
TGF-beta/Smad

>  <Form> (225)
Free Base

>  <CAS> (225)
1898283-02-7

>  <URL> (225)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/12102409582D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 14 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (226)
5026

>  <Formula> (226)
C14H21N5O2S

>  <MolWeight> (226)
323.41384

>  <Cat> (226)
S8765

>  <Name> (226)
Abrocitinib (PF-04965842)

>  <Synonyms> (226)
N/A

>  <Target> (226)
JAK

>  <Form> (226)
free base

>  <CAS> (226)
1622902-68-4

>  <URL> (226)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/12102409582D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.7741    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7639    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7063    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 14 13  1  6  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (227)
5083

>  <Formula> (227)
C18H21F2N7O

>  <MolWeight> (227)
389.4024464

>  <Cat> (227)
S8804

>  <Name> (227)
Brepocitinib (PF-06700841)

>  <Synonyms> (227)
PF-841

>  <Target> (227)
JAK

>  <Form> (227)
Free Base

>  <CAS> (227)
1883299-62-4

>  <URL> (227)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/12102409582D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   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
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (228)
5101

>  <Formula> (228)
C13H8Cl2N2O4

>  <MolWeight> (228)
327.11962

>  <Cat> (228)
S3030

>  <Name> (228)
Niclosamide (BAY2353)

>  <Synonyms> (228)
Niclocide, NSC 178296

>  <Target> (228)
Autophagy,STAT

>  <Form> (228)
Free Base

>  <CAS> (228)
50-65-7

>  <URL> (228)
http://www.selleck.cn/products/niclosamide-niclocide.html

$$$$

csChFnd80/12102409582D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    5.3322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5282    7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    8.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6068    3.9628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9992    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5686    5.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6967    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 19  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (229)
5200

>  <Formula> (229)
C23H18N6O2

>  <MolWeight> (229)
410.42802

>  <Cat> (229)
S7137

>  <Name> (229)
GLPG0634 analogue

>  <Synonyms> (229)
N/A

>  <Target> (229)
JAK

>  <Form> (229)
Free Base

>  <CAS> (229)
1206101-20-3

>  <URL> (229)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/12102409582D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   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
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715   10.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    7.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    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  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 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
 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
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (230)
5204

>  <Formula> (230)
C19H18N4O3

>  <MolWeight> (230)
350.37122

>  <Cat> (230)
S8684

>  <Name> (230)
Selective JAK3 inhibitor 1

>  <Synonyms> (230)
N/A

>  <Target> (230)
JAK

>  <Form> (230)
Free Base

>  <CAS> (230)
1443235-95-7

>  <URL> (230)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/12102409582D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9865    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0544    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (231)
6450

>  <Formula> (231)
C14H14ClFN8

>  <MolWeight> (231)
348.7659632

>  <Cat> (231)
S2162

>  <Name> (231)
AZD1480

>  <Synonyms> (231)
N/A

>  <Target> (231)
JAK

>  <Form> (231)
free base

>  <CAS> (231)
935666-88-9

>  <URL> (231)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/12102409582D

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2745    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9117    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1811510-56-1

