Bosutinib (SKI-606).cdx
csChFnd80/12282213572D

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

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N/A 

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Src

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Free Base

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

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

$$$$
Dasatinib.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (2)
12

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C22H26ClN7O2S

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Dasatinib

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BMS-354825

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Src, Bcr-Abl, c-Kit

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Free Base

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302962-49-8

>  <URL> (2)
http://www.selleckchem.com/products/Dasatinib.html

$$$$
Imatinib Mesylate.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (3)
16

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>  <Name> (3)
Imatinib Mesylate (STI571)

>  <Synonyms> (3)
CGP-57148B, ST-1571 Mesylate

>  <Target> (3)
PDGFR, c-Kit, Bcr-Abl

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Mesylate

>  <CAS> (3)
220127-57-1

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (4)
21

>  <Formula> (4)
C28H22F3N7O

>  <MolWeight> (4)
529.5157896

>  <Cat> (4)
S1033

>  <Name> (4)
Nilotinib (AMN-107)

>  <Synonyms> (4)
Tasigna 

>  <Target> (4)
Bcr-Abl

>  <Form> (4)
Free Base

>  <CAS> (4)
641571-10-0

>  <URL> (4)
http://www.selleckchem.com/products/Nilotinib.html

$$$$
untitled.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (5)
32

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Cat> (5)
S1048

>  <Name> (5)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

>  <CAS> (5)
639089-54-6

>  <URL> (5)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (6)
33

>  <Formula> (6)
C14H23Cl2N3O

>  <MolWeight> (6)
320.25792

>  <Cat> (6)
S1049

>  <Name> (6)
Y-27632 2HCl

>  <Synonyms> (6)
N/A

>  <Target> (6)
ROCK

>  <Form> (6)
Dihydrochloride

>  <CAS> (6)
129830-38-2

>  <URL> (6)
http://www.selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (7)
36

>  <Formula> (7)
C32H29N5O2

>  <MolWeight> (7)
515.60496

>  <Cat> (7)
S1055

>  <Name> (7)
Enzastaurin (LY317615)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
PKC 

>  <Form> (7)
Free Base

>  <CAS> (7)
170364-57-5

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

$$$$
untitled.cdx
csChFnd80/12282213572D

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475488-23-4

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http://www.selleckchem.com/products/NVP-ADW742.html

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827318-97-8

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896466-04-9

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>  <Mol_ID> (16)
352

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C14H18ClN3O2S

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S1573

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Fasudil HCl (HA-1077)

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AT-877 

>  <Target> (16)
ROCK

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
105628-07-7

>  <URL> (16)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
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>  <Mol_ID> (17)
427

>  <Formula> (17)
C30H28FN7O3

>  <MolWeight> (17)
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S2634

>  <Name> (17)
DCC-2036 (Rebastinib)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
Bcr-Abl

>  <Form> (17)
Free Base

>  <CAS> (17)
1020172-07-9

>  <URL> (17)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
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csChFnd80/12282213572D

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551

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C25H23N5O2

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GW788388

>  <Synonyms> (18)
N/A

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

>  <Form> (18)
Free Base

>  <CAS> (18)
452342-67-5

>  <URL> (18)
http://www.selleckchem.com/products/gw788388.html

$$$$
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csChFnd80/12282213572D

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>  <Mol_ID> (19)
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SB-505124

>  <Synonyms> (19)
N/A 

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

>  <Form> (19)
Free Base

>  <CAS> (19)
694433-59-5

>  <URL> (19)
http://www.selleckchem.com/products/sb-505124.html

$$$$
Nocodazole.cdx
csChFnd80/12282213572D

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579

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C14H11N3O3S

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>  <Name> (20)
Nocodazole

>  <Synonyms> (20)
N/A 

>  <Target> (20)
Microtubule Associated

>  <Form> (20)
Free Base

>  <CAS> (20)
31430-18-9

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/12282213572D

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    2.0694    5.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2562    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2424    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
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 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 17  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
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 18  1  0  0  0  0
  4 11  1  0  0  0  0
 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
600

>  <Formula> (21)
C25H22N6O2

>  <MolWeight> (21)
438.48118

>  <Cat> (21)
S2791

>  <Name> (21)
Sotrastaurin (AEB071)

>  <Synonyms> (21)
N/A 

>  <Target> (21)
PKC 

>  <Form> (21)
Free Base

>  <CAS> (21)
425637-18-9

>  <URL> (21)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
Quercetin.cdx
csChFnd80/12282213572D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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
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 20 15  1  0  0  0  0
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 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (22)
623

