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302962-49-8

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

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CGP-57148B, ST-1571 Mesylate

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PDGFR, c-Kit, Bcr-Abl

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Mesylate

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220127-57-1

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

$$$$
untitled.cdx
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Bcr-Abl

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Free Base

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

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (4)
32

>  <Formula> (4)
C23H28N8OS

>  <MolWeight> (4)
464.58642

>  <Cat> (4)
S1048

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VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
Aurora Kinase

>  <Form> (4)
Free Base

>  <CAS> (4)
639089-54-6

>  <URL> (4)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (5)
33

>  <Formula> (5)
C14H23Cl2N3O

>  <MolWeight> (5)
320.25792

>  <Cat> (5)
S1049

>  <Name> (5)
Y-27632 2HCl

>  <Synonyms> (5)
N/A

>  <Target> (5)
ROCK

>  <Form> (5)
Dihydrochloride

>  <CAS> (5)
129830-38-2

>  <URL> (5)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (6)
36

>  <Formula> (6)
C32H29N5O2

>  <MolWeight> (6)
515.60496

>  <Cat> (6)
S1055

>  <Name> (6)
Enzastaurin (LY317615)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
PKC 

>  <Form> (6)
Free Base

>  <CAS> (6)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (7)
42

>  <Formula> (7)
C22H16N4O3

>  <MolWeight> (7)
384.38744

>  <Cat> (7)
S1067

>  <Name> (7)
SB 431542

>  <Synonyms> (7)
N/A

>  <Target> (7)
TGF-beta/Smad

>  <Form> (7)
Free Base

>  <CAS> (7)
301836-41-9

>  <URL> (7)
http://www.selleckchem.com/products/SB-431542.html

$$$$
NVP-ADW742.cdx
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IGF-1R

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475488-23-4

>  <URL> (8)
http://www.selleckchem.com/products/NVP-ADW742.html

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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Free Base

>  <CAS> (9)
827318-97-8

>  <URL> (9)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

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N/A

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Bcr-Abl, JAK, Aurora Kinase

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Free Base

>  <CAS> (10)
896466-04-9

>  <URL> (10)
http://www.selleckchem.com/products/AT9283.html

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>  <Formula> (11)
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>  <Cat> (11)
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>  <Synonyms> (11)
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>  <Target> (11)
ROCK

>  <Form> (11)
Free Base

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1226056-71-8

>  <URL> (11)
http://www.selleckchem.com/products/Thiazovivin.html

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TGF-beta/Smad

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943319-70-8

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Bcr-Abl

>  <Form> (16)
Free Base

>  <CAS> (16)
1020172-07-9

>  <URL> (16)
http://www.selleckchem.com/products/dcc-2036.html

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TGF-beta/Smad

>  <Form> (17)
Free Base

>  <CAS> (17)
452342-67-5

>  <URL> (17)
http://www.selleckchem.com/products/gw788388.html

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>  <Synonyms> (18)
N/A 

>  <Target> (18)
TGF-beta/Smad 

>  <Form> (18)
Free Base

>  <CAS> (18)
694433-59-5

>  <URL> (18)
http://www.selleckchem.com/products/sb-505124.html

$$$$
Nocodazole.cdx
csChFnd80/12282214042D

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579

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C14H11N3O3S

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>  <Name> (19)
Nocodazole

>  <Synonyms> (19)
N/A 

>  <Target> (19)
Microtubule Associated

>  <Form> (19)
Free Base

>  <CAS> (19)
31430-18-9

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/12282214042D

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>  <Synonyms> (20)
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>  <Target> (20)
PKC 

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>  <CAS> (20)
425637-18-9

>  <URL> (20)
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$$$$
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
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M  END
>  <Mol_ID> (21)
623

>  <Formula> (21)
C15H10O7

>  <MolWeight> (21)
302.2357

>  <Cat> (21)
S2391

>  <Name> (21)
Quercetin (Sophoretin)

>  <Synonyms> (21)
Meletin, Quercetine

>  <Target> (21)
PI3K, PKC, Src, Sirtuin

>  <Form> (21)
Free Base

>  <CAS> (21)
117-39-5

>  <URL> (21)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

$$$$
KW2449.cdx
csChFnd80/12282214042D

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   11.2316    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1585    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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M  END
>  <Mol_ID> (22)
652

>  <Formula> (22)
C20H20N4O

>  <MolWeight> (22)
332.399

>  <Cat> (22)
S2158

>  <Name> (22)
KW 2449

>  <Synonyms> (22)
N/A

>  <Target> (22)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (22)
Free Base

>  <CAS> (22)
1000669-72-6

>  <URL> (22)
http://www.selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/12282214042D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (23)
656

>  <Formula> (23)
C9H6O4

>  <MolWeight> (23)
178.14154

>  <Cat> (23)
S2554

>  <Name> (23)
Daphnetin

>  <Synonyms> (23)
N/A 

>  <Target> (23)
DNA/RNA Synthesis

>  <Form> (23)
Free Base

>  <CAS> (23)
486-35-1

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

$$$$
NVP-BHG712.cdx
csChFnd80/12282214042D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (24)
676

>  <Formula> (24)
C26H20F3N7O

>  <MolWeight> (24)
503.4785096

>  <Cat> (24)
S2202

>  <Name> (24)
NVP-BHG712

>  <Synonyms> (24)
N/A

>  <Target> (24)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (24)
Free Base

>  <CAS> (24)
940310-85-0

>  <URL> (24)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
Hesperetin.cdx
csChFnd80/12282214042D

 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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 11 12  2  0  0  0  0
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  3 18  1  0  0  0  0
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M  END
>  <Mol_ID> (25)
728

>  <Formula> (25)
C16H14O6

>  <MolWeight> (25)
302.27876

>  <Cat> (25)
S2308

>  <Name> (25)
Hesperetin

>  <Synonyms> (25)
N/A

>  <Target> (25)
Histamine Receptor

>  <Form> (25)
Free Base

>  <CAS> (25)
520-33-2

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

$$$$
Myricitrin.cdx
csChFnd80/12282214042D

 33 36  0  0  0  0  0  0  0  0999 V2000
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    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (26)
743

>  <Formula> (26)
C21H20O12

>  <MolWeight> (26)
464.3763

>  <Cat> (26)
S2327

>  <Name> (26)
Myricitrin (Myricitrine)

>  <Synonyms> (26)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (26)
PKC

>  <Form> (26)
Free Base

>  <CAS> (26)
17912-87-7

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

$$$$
Oxymatrine.cdx
csChFnd80/12282214042D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
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  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (27)
752