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JAK

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free base

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21561-09-1

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JAK

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free base

>  <CAS> (234)
195371-52-9

>  <URL> (234)
http://www.selleck.cn/products/nsc-42834.html

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N/A

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free base

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315703-52-7

>  <URL> (235)
http://www.selleck.cn/products/jk184.html

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>  <CAS> (236)
677331-12-3

>  <URL> (236)
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1315355-93-1

>  <URL> (242)
http://www.selleck.cn/products/ng25.html

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334951-90-5

>  <URL> (243)
http://www.selleck.cn/products/bibf-0775.html

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>  <CAS> (244)
1629138-41-5

>  <URL> (244)
http://www.selleck.cn/products/sri-011381.html

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  2 22  1  6  0  0  0
  3  2  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9 24  1  6  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12 14  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  1  1  0  0  0  0
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 17  5  1  0  0  0  0
 18 11  1  0  0  0  0
 19 13  1  0  0  0  0
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 21  6  1  0  0  0  0
 22 20  1  0  0  0  0
 23 15  2  0  0  0  0
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 18 25  1  6  0  0  0
 14 26  1  6  0  0  0
 27  5  2  0  0  0  0
  3 28  1  1  0  0  0
  4 29  1  1  0  0  0
  7 30  1  6  0  0  0
  8 31  1  1  0  0  0
 32 25  1  0  0  0  0
 33 25  2  0  0  0  0
 12 34  1  1  0  0  0
 35 15  1  0  0  0  0
 16 36  1  6  0  0  0
 37 39  2  0  0  0  0
 38 32  2  0  0  0  0
 39 33  1  0  0  0  0
 40 37  1  0  0  0  0
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 42 40  1  0  0  0  0
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 17 18  1  0  0  0  0
 37 38  1  0  0  0  0
 12  7  1  0  0  0  0
 16  8  1  0  0  0  0
M  END
>  <Mol_ID> (245)
6731

>  <Formula> (245)
C28H34O14

>  <MolWeight> (245)
594.56116

>  <Cat> (245)
S9235

>  <Name> (245)
Didymin

>  <Synonyms> (245)
Neoponcirin, Isosakuranetin-7-O-rutinoside

>  <Target> (245)
p53

>  <Form> (245)
Free Base

>  <CAS> (245)
14259-47-3

>  <URL> (245)
http://www.selleck.cn/products/didymin.html

$$$$

csChFnd80/12102409582D

 21 24  0  0  0  0  0  0  0  0999 V2000
    6.2497    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.4124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0746    5.4124    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
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 13  1  0  0  0  0
 10 12  1  0  0  0  0
  5 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 17  1  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 21  1  0  0  0  0
 18 20  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
>  <Mol_ID> (246)
6758

>  <Formula> (246)
C12H15N3O6

>  <MolWeight> (246)
297.264

>  <Cat> (246)
S2427

>  <Name> (246)
Triglycidyl Isocyanurate (Teroxirone)

>  <Synonyms> (246)
Tris(2,3-epoxypropyl) Isocyanurate, TGI, TGIC

>  <Target> (246)
DNA/RNA Synthesis,p53

>  <Form> (246)
Free Base

>  <CAS> (246)
2451-62-9

>  <URL> (246)
http://www.selleckchem.com/products/triglycidyl-isocyanurat.html

$$$$

csChFnd80/12102409582D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5 11  1  0  0  0  0
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 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  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
M  END
>  <Mol_ID> (247)
6773

>  <Formula> (247)
C15H11ClF3NO

>  <MolWeight> (247)
313.7021496

>  <Cat> (247)
S8951

>  <Name> (247)
TED-347

>  <Synonyms> (247)
N/A

>  <Target> (247)
TEAD,YAP

>  <Form> (247)
Free Base

>  <CAS> (247)
2378626-29-8

>  <URL> (247)
http://www.selleckchem.com/products/ted-347.html

$$$$

csChFnd80/12102409582D

 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
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  0  0  0  0
 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (248)
6785

>  <Formula> (248)
C20H13FN4O2

>  <MolWeight> (248)
360.3412232

>  <Cat> (248)
S5183

>  <Name> (248)
PD 169316

>  <Synonyms> (248)
N/A

>  <Target> (248)
Enterovirus,p38 MAPK,TGF-beta/Smad

>  <Form> (248)
Free Base

>  <CAS> (248)
152121-53-4

>  <URL> (248)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12102409582D

 22 24  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
M  END
>  <Mol_ID> (249)
6799