>  <Formula> (22)
C15H10O7

>  <MolWeight> (22)
302.2357

>  <Cat> (22)
S2391

>  <Name> (22)
Quercetin (Sophoretin)

>  <Synonyms> (22)
Meletin, Quercetine

>  <Target> (22)
PI3K, PKC, Src, Sirtuin

>  <Form> (22)
Free Base

>  <CAS> (22)
117-39-5

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

$$$$
KW2449.cdx
csChFnd80/12282213572D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5035    5.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
652

>  <Formula> (23)
C20H20N4O

>  <MolWeight> (23)
332.399

>  <Cat> (23)
S2158

>  <Name> (23)
KW 2449

>  <Synonyms> (23)
N/A

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

>  <Form> (23)
Free Base

>  <CAS> (23)
1000669-72-6

>  <URL> (23)
http://www.selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/12282213572D

 13 14  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (24)
656

>  <Formula> (24)
C9H6O4

>  <MolWeight> (24)
178.14154

>  <Cat> (24)
S2554

>  <Name> (24)
Daphnetin

>  <Synonyms> (24)
N/A 

>  <Target> (24)
DNA/RNA Synthesis

>  <Form> (24)
Free Base

>  <CAS> (24)
486-35-1

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

$$$$
NVP-BHG712.cdx
csChFnd80/12282213572D

 37 41  0  0  0  0  0  0  0  0999 V2000
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 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 27  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (25)
676

>  <Formula> (25)
C26H20F3N7O

>  <MolWeight> (25)
503.4785096

>  <Cat> (25)
S2202

>  <Name> (25)
NVP-BHG712

>  <Synonyms> (25)
N/A

>  <Target> (25)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (25)
Free Base

>  <CAS> (25)
940310-85-0

>  <URL> (25)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
Hesperetin.cdx
csChFnd80/12282213572D

 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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  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
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 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (26)
728

>  <Formula> (26)
C16H14O6

>  <MolWeight> (26)
302.27876

>  <Cat> (26)
S2308

>  <Name> (26)
Hesperetin

>  <Synonyms> (26)
N/A

>  <Target> (26)
Histamine Receptor

>  <Form> (26)
Free Base

>  <CAS> (26)
520-33-2

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

$$$$
Myricitrin.cdx
csChFnd80/12282213572D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  7  8  1  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
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 15 16  2  0  0  0  0
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 17 18  2  0  0  0  0
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 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
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 29 24  1  0  0  0  0
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 27 32  1  1  0  0  0
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M  END
>  <Mol_ID> (27)
743

>  <Formula> (27)
C21H20O12

>  <MolWeight> (27)
464.3763

>  <Cat> (27)
S2327

>  <Name> (27)
Myricitrin (Myricitrine)

>  <Synonyms> (27)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (27)
PKC

>  <Form> (27)
Free Base

>  <CAS> (27)
17912-87-7

>  <URL> (27)
http://www.selleckchem.com/products/Myricitrin(Myricitrine).html

$$$$
Oxymatrine.cdx
csChFnd80/12282213572D

 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
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 14 15  1  0  0  0  0
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 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> (28)
752

>  <Formula> (28)
C15H24N2O2

>  <MolWeight> (28)
264.36326

>  <Cat> (28)
S2338

>  <Name> (28)
Oxymatrine (Matrine N-oxide)

>  <Synonyms> (28)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (28)
Others

>  <Form> (28)
Free Base

>  <CAS> (28)
16837-52-8 

>  <URL> (28)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

$$$$
Imatinib.cdx
csChFnd80/12282213572D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
786

>  <Formula> (29)
C29H31N7O

>  <MolWeight> (29)
493.60274

>  <Cat> (29)
S2475

>  <Name> (29)
Imatinib (STI571) 

>  <Synonyms> (29)
STI571, Glivec

>  <Form> (29)
Free Base

>  <CAS> (29)
152459-95-5

>  <URL> (29)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$

csChFnd80/12282213572D

 34 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
798

>  <Formula> (30)
C22H30Cl2N4O6

>  <MolWeight> (30)
517.4028

>  <Cat> (30)
S2485

>  <Name> (30)
Mitoxantrone 2HCl

>  <Synonyms> (30)
NSC-301739

>  <Target> (30)
Topoisomerase

>  <Form> (30)
Dihydrochloride

>  <CAS> (30)
70476-82-3

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

$$$$
PP121.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (31)
852

>  <Formula> (31)
C17H17N7

>  <MolWeight> (31)
319.36378

>  <Cat> (31)
S2622

>  <Name> (31)
PP-121

>  <Synonyms> (31)
N/A

>  <Target> (31)
DNA-PK, mTOR, PDGF

>  <Form> (31)
Free Base

>  <CAS> (31)
1092788-83-4

>  <URL> (31)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (32)
855

>  <Formula> (32)
C19H18BrN3O

>  <MolWeight> (32)
384.26972

>  <Cat> (32)
S2243

>  <Name> (32)
Degrasyn (WP1130)