>  <Formula> (27)
C15H24N2O2

>  <MolWeight> (27)
264.36326

>  <Cat> (27)
S2338

>  <Name> (27)
Oxymatrine (Matrine N-oxide)

>  <Synonyms> (27)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (27)
Others

>  <Form> (27)
Free Base

>  <CAS> (27)
16837-52-8 

>  <URL> (27)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

$$$$
Imatinib.cdx
csChFnd80/12282214042D

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 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
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 19  9  1  0  0  0  0
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 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
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 27 28  1  0  0  0  0
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 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
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 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (28)
786

>  <Formula> (28)
C29H31N7O

>  <MolWeight> (28)
493.60274

>  <Cat> (28)
S2475

>  <Name> (28)
Imatinib (STI571) 

>  <Synonyms> (28)
STI571, Glivec

>  <Form> (28)
Free Base

>  <CAS> (28)
152459-95-5

>  <URL> (28)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$

csChFnd80/12282214042D

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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (29)
798

>  <Formula> (29)
C22H30Cl2N4O6

>  <MolWeight> (29)
517.4028

>  <Cat> (29)
S2485

>  <Name> (29)
Mitoxantrone 2HCl

>  <Synonyms> (29)
NSC-301739

>  <Target> (29)
Topoisomerase

>  <Form> (29)
Dihydrochloride

>  <CAS> (29)
70476-82-3

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

$$$$
PP121.cdx
csChFnd80/12282214042D

 24 28  0  0  0  0  0  0  0  0999 V2000
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1092788-83-4

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http://www.selleckchem.com/products/PP121.html

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700874-72-2

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Akt

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937174-76-0

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http://www.selleckchem.com/products/GSK690693.html

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153436-53-4

>  <URL> (33)
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1149

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C26H26N4O3

>  <MolWeight> (35)
442.50964

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S2911

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Go 6983

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N/A

>  <Target> (35)
PKC

>  <Form> (35)
Free Base

>  <CAS> (35)
133053-19-7

>  <URL> (35)
http://www.selleckchem.com/products/go-6983.html

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/12282214042D

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>  <Mol_ID> (36)
1234

>  <Formula> (36)
C18H14N4O5S

>  <MolWeight> (36)
398.39256

>  <Cat> (36)
S1576

>  <Name> (36)
Sulfasalazine (Azulfidine)

>  <Synonyms> (36)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (36)
COX,NF-¦ÊB

>  <Form> (36)
Free Base

>  <CAS> (36)
599-79-1

>  <URL> (36)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

$$$$
GNF-2.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (37)
1238

>  <Formula> (37)
C18H13F3N4O2

>  <MolWeight> (37)
374.3166296

>  <Cat> (37)
S2899

>  <Name> (37)
GNF-2

>  <Synonyms> (37)
N/A

>  <Target> (37)
Bcr-Abl

>  <Form> (37)
Free Base

>  <CAS> (37)
778270-11-4

>  <URL> (37)
http://www.selleckchem.com/products/gnf-2.html

$$$$
NS-187.cdx
csChFnd80/12282214042D

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1726

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C30H31F3N8O

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NS-187

>  <Target> (38)
Abl,Lyn

>  <Form> (38)
Free Base

>  <CAS> (38)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (39)
1728

>  <Formula> (39)
C37H42Cl2N2O6

>  <MolWeight> (39)
681.64518

>  <Cat> (39)
S3609

>  <Name> (39)
Berbamine (dihydrochloride)

>  <Synonyms> (39)
N/A

>  <Target> (39)
NF-¦ÊB,bcr/abl

>  <Form> (39)
dihydrochloride

>  <CAS> (39)
6078-17-7

>  <URL> (39)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/12282214042D

 70 77  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
1742

>  <Formula> (40)
C48H78O19

>  <MolWeight> (40)
959.12152

>  <Cat> (40)
S3616

>  <Name> (40)
Asiaticoside

>  <Synonyms> (40)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (40)
Others

>  <Form> (40)
free base

>  <CAS> (40)
16830-15-2

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/12282214042D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
1765

>  <Formula> (41)
C11H8O3

>  <MolWeight> (41)
188.17942

>  <Cat> (41)
S3661

>  <Name> (41)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (41)
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>  <Target> (41)
PKC

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>  <CAS> (41)
2348-82-5

>  <URL> (41)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

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130848-06-5

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LY2109761

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N/A

>  <Target> (43)
TGF-beta/Smad

>  <Form> (43)
Free Base

>  <CAS> (43)
700874-71-1 

>  <URL> (43)
http://www.selleckchem.com/products/ly2109761.html

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TGF-beta/Smad

>  <Form> (44)
Free Base

>  <CAS> (44)
396129-53-6

>  <URL> (44)
http://www.selleckchem.com/products/ly364947.html

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>  <Cat> (45)
S7194

>  <Name> (45)
GZD824 Dimesylate 

>  <Synonyms> (45)
N/A

>  <Target> (45)
Bcr-Abl

>  <Form> (45)
Mesylate

>  <CAS> (45)
1421783-64-3

>  <URL> (45)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/12282214042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   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
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  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (46)
2020

>  <Formula> (46)
C16H14N4O2S

>  <MolWeight> (46)
326.37296

>  <Cat> (46)
S7195

>  <Name> (46)
RKI-1447

>  <Synonyms> (46)
N/A

>  <Target> (46)
ROCK

>  <Form> (46)
Free Base

>  <CAS> (46)
1342278-01-6

>  <URL> (46)
http://www.selleckchem.com/products/rki-1447.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/12282214042D

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  1  2  1  0  0  0  0
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 10  8  1  1  0  0  0
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 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (47)
2254

>  <Formula> (47)
C29H36O15

>  <MolWeight> (47)
624.58714

>  <Cat> (47)
S2323

>  <Name> (47)
Methyl-Hesperidin

>  <Form> (47)
free base

>  <CAS> (47)
 11013-97-1

$$$$
AZD5363.cdx
csChFnd80/12282214042D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.6935    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (48)
2304

>  <Formula> (48)
C21H25ClN6O2

>  <MolWeight> (48)
428.9152

>  <Cat> (48)
S8019

>  <Name> (48)
AZD5363

>  <Synonyms> (48)
N/A

>  <Target> (48)
Akt

>  <Form> (48)
Free Base

>  <CAS> (48)
1143532-39-1

>  <URL> (48)
http://www.selleckchem.com/products/azd5363.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12282214042D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.3047    2.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (49)
2499