>  <Formula> (249)
C16H11N3O3

>  <MolWeight> (249)
293.27684

>  <Cat> (249)
S6784

>  <Name> (249)
STAT5-IN-1

>  <Synonyms> (249)
N/A

>  <Target> (249)
STAT

>  <Form> (249)
Free Base

>  <CAS> (249)
285986-31-4

>  <URL> (249)
http://www.selleckchem.com/products/stat-in-1.html

$$$$

csChFnd80/12102409582D

 25 28  0  0  0  0  0  0  0  0999 V2000
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   10.1782    8.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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6812

>  <Formula> (250)
C20H13F2N3

>  <MolWeight> (250)
333.3341264

>  <Cat> (250)
S6807

>  <Name> (250)
TA-02

>  <Synonyms> (250)
N/A

>  <Target> (250)
p38 MAPK,TGF-beta/Smad

>  <Form> (250)
Free Base

>  <CAS> (250)
1784751-19-4

>  <URL> (250)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12102409582D

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M  END
>  <Mol_ID> (251)
6823

>  <Formula> (251)
C12H8N2

>  <MolWeight> (251)
180.20532

>  <Cat> (251)
S6830

>  <Name> (251)
o-Phenanthroline

>  <Synonyms> (251)
1,10-Phenanthroline, phen

>  <Target> (251)
MMP

>  <Form> (251)
Free Base

>  <CAS> (251)
66-71-7

>  <URL> (251)
http://www.selleckchem.com/products/o-phenanthroline.html

$$$$

csChFnd80/12102409582D

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 25 28  1  0  0  0  0
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M  END
>  <Mol_ID> (252)
6854

>  <Formula> (252)
C26H34N6O3S

>  <MolWeight> (252)
510.65156

>  <Cat> (252)
S0391

>  <Name> (252)
TG-89

>  <Synonyms> (252)
N/A

>  <Target> (252)
JAK

>  <Form> (252)
Free Base

>  <CAS> (252)
936091-56-4

>  <URL> (252)
http://www.selleckchem.com/products/tg-89.html

$$$$

csChFnd80/12102409582D

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>  <Mol_ID> (253)
6864

>  <Formula> (253)
C14H10BrNOS

>  <MolWeight> (253)
320.2043

>  <Cat> (253)
S0523

>  <Name> (253)
SB 4

>  <Synonyms> (253)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (253)
TGF-beta/Smad

>  <Form> (253)
Free Base

>  <CAS> (253)
100874-08-6

>  <URL> (253)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12102409582D

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M  END
>  <Mol_ID> (254)
6935

>  <Formula> (254)
C13H11NO5S2

>  <MolWeight> (254)
325.36014

>  <Cat> (254)
S0225

>  <Name> (254)
IMR-1A

>  <Synonyms> (254)
N/A

>  <Target> (254)
Notch

>  <Form> (254)
free base

>  <CAS> (254)
331862-41-0

>  <URL> (254)
http://www.selleckchem.com/products/imr-1a.html

$$$$

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 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  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
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (255)
6937

>  <Formula> (255)
C21H19N3O3

>  <MolWeight> (255)
361.39386

>  <Cat> (255)
S0268

>  <Name> (255)
DMX-5084

>  <Synonyms> (255)
N/A

>  <Target> (255)
MAP4K

>  <Form> (255)
free base

>  <CAS> (255)
2306178-56-1

>  <URL> (255)
http://www.selleckchem.com/products/dmx-5084.html

$$$$

csChFnd80/12102409582D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    4.8951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3903    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0878    0.0042    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    1.0249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.8854    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927    6.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 17 30  2  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (256)
6957

>  <Formula> (256)
C21H13ClF3N3O2

>  <MolWeight> (256)
431.7950296

>  <Cat> (256)
S0445

>  <Name> (256)
SC-43

>  <Synonyms> (256)
N/A

>  <Target> (256)
Apoptosis related,phosphatase,STAT

>  <Form> (256)
free base

>  <CAS> (256)
1400989-25-4

>  <URL> (256)
http://www.selleckchem.com/products/sc-43.html

$$$$

csChFnd80/12102409582D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (257)
6959