>  <Synonyms> (32)
N/A

>  <Target> (32)
DUB, Bcr-Abl

>  <Form> (32)
Free Base

>  <CAS> (32)
856243-80-6

>  <URL> (32)
http://www.selleckchem.com/products/WP1130.html

$$$$
LY2157299.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (33)
865

>  <Formula> (33)
C22H19N5O

>  <MolWeight> (33)
369.41916

>  <Cat> (33)
S2230

>  <Name> (33)
Galunisertib (LY2157299)

>  <Synonyms> (33)
N/A 

>  <Target> (33)
TGF-beta/Smad

>  <Form> (33)
Free Base

>  <CAS> (33)
700874-72-2

>  <URL> (33)
http://www.selleckchem.com/products/ly2157299.html

$$$$
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csChFnd80/12282213572D

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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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EGFR

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153436-53-4

>  <URL> (35)
http://www.selleckchem.com/products/ag-1478-tyrphostin-ag-1478.html

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1120

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C12H11NO

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Pirfenidone

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TGF-beta/Smad

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Free Base

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53179-13-8

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

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C26H26N4O3

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Go 6983

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N/A

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PKC

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Free Base

>  <CAS> (37)
133053-19-7

>  <URL> (37)
http://www.selleckchem.com/products/go-6983.html

$$$$
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>  <Mol_ID> (38)
1234

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C18H14N4O5S

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Sulfasalazine (Azulfidine)

>  <Synonyms> (38)
Azulfidine, Salazopyrin, Sulphasalazine

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COX,NF-¦ÊB

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599-79-1

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

$$$$
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M  END
>  <Mol_ID> (39)
1238

>  <Formula> (39)
C18H13F3N4O2

>  <MolWeight> (39)
374.3166296

>  <Cat> (39)
S2899

>  <Name> (39)
GNF-2

>  <Synonyms> (39)
N/A

>  <Target> (39)
Bcr-Abl

>  <Form> (39)
Free Base

>  <CAS> (39)
778270-11-4

>  <URL> (39)
http://www.selleckchem.com/products/gnf-2.html

$$$$
NS-187.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (40)
1726

>  <Formula> (40)
C30H31F3N8O

>  <MolWeight> (40)
576.6153496

>  <Cat> (40)
S1369

>  <Name> (40)
Bafetinib (INNO-406)

>  <Synonyms> (40)
NS-187

>  <Target> (40)
Abl,Lyn

>  <Form> (40)
Free Base

>  <CAS> (40)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/12282213572D

 47 51  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (41)
1728

>  <Formula> (41)
C37H42Cl2N2O6

>  <MolWeight> (41)
681.64518

>  <Cat> (41)
S3609

>  <Name> (41)
Berbamine (dihydrochloride)

>  <Synonyms> (41)
N/A

>  <Target> (41)
NF-¦ÊB,bcr/abl

>  <Form> (41)
dihydrochloride

>  <CAS> (41)
6078-17-7

>  <URL> (41)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3616 Asiaticoside.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (42)
1742

>  <Formula> (42)
C48H78O19

>  <MolWeight> (42)
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>  <Cat> (42)
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>  <Name> (42)
Asiaticoside

>  <Synonyms> (42)
Ba 2742, BRN0078195, CCRIS8995, NSC166062, Emdecassol,Madecassol

>  <Target> (42)
Others

>  <Form> (42)
free base

>  <CAS> (42)
16830-15-2

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (43)
1765

>  <Formula> (43)
C11H8O3

>  <MolWeight> (43)
188.17942

>  <Cat> (43)
S3661

>  <Name> (43)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (43)
N/A

>  <Target> (43)
PKC

>  <Form> (43)
free base

>  <CAS> (43)
2348-82-5

>  <URL> (43)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (44)
1867

>  <Formula> (44)
C19H20O5

>  <MolWeight> (44)
328.3591

>  <Cat> (44)
S3819

>  <Name> (44)
Decursinol angelate

>  <Synonyms> (44)
N/A

>  <Target> (44)
PKC

>  <Form> (44)
free base

>  <CAS> (44)
130848-06-5

>  <URL> (44)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
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csChFnd80/12282213572D