>  <Formula> (49)
C11H10N2O2S

>  <MolWeight> (49)
234.2743

>  <Cat> (49)
S7914

>  <Name> (49)
Isoxazole 9 (ISX-9)

>  <Synonyms> (49)
N/A

>  <Target> (49)
Others

>  <Form> (49)
Free Base

>  <CAS> (49)
832115-62-5

>  <URL> (49)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12282214042D

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2592

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C17H13N5

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287.31862

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S7223

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RepSox

>  <Synonyms> (50)
E-616452, SJN 2511

>  <Target> (50)
TGF-beta/Smad

>  <Form> (50)
Free Base

>  <CAS> (50)
446859-33-2

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

$$$$
Ro 31-8220 mesylate.cdx
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>  <Mol_ID> (51)
2603

>  <Formula> (51)
C26H27N5O5S2

>  <MolWeight> (51)
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>  <Cat> (51)
S7207

>  <Name> (51)
Ro 31-8220 Mesylate

>  <Synonyms> (51)
Bisindolylmaleimide IX Mesylate

>  <Target> (51)
PKC

>  <Form> (51)
Mesylate

>  <CAS> (51)
138489-18-6

>  <URL> (51)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12282214042D

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>  <Mol_ID> (52)
2613

>  <Formula> (52)
C24H27Cl2N5O

>  <MolWeight> (52)
472.41008

>  <Cat> (52)
S7306

>  <Name> (52)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (52)
BML-275,Compound C

>  <Target> (52)
AMPK

>  <Form> (52)
Dihydrochloride

>  <CAS> (52)
1219168-18-9

>  <URL> (52)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
LM-3151 K 02288.cdx
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>  <Mol_ID> (53)
2713

>  <Formula> (53)
C20H20N2O4

>  <MolWeight> (53)
352.3838

>  <Cat> (53)
S7359

>  <Name> (53)
K02288

>  <Synonyms> (53)
N/A

>  <Target> (53)
TGF-beta/Smad

>  <Form> (53)
Free Base

>  <CAS> (53)
1431985-92-0

>  <URL> (53)
http://www.selleckchem.com/products/k02288.html

$$$$
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M  END
>  <Mol_ID> (54)
2734

>  <Formula> (54)
C25H23ClN6

>  <MolWeight> (54)
442.94332

>  <Cat> (54)
S7507

>  <Name> (54)
LDN193189 HCl

>  <Synonyms> (54)
N/A

>  <Target> (54)
TGF-beta/Smad

>  <Form> (54)
Hydrochloride

>  <CAS> (54)
1062368-62-0

>  <URL> (54)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
ML347.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (55)
2748

>  <Formula> (55)
C22H16N4O

>  <MolWeight> (55)
352.38864

>  <Cat> (55)
S7148

>  <Name> (55)
ML347

>  <Synonyms> (55)
N/A

>  <Target> (55)
TGF-beta/Smad

>  <Form> (55)
Free Base

>  <CAS> (55)
1062368-49-3

>  <URL> (55)
http://www.selleckchem.com/products/ml347.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (56)
2751

>  <Formula> (56)
C17H22Cl2N2O3S

>  <MolWeight> (56)
405.33918

>  <Cat> (56)
S7333

>  <Name> (56)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (56)
N/A

>  <Target> (56)
Rho

>  <Form> (56)
Free Base

>  <CAS> (56)
No

>  <URL> (56)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
DMH1.cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (57)
2752

>  <Formula> (57)
C24H20N4O

>  <MolWeight> (57)
380.4418

>  <Cat> (57)
S7146

>  <Name> (57)
DMH1

>  <Synonyms> (57)
N/A

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

>  <Form> (57)
Free Base

>  <CAS> (57)
1206711-16-1

>  <URL> (57)
http://www.selleckchem.com/products/dmh1.html

$$$$
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csChFnd80/12282214042D

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M  END
>  <Mol_ID> (58)
2753

>  <Formula> (58)
C25H22N6

>  <MolWeight> (58)
406.48238

>  <Cat> (58)
S7147

>  <Name> (58)
LDN-212854

>  <Synonyms> (58)
BMP Inhibitor III

>  <Target> (58)
TGF-beta/Smad

>  <Form> (58)
Free Base

>  <CAS> (58)
1432597-26-6

>  <URL> (58)
http://www.selleckchem.com/products/ldn-212854.html

$$$$
GNF-5.cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (59)
2768

>  <Formula> (59)
C20H17F3N4O3

>  <MolWeight> (59)
418.3691896

>  <Cat> (59)
S7526

>  <Name> (59)
GNF-5

>  <Synonyms> (59)
N/A

>  <Target> (59)
Bcr-Abl

>  <Form> (59)
Free Base

>  <CAS> (59)
778277-15-9

>  <URL> (59)
http://www.selleckchem.com/products/gnf-5.html

$$$$
PD173955 .cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (60)
2820

>  <Formula> (60)
C21H18Cl2N4OS

>  <MolWeight> (60)
445.36482

>  <Cat> (60)
S7269

>  <Name> (60)
PD173955

>  <Synonyms> (60)
N/A 

>  <Target> (60)
Bcr-Abl

>  <Form> (60)
Free Base

>  <CAS> (60)
260415-63-2

>  <URL> (60)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/12282214042D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (61)
2824

>  <Formula> (61)
C16H21ClIN3O4S

>  <MolWeight> (61)
513.77811

>  <Cat> (61)
S7332

>  <Name> (61)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (61)
N/A

>  <Target> (61)
Rho

>  <Form> (61)
Free Base

>  <CAS> (61)
1469337-91-4

>  <URL> (61)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
6H05.cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (62)
2844

>  <Formula> (62)
C22H31ClF3N3O4S3

>  <MolWeight> (62)
590.1424496

>  <Cat> (62)
S7330

>  <Name> (62)
6H05

>  <Synonyms> (62)
N/A

>  <Target> (62)
Rho

>  <Form> (62)
Free Base

>  <CAS> (62)
No

>  <URL> (62)
http://www.selleckchem.com/products/6h05.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/12282214042D

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K-Ras(G12C) inhibitor 12

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Rho

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1469337-95-8

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http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

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1229582-33-5

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1352608-82-2

>  <URL> (65)
http://www.selleckchem.com/products/ew-7197.html

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$$$$
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162520-00-5

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

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M  END
>  <Mol_ID> (79)
3175