>  <Formula> (257)
C14H10N4O3S

>  <MolWeight> (257)
314.3192

>  <Cat> (257)
S0458

>  <Name> (257)
KY1220

>  <Synonyms> (257)
N/A

>  <Target> (257)
Ras,Wnt/beta-catenin

>  <Form> (257)
free base

>  <CAS> (257)
292168-79-7

>  <URL> (257)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/12102409582D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.7024    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (258)
6970

>  <Formula> (258)
C23H40N2O3

>  <MolWeight> (258)
392.5753

>  <Cat> (258)
S0752

>  <Name> (258)
AUDA

>  <Synonyms> (258)
N/A

>  <Target> (258)
Epoxide Hydrolase,Interleukins,MMP,p38 MAPK,TGF-beta/Smad,TNF-alpha

>  <Form> (258)
free base

>  <CAS> (258)
479413-70-2

>  <URL> (258)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/12102409582D

 35 37  0  0  0  0  0  0  0  0999 V2000
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8238    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    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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  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
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 23 24  1  0  0  0  0
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 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
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 28 34  1  0  0  0  0
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M  END
>  <Mol_ID> (259)
6976

>  <Formula> (259)
C28H29NO6

>  <MolWeight> (259)
475.53296

>  <Cat> (259)
S0818

>  <Name> (259)
STAT3-IN-1

>  <Synonyms> (259)
N/A

>  <Target> (259)
STAT

>  <Form> (259)
free base

>  <CAS> (259)
2059952-75-7

>  <URL> (259)
http://www.selleckchem.com/products/stat3-in-1.html

$$$$

csChFnd80/12102409582D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    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> (260)
6982

>  <Formula> (260)
C30H48O7

>  <MolWeight> (260)
520.69792

>  <Cat> (260)
S0949

>  <Name> (260)
Cucurbitacin IIb

>  <Synonyms> (260)
CuIIb, Dihydrocucurbitacin F, 25-deacetyl hemslecin A

>  <Target> (260)
Apoptosis related,ERK,I¦ÊB/IKK,JNK,NF-¦ÊB,STAT,TNF-alpha

>  <Form> (260)
free base

>  <CAS> (260)
50298-90-3

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

$$$$

csChFnd80/12102409582D

 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> (261)
7002

>  <Formula> (261)
C7H14O6

>  <MolWeight> (261)
194.18246

>  <Cat> (261)
S3223

>  <Name> (261)
L-Quebrachitol

>  <Synonyms> (261)
L-QCT

>  <Target> (261)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (261)
free base

>  <CAS> (261)
642-38-6

>  <URL> (261)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/12102409582D

 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> (262)
7010

>  <Formula> (262)
C24H32O4

>  <MolWeight> (262)
384.50848

>  <Cat> (262)
S3238

>  <Name> (262)
Resibufogenin

>  <Synonyms> (262)
Bufogenin, Recibufogenin

>  <Target> (262)
Akt,Apoptosis related,Bcl-2,Caspase,CDK,GSK-3,Mixed Lineage Kinase,PI3K,RIP kinase,ROS,Wnt/beta-catenin