>  <Formula> (79)
C15H11ClF3N5O4S

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>  <Cat> (79)
S8303

>  <Name> (79)
Kobe0065

>  <Synonyms> (79)
N/A

>  <Target> (79)
Rho

>  <Form> (79)
Free Base

>  <CAS> (79)
436133-68-5

>  <URL> (79)
http://www.selleckchem.com/products/kobe0065.html

$$$$
LY333531.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (80)
3212

>  <Formula> (80)
C28H29ClN4O3

>  <MolWeight> (80)
505.00786

>  <Cat> (80)
S7663

>  <Name> (80)
LY333531 HCl

>  <Synonyms> (80)
Ruboxistaurin

>  <Target> (80)
PKC

>  <Form> (80)
hydrochloride

>  <CAS> (80)
169939-93-9

>  <URL> (80)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (81)
3215

>  <Formula> (81)
C28H28ClN3O3

>  <MolWeight> (81)
489.99322

>  <Cat> (81)
S7959

>  <Name> (81)
SIS3 HCl

>  <Synonyms> (81)
N/A

>  <Target> (81)
TGF-beta/Smad

>  <Form> (81)
hydrochloride

>  <CAS> (81)
521984-48-5

>  <URL> (81)
http://www.selleckchem.com/products/sis3.html

$$$$
Alantolactone.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (82)
3254

>  <Formula> (82)
C15H20O2

>  <MolWeight> (82)
232.3181

>  <Cat> (82)
S8318

>  <Name> (82)
Alantolactone

>  <Synonyms> (82)
helenin, helenine, Eupatal

>  <Target> (82)
Others

>  <Form> (82)
Free Base

>  <CAS> (82)
546-43-0

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

$$$$
GSK269962.cdx
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 10 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
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 37  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (83)
3266

>  <Formula> (83)
C29H31ClN8O5

>  <MolWeight> (83)
607.06004

>  <Cat> (83)
S7687

>  <Name> (83)
GSK269962 HCl

>  <Synonyms> (83)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (83)
ROCK

>  <Form> (83)
hydrochloride

>  <CAS> (83)
850664-21-0(free base)

>  <URL> (83)
http://www.selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/12282214042D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2102    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   10.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    4.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (84)
3282

>  <Formula> (84)
C15H18ClIN2O2S

>  <MolWeight> (84)
452.73809

>  <Cat> (84)
S8388

>  <Name> (84)
ML-7 HCl

>  <Synonyms> (84)
N/A

>  <Target> (84)
Others

>  <Form> (84)
hydrochloride

>  <CAS> (84)
110448-33-4

>  <URL> (84)
http://www.selleckchem.com/products/ml-7.html

$$$$
Y-39983 HCl.cdx
csChFnd80/12282214042D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2085    1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  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  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (85)
3293

>  <Formula> (85)
C16H18Cl2N4O

>  <MolWeight> (85)
353.24632

>  <Cat> (85)
S7935

>  <Name> (85)
Y-39983 HCl

>  <Synonyms> (85)
Y-33075 HCl

>  <Target> (85)
ROCK

>  <Form> (85)
dihydrochloride

>  <CAS> (85)
173897-44-4

>  <URL> (85)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12282214042D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    6.4569    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
  2  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  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (86)
3297

>  <Formula> (86)
C21H20N2O3S

>  <MolWeight> (86)
380.4601

>  <Cat> (86)
S8448

>  <Name> (86)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (86)
N/A

>  <Target> (86)
ROCK

>  <Form> (86)
Free Base

>  <CAS> (86)
557782-81-7

>  <URL> (86)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/12282214042D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.8000    7.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9961    4.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    0.3646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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 21  1  0  0  0  0
 21 15  1  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
A   23
xH2O
M  END
>  <Mol_ID> (87)
3349

>  <Formula> (87)
C14H18ClN3O3RS

>  <MolWeight> (87)
343.82902

>  <Cat> (87)
S8208

>  <Name> (87)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (87)
N/A

>  <Target> (87)
ROCK

>  <Form> (87)
hydrochloride

>  <CAS> (87)
155558-32-0 (HCl salt)

>  <URL> (87)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
GSK180736A.cdx
csChFnd80/12282214042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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ROCK

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817194-38-0

>  <URL> (88)
http://www.selleckchem.com/products/gsk180736a.html

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csChFnd80/12282214042D

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3382

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C22H29ClN4O3

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ARS-853 (ARS853)

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N/A

>  <Target> (89)
K-Ras(G12C)

>  <Form> (89)
free base

>  <CAS> (89)
1629268-00-3

>  <URL> (89)
http://www.selleckchem.com/products/ars-853.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/12282214042D

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>  <Mol_ID> (90)
3634

>  <Formula> (90)
C20H18ClF2N5O3

>  <MolWeight> (90)
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S8555

>  <Name> (90)
Asciminib (ABL001)

>  <Synonyms> (90)
N/A

>  <Target> (90)
Bcr-Abl

>  <Form> (90)
free base

>  <CAS> (90)
1492952-76-7

>  <URL> (90)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/12282214042D

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3867

>  <Formula> (91)
C29H36O15

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>  <Cat> (91)
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>  <Name> (91)
Verbascoside

>  <Synonyms> (91)
Acteoside, Kusaginin

>  <Target> (91)
Immunology & Inflammation related

>  <Form> (91)
free base

>  <CAS> (91)
61276-17-3

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

$$$$
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csChFnd80/12282214042D

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    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    4.8997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7619    7.6998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9744    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3331    0.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7024    0.4164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4024    1.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4657    2.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1867    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7948    1.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3135    4.2145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 37  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 37  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 38  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (92)
3963

>  <Formula> (92)
C28H23ClF3N7O

>  <MolWeight> (92)
565.9767296

>  <Cat> (92)
S5205

>  <Name> (92)
Nilotinib hydrochloride

>  <Synonyms> (92)
AMN-107 HCl

>  <Target> (92)
Bcr-Abl

>  <Form> (92)
hydrochloride 

>  <CAS> (92)
923288-95-3

>  <URL> (92)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S9407 Angoroside C.cdx
csChFnd80/12282214042D

 55 59  0  0  0  0  0  0  0  0999 V2000
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    7.2478    3.5217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.5577    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3935    1.4245    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7503    7.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9419    8.4545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9419    9.8567    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7238   10.5600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6315    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.6149    5.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8273    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8273    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    1.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0398    4.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2522    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5378    5.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7503    6.3665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543   10.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    9.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5232    8.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1543    7.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  1  1  0  0  0  0
  4  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
  5 16  1  6  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 24 25  2  0  0  0  0
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 26 20  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
  3 29  1  1  0  0  0
  6 30  1  6  0  0  0
 30 29  1  0  0  0  0
  8 31  1  6  0  0  0
  9 32  1  0  0  0  0
 33  6  1  0  0  0  0
 32 33  1  0  0  0  0
  9 34  1  6  0  0  0
  7 35  1  1  0  0  0
  2 36  1  6  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 43  2  0  0  0  0
 45 46  1  0  0  0  0
 46 40  2  0  0  0  0
 47 42  1  0  0  0  0
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 49 37  2  0  0  0  0
 10 50  1  1  0  0  0
  1 50  1  1  0  0  0
 13 51  1  1  0  0  0
 52 10  1  0  0  0  0
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 12 54  1  6  0  0  0
 11 55  1  6  0  0  0
M  END
>  <Mol_ID> (93)
4078

>  <Formula> (93)
C36H48O19

>  <MolWeight> (93)
784.75492

>  <Cat> (93)
S9407

>  <Name> (93)
Angoroside C

>  <Form> (93)
free base

>  <CAS> (93)
115909-22-3

$$$$

csChFnd80/12282214042D

 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
    4.1374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7374    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    3.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3048    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5700    0.8229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8374    5.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2297    5.9380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2680    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9018    2.7765    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  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> (94)
4191

>  <Formula> (94)
C14H11ClN4S2

>  <MolWeight> (94)
334.84694

>  <Cat> (94)
S8700

>  <Name> (94)
TP0427736 HCl

>  <Synonyms> (94)
N/A

>  <Target> (94)
ALK

>  <Form> (94)
hydrochloride

>  <CAS> (94)
864374-00-5

>  <URL> (94)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/12282214042D

 43 46  0  0  0  0  0  0  0  0999 V2000
    3.6407   11.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.8796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    5.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359    4.7771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2737    5.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    4.7738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    7.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    7.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    6.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3328    7.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5414    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Name> (95)
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>  <Form> (95)
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>  <CAS> (95)
78281-02-4

$$$$

csChFnd80/12282214042D

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>  <Mol_ID> (96)
4282

>  <Formula> (96)
C20H28O5

>  <MolWeight> (96)
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>  <Cat> (96)
S9101

>  <Name> (96)
Ingenol

>  <Form> (96)
free base

>  <CAS> (96)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (97)
4315

>  <Formula> (97)
C37H40N2O6

>  <MolWeight> (97)
608.7233

>  <Cat> (97)
S9141

>  <Name> (97)
Berbamine

>  <Form> (97)
free base

>  <CAS> (97)
478-61-5

$$$$
S9288 Casticin.cdx
csChFnd80/12282214042D

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>  <Mol_ID> (98)
4424

>  <Formula> (98)
C19H18O8

>  <MolWeight> (98)
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>  <Cat> (98)
S9288

>  <Name> (98)
Casticin

>  <Form> (98)
free base

>  <CAS> (98)
479-91-4

$$$$
S9309 Micheliolide.cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (99)
4438

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C15H20O3

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S9309

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Micheliolide

>  <Form> (99)
free base

>  <CAS> (99)
68370-47-8

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/12282214042D

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M  END
>  <Mol_ID> (100)
4599

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C22H27Cl2N7O2S

>  <MolWeight> (100)
524.46648

>  <Cat> (100)
S5254

>  <Name> (100)
Dasatinib hydrochloride

>  <Synonyms> (100)
BMS 354825 hydrochloride

>  <Target> (100)
Abl/Src

>  <Form> (100)
hydrochloride 

>  <CAS> (100)
854001-07-3

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

$$$$

csChFnd80/12282214042D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (101)
4788

>  <Formula> (101)
C24H29N5O3

>  <MolWeight> (101)
435.51876

>  <Cat> (101)
S8772

>  <Name> (101)
LY 3200882 

>  <Synonyms> (101)
N/A

>  <Target> (101)
TGF-beta/Smad

>  <Form> (101)
Free Base

>  <CAS> (101)
1898283-02-7

>  <URL> (101)
http://www.selleckchem.com/products/ly3200882.html

$$$$

csChFnd80/12282214042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (102)
5145

>  <Formula> (102)
C21H19ClNO4+

>  <MolWeight> (102)
384.83286

>  <Cat> (102)
S1292

>  <Name> (102)
Chelerythrine Chloride

>  <Synonyms> (102)
N/A

>  <Target> (102)
PKC

>  <Form> (102)
Chloride

>  <CAS> (102)
3895-92-9

>  <URL> (102)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/12282214042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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5222

>  <Formula> (103)
C23H19NO3

>  <MolWeight> (103)
357.40186

>  <Cat> (103)
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>  <Name> (103)
TAS-301

>  <Synonyms> (103)
N/A

>  <Target> (103)
Others

>  <Form> (103)
Free Base

>  <CAS> (103)
193620-69-8

>  <URL> (103)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/12282214042D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.7585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 10 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 13 16  1  0  0  0  0
  6 11  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (104)
6569

>  <Formula> (104)
C16H14N2O2S2

>  <MolWeight> (104)
330.42456

>  <Cat> (104)
S6536

>  <Name> (104)
TTP 22

>  <Synonyms> (104)
N/A

>  <Target> (104)
Casein Kinase

>  <Form> (104)
free base

>  <CAS> (104)
329907-28-0

>  <URL> (104)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/12282214042D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
  2 32  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
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  6 27  1  0  0  0  0
  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  2  0  0  0  0
  9 23  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
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 12 25  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
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 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (105)
6591

>  <Formula> (105)
C20H25F3N6O3

>  <MolWeight> (105)
454.4461096

>  <Cat> (105)
S6577

>  <Name> (105)
PKC-theta inhibitor

>  <Synonyms> (105)
N/A

>  <Target> (105)
PKC

>  <Form> (105)
free base

>  <CAS> (105)
736048-65-0

>  <URL> (105)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/12282214042D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 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
 23 24  2  0  0  0  0
 22 24  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 25  1  0  0  0  0
 15 18  1  0  0  0  0
 12 15  1  0  0  0  0
 13 26  1  0  0  0  0
 11 27  1  0  0  0  0
  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
>  <Mol_ID> (106)
6673