>  <Form> (262)
free base

>  <CAS> (262)
465-39-4

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

$$$$

csChFnd80/12102409582D

 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> (263)
7033

>  <Formula> (263)
C27H30O15

>  <MolWeight> (263)
594.5181

>  <Cat> (263)
S3267

>  <Name> (263)
Kaempferol-3-O-rutinoside

>  <Synonyms> (263)
Nicotiflorin, Nikotoflorin, Kaempferol 3-O-¦Â-rutinoside

>  <Target> (263)
Apoptosis related,Bcl-2,Caspase,JAK,STAT

>  <Form> (263)
free base

>  <CAS> (263)
17650-84-9

>  <URL> (263)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/12102409582D

 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> (264)
7053

>  <Formula> (264)
C17H24O2

>  <MolWeight> (264)
260.37126

>  <Cat> (264)
S3292

>  <Name> (264)
Falcarindiol

>  <Synonyms> (264)
FAD, (3R,8S)-Falcarindiol, FaDOH

>  <Target> (264)
ERK,Interleukins,JNK,NOS,STAT,TNF-alpha

>  <Form> (264)
free base

>  <CAS> (264)
225110-25-8

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

$$$$

csChFnd80/12102409582D

 27 30  0  0  0  0  0  0  0  0999 V2000
    5.8638    1.6944    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4289    6.7052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8642    0.2815    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280    3.8225    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    0.3458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2824    1.6789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    5.1989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    4.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4980    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5095    3.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0940    3.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0721    2.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3074    5.8742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7063    1.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520    2.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1630    6.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9831    2.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4636    1.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5869    8.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2270    2.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9869    8.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9271    1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2356    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8857    4.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9806    1.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6473    4.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  1  0  0  0  0
  4 27  1  0  0  0  0
  5 18  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 24  3  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 25  2  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (265)
7106

>  <Formula> (265)
C20H12N2OS4

>  <MolWeight> (265)
424.58208

>  <Cat> (265)
S6898

>  <Name> (265)
RCM-1

>  <Synonyms> (265)
Robert Costa Memorial drug-1

>  <Target> (265)
FOXM1,Interleukins,STAT,Wnt/beta-catenin

>  <Form> (265)
free base

>  <CAS> (265)
339163-65-4

>  <URL> (265)
http://www.selleckchem.com/products/rcm-1.html

$$$$

csChFnd80/12102409582D

 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> (266)
7144

>  <Formula> (266)
C22H13FN2O5

>  <MolWeight> (266)
404.3474232

>  <Cat> (266)
S9602

>  <Name> (266)
Elraglusib

>  <Synonyms> (266)
9-ing-41

>  <Target> (266)
Apoptosis related,GSK-3

>  <Form> (266)
free base

>  <CAS> (266)
1034895-42-5

>  <URL> (266)
http://www.selleckchem.com/products/9-ing-41.html

$$$$

csChFnd80/12102409582D

 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
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    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
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    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
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  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> (267)
7188

>  <Formula> (267)
C21H18N2O

>  <MolWeight> (267)
314.38042

>  <Cat> (267)
S0765

>  <Name> (267)
MAZ51

>  <Synonyms> (267)
N/A

>  <Target> (267)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (267)
Free Base

>  <CAS> (267)
163655-37-6

>  <URL> (267)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/12102409582D

 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
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   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> (268)
7262

>  <Formula> (268)
C16H15FN2O4

>  <MolWeight> (268)
318.2997032

>  <Cat> (268)
S0153

>  <Name> (268)
SJ000291942

>  <Synonyms> (268)
N/A

>  <Target> (268)
TGF-beta/Smad

>  <Form> (268)
Free Base

>  <CAS> (268)
425613-09-8

>  <URL> (268)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12102409582D

 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> (269)
7285

>  <Formula> (269)
C16H11N3O3

>  <MolWeight> (269)
293.27684

>  <Cat> (269)
S0354

>  <Name> (269)
Alsterpaullone

>  <Synonyms> (269)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (269)
Apoptosis related,Caspase,CDK,GSK-3

>  <Form> (269)
Free Base

>  <CAS> (269)
237430-03-4

>  <URL> (269)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/12102409582D

 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
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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> (270)
7289

>  <Formula> (270)
C17H14Cl2N6O

>  <MolWeight> (270)
389.23866

>  <Cat> (270)
S0384

>  <Name> (270)
RO495

>  <Synonyms> (270)
CS-2667

>  <Target> (270)
JAK

>  <Form> (270)
Free Base

>  <CAS> (270)
1258296-60-4

>  <URL> (270)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/12102409582D

 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
    5.5048    1.9799    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> (271)
7323