>  <Formula> (106)
C18H13ClF2N6O

>  <MolWeight> (106)
402.7852264

>  <Cat> (106)
S6636

>  <Name> (106)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (106)
N/A

>  <Target> (106)
ROCK

>  <Form> (106)
Free Base

>  <CAS> (106)
867017-68-3

>  <URL> (106)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/12282214042D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (107)
6685

>  <Formula> (107)
C27H29NO3

>  <MolWeight> (107)
415.52406

>  <Cat> (107)
S6713

>  <Name> (107)
ITD-1

>  <Synonyms> (107)
N/A

>  <Target> (107)
TGF-beta/Smad

>  <Form> (107)
Free Base

>  <CAS> (107)
1099644-42-4

>  <URL> (107)
http://www.selleck.cn/products/itd-1.html

$$$$

csChFnd80/12282214042D

 34 37  0  0  0  0  0  0  0  0999 V2000
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6692

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C22H23F3N8O

>  <MolWeight> (108)
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>  <Cat> (108)
S6723

>  <Name> (108)
LXS-196

>  <Synonyms> (108)
IDE-196

>  <Target> (108)
PKC

>  <Form> (108)
Free Base

>  <CAS> (108)
1874276-76-2

>  <URL> (108)
http://www.selleck.cn/products/lxs-196.html

$$$$

csChFnd80/12282214042D

 39 43  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  2  7  2  0  0  0  0
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M  END
>  <Mol_ID> (109)
6737

>  <Formula> (109)
C29H30F3N5O2

>  <MolWeight> (109)
537.5760096

>  <Cat> (109)
S8868

>  <Name> (109)
NG25

>  <Synonyms> (109)
N/A

>  <Target> (109)
TGF-beta/Smad

>  <Form> (109)
Free Base

>  <CAS> (109)
1315355-93-1

>  <URL> (109)
http://www.selleck.cn/products/ng25.html

$$$$

csChFnd80/12282214042D

 21 20  0  0  0  0  0  0  0  0999 V2000
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  4  5  2  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
6756

>  <Formula> (110)
C18H37NO2

>  <MolWeight> (110)
299.49188

>  <Cat> (110)
S2210

>  <Name> (110)
Sphingosine

>  <Synonyms> (110)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (110)
Others

>  <Form> (110)
Free Base

>  <CAS> (110)
123-78-4

>  <URL> (110)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/12282214042D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 19 23  1  0  0  0  0
 22  5  1  0  0  0  0
M  END
>  <Mol_ID> (111)
6758

>  <Formula> (111)
C31H34N4O2

>  <MolWeight> (111)
494.62726

>  <Cat> (111)
S2234

>  <Name> (111)
BIBF-0775

>  <Synonyms> (111)
N/A

>  <Target> (111)
TGF-beta/Smad

>  <Form> (111)
Free Base

>  <CAS> (111)
334951-90-5

>  <URL> (111)
http://www.selleck.cn/products/bibf-0775.html

$$$$

csChFnd80/12282214042D

 24 26  0  0  0  0  0  0  0  0999 V2000
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630124-46-8

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1922098-69-8

>  <URL> (114)
http://www.selleck.cn/products/ccg-222740.html

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221243-82-9

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M  END
>  <Mol_ID> (116)
6865

>  <Formula> (116)
C20H13FN4O2

>  <MolWeight> (116)
360.3412232

>  <Cat> (116)
S5183

>  <Name> (116)
PD 169316

>  <Synonyms> (116)
N/A

>  <Target> (116)
p38 MAPK

>  <Form> (116)
Free Base

>  <CAS> (116)
152121-53-4

>  <URL> (116)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12282214042D

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M  END
>  <Mol_ID> (117)
6892

>  <Formula> (117)
C20H13F2N3

>  <MolWeight> (117)
333.3341264

>  <Cat> (117)
S6807

>  <Name> (117)
TA-02

>  <Synonyms> (117)
N/A

>  <Target> (117)
p38 MAPK

>  <Form> (117)
Free Base

>  <CAS> (117)
1784751-19-4

>  <URL> (117)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12282214042D

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M  END
>  <Mol_ID> (118)
6908

>  <Formula> (118)
C43H46F3N7O7S

>  <MolWeight> (118)
861.9282496

>  <Cat> (118)
S8888

>  <Name> (118)
GMB-475

>  <Synonyms> (118)
N/A

>  <Target> (118)
PROTAC

>  <Form> (118)
Free Base

>  <CAS> (118)
no cas

>  <URL> (118)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/12282214042D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
6944

>  <Formula> (119)
C14H10BrNOS

>  <MolWeight> (119)
320.2043

>  <Cat> (119)
S0523

>  <Name> (119)
SB?4

>  <Synonyms> (119)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (119)
TGF-beta/Smad

>  <Form> (119)
Free Base

>  <CAS> (119)
100874-08-6

>  <URL> (119)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12282214042D

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    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4579    5.3578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7893    5.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0804    7.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0400    8.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7085    7.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8297    4.8537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 17 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 17  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (120)
6975

>  <Formula> (120)
C25H19N5S

>  <MolWeight> (120)
421.51686

>  <Cat> (120)
S7692

>  <Name> (120)
A-83-01

>  <Synonyms> (120)
N/A

>  <Target> (120)
ALK

>  <Form> (120)
Free Base

>  <CAS> (120)
909910-43-6

>  <URL> (120)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/12282214042D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8421    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8795    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0218    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4164    4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8945    3.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2731    3.2204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0734    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3867    4.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2085    5.7579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4080    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
  3  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 15 17  2  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 24  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 29 33  1  0  0  0  0
 27 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 28 35  1  0  0  0  0
 25 26  1  0  0  0  0
 19 25  1  0  0  0  0
  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (121)
6978

>  <Formula> (121)
C30H28O8

>  <MolWeight> (121)
516.53852

>  <Cat> (121)
S7862

>  <Name> (121)
Rottlerin

>  <Synonyms> (121)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (121)
PKC

>  <Form> (121)
Free Base

>  <CAS> (121)
82-08-6

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

$$$$

csChFnd80/12282214042D

 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
    2.1073    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    3.3167    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
    3.5122    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    4.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5931    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0222    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4471    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8719    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0844    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2968    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7217    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1465    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3590    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5714    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7838    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2087    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9963    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  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
 12 14  2  0  0  0  0
 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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (122)
7052

>  <Formula> (122)
C23H40N2O3

>  <MolWeight> (122)
392.5753

>  <Cat> (122)
S0752

>  <Name> (122)
AUDA

>  <Target> (122)
Epoxide Hydrolase

>  <Form> (122)
free base

>  <CAS> (122)
479413-70-2

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

$$$$

csChFnd80/12282214042D

 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
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    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (123)
7084

>  <Formula> (123)
C7H14O6

>  <MolWeight> (123)
194.18246

>  <Cat> (123)
S3223

>  <Name> (123)
L-Quebrachitol

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

>  <Form> (123)
free base

>  <CAS> (123)
642-38-6

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

$$$$

csChFnd80/12282214042D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    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  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  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
  8 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (124)
7095

>  <Formula> (124)
C18H20O5

>  <MolWeight> (124)
316.3484

>  <Cat> (124)
S3242

>  <Name> (124)
Loureirin B

>  <Target> (124)
PAI-1

>  <Form> (124)
free base

>  <CAS> (124)
119425-90-0

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

$$$$

csChFnd80/12282214042D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    0.0000    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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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
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 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (125)
7121

>  <Formula> (125)
C30H16O8

>  <MolWeight> (125)
504.44324

>  <Cat> (125)
S3273

>  <Name> (125)
Hypericin

>  <Target> (125)
MAO

>  <Form> (125)
free base

>  <CAS> (125)
548-04-9

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

$$$$

csChFnd80/12282214042D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (126)
7135

>  <Formula> (126)
C19H12O7

>  <MolWeight> (126)
352.29438

>  <Cat> (126)
S3289

>  <Name> (126)
Daphnoretin

>  <Target> (126)
PKC

>  <Form> (126)
free base

>  <CAS> (126)
2034-69-7

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

$$$$

csChFnd80/12282214042D

 35 42  0  0  0  0  0  0  0  0999 V2000
    4.3424    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3424    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7673    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (127)
7248

>  <Formula> (127)
C28H26N4O3

>  <MolWeight> (127)
466.53104

>  <Cat> (127)
S1421

>  <Name> (127)
Staurosporine

>  <Synonyms> (127)
CGP 41251

>  <Target> (127)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (127)
Free Base

>  <CAS> (127)
62996-74-1

>  <URL> (127)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/12282214042D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0930    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0941    2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8739    2.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6678    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6689    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    2.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  1  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (128)
7304

>  <Formula> (128)
C19H20O5

>  <MolWeight> (128)
328.3591

>  <Cat> (128)
S9264

>  <Name> (128)
Decursin

>  <Synonyms> (128)
N/A

>  <Target> (128)
Immunology & Inflammation related

>  <Form> (128)
Free Base

>  <CAS> (128)
5928-25-6

>  <URL> (128)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/12282214042D

 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
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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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    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
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    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (129)
7349

>  <Formula> (129)
C16H15FN2O4

>  <MolWeight> (129)
318.2997032

>  <Cat> (129)
S0153

>  <Name> (129)
SJ000291942

>  <Synonyms> (129)
N/A

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

>  <Form> (129)
Free Base

>  <CAS> (129)
425613-09-8

>  <URL> (129)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12282214042D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    8.9478    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3726    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7975    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0099    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0099    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7975    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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  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
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (130)
7375

>  <Formula> (130)
C17H16FN5

>  <MolWeight> (130)
309.3408432

>  <Cat> (130)
S0373

>  <Name> (130)
CZC-8004

>  <Synonyms> (130)
CZC-00008004

>  <Target> (130)
Bcr-Abl

>  <Form> (130)
Free Base

>  <CAS> (130)
916603-07-1

>  <URL> (130)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/12282214042D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (131)
7396

>  <Formula> (131)
C16H12ClNO

>  <MolWeight> (131)
269.72558

>  <Cat> (131)
S0780

>  <Name> (131)
Oncrasin-1

>  <Synonyms> (131)
N/A

>  <Target> (131)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (131)
Free Base

>  <CAS> (131)
75629-57-1

>  <URL> (131)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/12282214042D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
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  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (132)
7422

>  <Formula> (132)
C22H31N9O

>  <MolWeight> (132)
437.54124

>  <Cat> (132)
S1272

>  <Name> (132)
XL228

>  <Synonyms> (132)
N/A

>  <Target> (132)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (132)
Free Base

>  <CAS> (132)
898280-07-4

>  <URL> (132)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/12282214042D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
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 15 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (133)
7435

>  <Formula> (133)
C13H17Cl2N3O2S

>  <MolWeight> (133)
350.26398

>  <Cat> (133)
S2964

>  <Name> (133)
HA-100 dihydrochloride

>  <Synonyms> (133)
N/A

>  <Target> (133)
PKG, PKA, PKC, MLCK

>  <Form> (133)
Dihydrochlori

>  <CAS> (133)
210297-47-5

>  <URL> (133)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/12282214042D

 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (134)
7868

>  <Formula> (134)
C28H25ClF3N7O2

>  <MolWeight> (134)
583.9920096

>  <Cat> (134)
S4895

>  <Name> (134)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (134)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (134)
Bcr-Abl

>  <Form> (134)
Hydrochloride monohydrate

>  <CAS> (134)
923288-90-8

>  <URL> (134)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/12282214042D

 40 45  0  0  0  0  0  0  0  0999 V2000
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 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
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 26  4  1  0  0  0  0
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 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
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 25  5  1  0  0  0  0
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 10 24  1  0  0  0  0
 21 32  2  0  0  0  0
 15  3  2  0  0  0  0
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 12  6  1  0  0  0  0
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 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
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 31 15  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
7909

>  <Formula> (135)
C30H26O10

>  <MolWeight> (135)
546.52144

>  <Cat> (135)
E0010

>  <Name> (135)
Hypocrellin A

>  <Synonyms> (135)
N/A

>  <Target> (135)
PKC

>  <Form> (135)
Free Base

>  <CAS> (135)
77029-83-5

>  <URL> (135)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/12282214042D

 60 68  0  0  0  0  0  0  0  0999 V2000
    5.0631   13.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (136)
7915

>  <Formula> (136)
C44H70O16

>  <MolWeight> (136)
855.017

>  <Cat> (136)
E0022

>  <Name> (136)
Ophiopogonin D

>  <Synonyms> (136)
OJV-VI, Deacetylophiopogonin C

>  <Target> (136)
AMPK

>  <Form> (136)
Free Base

>  <CAS> (136)
945619-74-9

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

$$$$

csChFnd80/12282214042D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.8229    4.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (137)
8196