>  <Formula> (271)
C18H13F2NO3

>  <MolWeight> (271)
329.2975264

>  <Cat> (271)
S0881

>  <Name> (271)
Mitochonic acid 5

>  <Synonyms> (271)
MA-5

>  <Target> (271)
ERK,Mitophagy,YAP

>  <Form> (271)
Free Base

>  <CAS> (271)
1354707-41-7

>  <URL> (271)
https://www.selleckchem.com/products/mitochonic-acid-5.html

$$$$

csChFnd80/12102409582D

 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
    3.6373    1.2123    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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    1.2125    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.9123    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> (272)
7471

>  <Formula> (272)
C15H15NO4S

>  <MolWeight> (272)
305.3489

>  <Cat> (272)
S6901

>  <Name> (272)
MSAB

>  <Synonyms> (272)
N/A

>  <Target> (272)
Wnt/beta-catenin

>  <Form> (272)
Free Base

>  <CAS> (272)
173436-66-3

>  <URL> (272)
https://www.selleckchem.com/products/msab.html

$$$$

csChFnd80/12102409582D

 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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    9.9613    0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.8531    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  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
 16 12  1  0  0  0  0
 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> (273)
7495

>  <Formula> (273)
C15H17F3N2O

>  <MolWeight> (273)
298.3034896

>  <Cat> (273)
S8950

>  <Name> (273)
MYF-01-37

>  <Synonyms> (273)
N/A

>  <Target> (273)
TEAD

>  <Form> (273)
Free Base

>  <CAS> (273)
2416417-65-5

>  <URL> (273)
https://www.selleckchem.com/products/myf-01-37.html

$$$$

csChFnd80/12102409582D

186188  0  0  0  0  0  0  0  0999 V2000
   13.3368   20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8796   21.4208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7097   25.6005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2525   26.7214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   71.3188   26.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.4968   22.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1023   28.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   71.1195   24.3130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (274)
7504

>  <Formula> (274)
C119H206N32O35

>  <MolWeight> (274)
2645.10234

>  <Cat> (274)
S9664

>  <Name> (274)
Colivelin

>  <Synonyms> (274)
CLN

>  <Target> (274)
Beta Amyloid,STAT

>  <Form> (274)
Free Base

>  <CAS> (274)
867021-83-8

>  <URL> (274)
https://www.selleckchem.com/products/colivelin.html

$$$$

csChFnd80/12102409582D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (275)
7523

>  <Formula> (275)
C15H18N2O

>  <MolWeight> (275)
242.31622

>  <Cat> (275)
S9719

>  <Name> (275)
CB-103

>  <Synonyms> (275)
N/A

>  <Target> (275)
Notch

>  <Form> (275)
Free Base

>  <CAS> (275)
218457-67-1

>  <URL> (275)
https://www.selleckchem.com/products/cb-103.html

$$$$

csChFnd80/12102409582D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
7526

>  <Formula> (276)
C17H8Cl3N3O2

>  <MolWeight> (276)
392.62332

>  <Cat> (276)
S9743

>  <Name> (276)
Ciliobrevin D

>  <Synonyms> (276)
N/A

>  <Target> (276)
Hedgehog/Smoothened

>  <Form> (276)
Free Base

>  <CAS> (276)
1370554-01-0

>  <URL> (276)
https://www.selleckchem.com/products/ciliobrevin-d.html

$$$$

csChFnd80/12102409582D

 29 29  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (277)
7824

>  <Formula> (277)
C22H28Cl2N4O

>  <MolWeight> (277)
435.38992

>  <Cat> (277)
E0035

>  <Name> (277)
CP-31398 Dihydrochloride

>  <Synonyms> (277)
N/A

>  <Target> (277)
p53

>  <Form> (277)
Dihydrochloride

>  <CAS> (277)
1217195-61-3

>  <URL> (277)
http://www.selleckchem.com/products/cp-31398-dihydrochloride.html

$$$$

csChFnd80/12102409582D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 15 24  2  0  0  0  0
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M  END
>  <Mol_ID> (278)
7926

>  <Formula> (278)
C20H22N4

>  <MolWeight> (278)
318.41548

>  <Cat> (278)
S9828

>  <Name> (278)
WAY-262611

>  <Synonyms> (278)
BML-WN110

>  <Target> (278)
Wnt/beta-catenin

>  <Form> (278)
Free Base

>  <CAS> (278)
1123231-07-1

>  <URL> (278)
http://www.selleckchem.com/products/way-262611.html

$$$$

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912545-86-9

>  <URL> (279)
http://www.selleckchem.com/products/smoothened-agonist-sag.html

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8254

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C17H22N4O

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free base

>  <CAS> (280)
1313491-22-3

>  <URL> (280)
http://www.selleckchem.com/products/vut-mk142.html

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csChFnd80/12102409582D

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8288

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C17H17NO2

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free base

>  <CAS> (281)
854847-61-3

>  <URL> (281)
http://www.selleckchem.com/products/hly78.html

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>  <URL> (282)
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>  <Mol_ID> (283)
8385

>  <Formula> (283)
C24H23N3O5S

>  <MolWeight> (283)
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>  <Cat> (283)
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>  <Name> (283)
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>  <Form> (283)
free base

>  <CAS> (283)
330829-30-6

>  <URL> (283)
http://www.selleckchem.com/products/mrt-10.html

$$$$

csChFnd80/12102409582D

 17 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (284)
8418

>  <Formula> (284)
C14H13NO2

>  <MolWeight> (284)
227.25852

>  <Cat> (284)
E0935

>  <Name> (284)
MS7972

>  <Target> (284)
p53

>  <Form> (284)
free base

>  <CAS> (284)
352553-42-5

>  <URL> (284)
http://www.selleckchem.com/products/ms7972.html

$$$$

csChFnd80/12102409582D

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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (285)
8597

>  <Formula> (285)
C25H42N6O11S2

>  <MolWeight> (285)
666.76458

>  <Cat> (285)
P1216

>  <Name> (285)
Box5

>  <Target> (285)
Wnt/beta-catenin

>  <Form> (285)
free base

>  <CAS> (285)
881188-48-3

>  <URL> (285)
http://www.selleckchem.com/products/box5.html

$$$$

csChFnd80/12102409582D

 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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    5.9274    2.4930    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   19.2087    4.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.4743    4.9485    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 33 34  1  0  0  0  0
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A   38
.
A   39
.
M  END
>  <Mol_ID> (286)
8616

>  <Formula> (286)
C12H12Mg3O18P2R2

>  <MolWeight> (286)
579.075402

>  <Cat> (286)
E2692

>  <Name> (286)
L-Ascorbic acid 2-phosphate sesquimagnesium salt

>  <Synonyms> (286)
2-Phospho-L-ascorbic acid magnesium

>  <Target> (286)
phosphatase,RUNX

>  <Form> (286)
sesquimagnesium salt

>  <CAS> (286)
113170-55-1

>  <URL> (286)
http://www.selleckchem.com/products/l-ascorbic-acid-2-phosphate-sesquimagnesium-salt.html

$$$$

csChFnd80/12102409582D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (287)
8683

>  <Formula> (287)
C23H24ClN5O

>  <MolWeight> (287)
421.92256

>  <Cat> (287)
S7981

>  <Name> (287)
CCT251545

>  <Synonyms> (287)
N/A

>  <Target> (287)
CDK,Wnt/beta-catenin

>  <Form> (287)
Free base

>  <CAS> (287)
1661839-45-7

>  <URL> (287)
http://www.selleckchem.com/products/cct251545.html

$$$$

csChFnd80/12102409582D

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M  END
>  <Mol_ID> (288)
8690