>  <Formula> (137)
C21H18NO4+

>  <MolWeight> (137)
348.37192

>  <Cat> (137)
E0124

>  <Name> (137)
Chelerythrine

>  <Synonyms> (137)
Toddaline, Broussonpapyrine

>  <Target> (137)
PKC

>  <Form> (137)
Free Base

>  <CAS> (137)
34316-15-9

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

$$$$

csChFnd80/12282214042D

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.4868    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2050    6.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   35
(E)
M  END
>  <Mol_ID> (138)
8368

>  <Formula> (138)
C28H27N3O3R

>  <MolWeight> (138)
453.53228

>  <Cat> (138)
S3552

>  <Name> (138)
SIS3

>  <Synonyms> (138)
N/A

>  <Target> (138)
TGF-beta/Smad

>  <Form> (138)
free base

>  <CAS> (138)
1009104-85-1

>  <URL> (138)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/12282214042D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4250    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  2  0  0  0  0
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M  END
>  <Mol_ID> (139)
8493

>  <Formula> (139)
C25H27NO

>  <MolWeight> (139)
357.48798

>  <Cat> (139)
E0786

>  <Name> (139)
N-Desmethyltamoxifen

>  <Target> (139)
PKC

>  <Form> (139)
free base

>  <CAS> (139)
31750-48-8

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

$$$$

csChFnd80/12282214042D

 28 29  0  0  0  0  0  0  0  0999 V2000
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 11 12  2  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (140)
8602

>  <Formula> (140)
C25H28ClNO

>  <MolWeight> (140)
393.94892

>  <Cat> (140)
E2368

>  <Name> (140)
N-Desmethyltamoxifen hydrochloride

>  <Synonyms> (140)
N-Desmethyl tamoxifen HCl

>  <Form> (140)
hydrochloride

>  <CAS> (140)
15917-65-4

>  <URL> (140)
http://www.selleckchem.com/products/n-desmethyltamoxifen-hydrochloride.html

$$$$

csChFnd80/12282214042D

 32 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (141)
8703

>  <Formula> (141)
C21H42N6O5

>  <MolWeight> (141)
458.59538

>  <Cat> (141)
P1164

>  <Name> (141)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Form> (141)
free base

>  <CAS> (141)
283609-79-0

>  <URL> (141)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (142)
8706

>  <Cat> (142)
P1167

>  <Name> (142)
pm26TGF-¦Â1 peptide (TFA)

>  <Form> (142)
free base

>  <URL> (142)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/12282214042D

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M  END
>  <Mol_ID> (143)
8709

>  <Formula> (143)
C68H109N17O22S2

>  <MolWeight> (143)
1580.82376

>  <Cat> (143)
P1218

>  <Name> (143)
Disitertide(P144)

>  <Form> (143)
free base

>  <CAS> (143)
272105-42-7

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

$$$$

csChFnd80/12282214042D

 48 54  0  0  0  0  0  0  0  0999 V2000
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 22  9  1  0  0  0  0
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 16 31  1  1  0  0  0
 18 37  1  0  0  0  0
 22 24  1  0  0  0  0
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 30 35  1  0  0  0  0
 31 32  1  0  0  0  0
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 43 44  1  0  0  0  0
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 46 47  2  0  0  0  0
M  END
>  <Mol_ID> (144)
8762

>  <Formula> (144)
C33H45NO10

>  <MolWeight> (144)
615.7111

>  <Cat> (144)
E0201

>  <Name> (144)
Hypaconitine

>  <Synonyms> (144)
Deoxymesaconitine

>  <Target> (144)
Others

>  <Form> (144)
free base

>  <CAS> (144)
6900-87-4

>  <URL> (144)
http://www.selleckchem.com/products/hypaconitine.html

$$$$

csChFnd80/12282214042D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (145)
8786

>  <Formula> (145)
C20H18FN5O

>  <MolWeight> (145)
363.3882232

>  <Cat> (145)
S7710

>  <Name> (145)
R-268712

>  <Target> (145)
TGF-beta/Smad

>  <Form> (145)
Free base

>  <CAS> (145)
879487-87-3

>  <URL> (145)
http://www.selleckchem.com/products/r-268712.html

$$$$

csChFnd80/12282214042D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
8837

>  <Formula> (146)
C22H20ClF3N4O3S

>  <MolWeight> (146)
512.9324096

>  <Cat> (146)
S0345

>  <Name> (146)
Smurf1-IN-A01

>  <Synonyms> (146)
A01, SMURF1 inhibitor A01

>  <Target> (146)
E3 Ligase

>  <Form> (146)
Free base

>  <CAS> (146)
1007647-73-5

>  <URL> (146)
http://www.selleckchem.com/products/smurf1-in-a01.html

$$$$

csChFnd80/12282214042D

 51 55  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (147)
8989

>  <Formula> (147)
C34H36F3NO13

>  <MolWeight> (147)
723.6437496

>  <Cat> (147)
S9522

>  <Name> (147)
Valrubicin

>  <Synonyms> (147)
N/A

>  <Target> (147)
PKC

>  <Form> (147)
Free base

>  <CAS> (147)
56124-62-0

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

$$$$

csChFnd80/12282214042D

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M  END
>  <Mol_ID> (148)
9088

>  <Formula> (148)
C28H23N3O2S

>  <MolWeight> (148)
465.56612

>  <Cat> (148)
E2394

>  <Name> (148)
TGF¦ÂRI-IN-3

>  <Target> (148)
TGF-beta/Smad

>  <Form> (148)
Free base

>  <CAS> (148)
2763602-67-9

>  <URL> (148)
http://www.selleckchem.com/products/tgfbetari-in-3.html

$$$$

csChFnd80/12282214042D

 35 37  0  0  0  0  0  0  0  0999 V2000
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A   35
.
M  END
>  <Mol_ID> (149)
9116

>  <Formula> (149)
C26H26N4O4R

>  <MolWeight> (149)
458.50904

>  <Cat> (149)
E2839

>  <Name> (149)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (149)
Ro 31-7549 acetate

>  <Target> (149)
PKC

>  <Form> (149)
Acetate

>  <CAS> (149)
138516-31-1

>  <URL> (149)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/12282214042D

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M  END
>  <Mol_ID> (150)
9201

>  <Formula> (150)
C20H16N4

>  <MolWeight> (150)
312.36784

>  <Cat> (150)
E2807

>  <Name> (150)
WAY-641966

>  <Target> (150)
TGF-¦Â,p38-¦Á

>  <Form> (150)
Free base

>  <CAS> (150)
259870-32-1

>  <URL> (150)
https://www.selleckchem.com/products/way-641966.html

$$$$