>  <Formula> (288)
C42H70O11

>  <MolWeight> (288)
750.9986

>  <Cat> (288)
S8129

>  <Name> (288)
Salinomycin (from Streptomyces albus)

>  <Synonyms> (288)
Coxistac, Bio-cox, Procoxacin

>  <Target> (288)
Wnt/beta-catenin

>  <Form> (288)
Free base

>  <CAS> (288)
53003-10-4

>  <URL> (288)
http://www.selleckchem.com/products/salinomycin.html

$$$$

csChFnd80/12102409582D

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M  END
>  <Mol_ID> (289)
8737

>  <Formula> (289)
C28H36N4O6S2

>  <MolWeight> (289)
588.73864

>  <Cat> (289)
S0733

>  <Name> (289)
Tegatrabetan (BC-2059)

>  <Synonyms> (289)
N/A

>  <Target> (289)
Wnt/beta-catenin

>  <Form> (289)
Free base

>  <CAS> (289)
1227637-23-1

>  <URL> (289)
http://www.selleckchem.com/products/tegatrabetan.html

$$$$

csChFnd80/12102409582D

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M  END
>  <Mol_ID> (290)
8767

>  <Formula> (290)
C17H14FN3O2

>  <MolWeight> (290)
311.3103632

>  <Cat> (290)
S3376

>  <Name> (290)
RBPJ Inhibitor-1 (RIN1)

>  <Synonyms> (290)
N/A

>  <Target> (290)
Notch

>  <Form> (290)
Free base

>  <CAS> (290)
2682114-39-0

>  <URL> (290)
http://www.selleckchem.com/products/rin1.html

$$$$

csChFnd80/12102409582D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 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 10  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
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 31 20  2  0  0  0  0
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M  END
>  <Mol_ID> (291)
8798

>  <Formula> (291)
C28H28FN5OS

>  <MolWeight> (291)
501.6182232

>  <Cat> (291)
S6668

>  <Name> (291)
NVS-ZP7-4

>  <Synonyms> (291)
N/A

>  <Target> (291)
Notch,Others

>  <Form> (291)
Free base

>  <CAS> (291)
2349367-89-9

>  <URL> (291)
http://www.selleckchem.com/products/nvs-zp7-4.html

$$$$

csChFnd80/12102409582D

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M  END
>  <Mol_ID> (292)
8867

>  <Formula> (292)
C33H35N6O7P

>  <MolWeight> (292)
658.640761

>  <Cat> (292)
S8968

>  <Name> (292)
PRI-724

>  <Synonyms> (292)
C-82 prodrug, ICG-001 analog

>  <Target> (292)
Epigenetic Reader Domain,Wnt/beta-catenin

>  <Form> (292)
Free base

>  <CAS> (292)
1422253-38-0

>  <URL> (292)
http://www.selleckchem.com/products/pri-724.html

$$$$

csChFnd80/12102409582D

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180181  1  0  0  0  0
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116117  1  0  0  0  0
116184  2  0  0  0  0
M  END
>  <Mol_ID> (293)
9015

>  <Formula> (293)
C108H206N52O24

>  <MolWeight> (293)
2617.12524

>  <Cat> (293)
S8187

>  <Name> (293)
ReACp53

>  <Synonyms> (293)
N/A

>  <Target> (293)
p53

>  <Form> (293)
Free base

>  <URL> (293)
http://www.selleckchem.com/products/reacp53.html

$$$$

csChFnd80/12102409582D

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   15.5389    3.5425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (294)
9034

>  <Formula> (294)
C23H20N4O3S3

>  <MolWeight> (294)
496.6249

>  <Cat> (294)
E0033

>  <Name> (294)
IWP-4

>  <Synonyms> (294)
N/A

>  <Target> (294)
Wnt/beta-catenin

>  <Form> (294)
Free base

>  <CAS> (294)
686772-17-8

>  <URL> (294)
http://www.selleckchem.com/products/iwp-4.html

$$$$