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>  <Mol_ID> (45)
1974

>  <Formula> (45)
C26H27N5O2

>  <MolWeight> (45)
441.52488

>  <Cat> (45)
S2704

>  <Name> (45)
LY2109761

>  <Synonyms> (45)
N/A

>  <Target> (45)
TGF-beta/Smad

>  <Form> (45)
Free Base

>  <CAS> (45)
700874-71-1 

>  <URL> (45)
http://www.selleckchem.com/products/ly2109761.html

$$$$
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M  END
>  <Mol_ID> (46)
1978

>  <Formula> (46)
C17H12N4

>  <MolWeight> (46)
272.30398

>  <Cat> (46)
S2805

>  <Name> (46)
LY364947

>  <Synonyms> (46)
N/A

>  <Target> (46)
TGF-beta/Smad

>  <Form> (46)
Free Base

>  <CAS> (46)
396129-53-6

>  <URL> (46)
http://www.selleckchem.com/products/ly364947.html

$$$$
GZD824.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (47)
2018

>  <Formula> (47)
C31H35F3N6O7S2

>  <MolWeight> (47)
724.7708096

>  <Cat> (47)
S7194

>  <Name> (47)
GZD824 Dimesylate 

>  <Synonyms> (47)
N/A

>  <Target> (47)
Bcr-Abl

>  <Form> (47)
Mesylate

>  <CAS> (47)
1421783-64-3

>  <URL> (47)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/12282213572D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 11  7  2  0  0  0  0
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M  END
>  <Mol_ID> (48)
2020

>  <Formula> (48)
C16H14N4O2S

>  <MolWeight> (48)
326.37296

>  <Cat> (48)
S7195

>  <Name> (48)
RKI-1447

>  <Synonyms> (48)
N/A

>  <Target> (48)
ROCK

>  <Form> (48)
Free Base

>  <CAS> (48)
1342278-01-6

>  <URL> (48)
http://www.selleckchem.com/products/rki-1447.html

$$$$
Methyl-Hesperidin.cdx
csChFnd80/12282213572D

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2254

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Methyl-Hesperidin

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free base

>  <CAS> (49)
 11013-97-1

$$$$
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csChFnd80/12282213572D

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>  <Target> (50)
Akt

>  <Form> (50)
Free Base

>  <CAS> (50)
1143532-39-1

>  <URL> (50)
http://www.selleckchem.com/products/azd5363.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/12282213572D

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C11H10N2O2S

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Isoxazole 9 (ISX-9)

>  <Synonyms> (51)
N/A

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
832115-62-5

>  <URL> (51)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
RepSox (E-616452, SJN 2511).cdx
csChFnd80/12282213572D

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2592

>  <Formula> (52)
C17H13N5

>  <MolWeight> (52)
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>  <Cat> (52)
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RepSox

>  <Synonyms> (52)
E-616452, SJN 2511

>  <Target> (52)
TGF-beta/Smad

>  <Form> (52)
Free Base

>  <CAS> (52)
446859-33-2

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

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (53)
2603

>  <Formula> (53)
C26H27N5O5S2

>  <MolWeight> (53)
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>  <Cat> (53)
S7207

>  <Name> (53)
Ro 31-8220 Mesylate

>  <Synonyms> (53)
Bisindolylmaleimide IX Mesylate

>  <Target> (53)
PKC

>  <Form> (53)
Mesylate

>  <CAS> (53)
138489-18-6

>  <URL> (53)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
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M  END
>  <Mol_ID> (54)
2613

>  <Formula> (54)
C24H27Cl2N5O

>  <MolWeight> (54)
472.41008

>  <Cat> (54)
S7306

>  <Name> (54)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (54)
BML-275,Compound C

>  <Target> (54)
AMPK

>  <Form> (54)
Dihydrochloride

>  <CAS> (54)
1219168-18-9

>  <URL> (54)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
LM-3151 K 02288.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (55)
2713

>  <Formula> (55)
C20H20N2O4

>  <MolWeight> (55)
352.3838

>  <Cat> (55)
S7359

>  <Name> (55)
K02288

>  <Synonyms> (55)
N/A

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

>  <Form> (55)
Free Base

>  <CAS> (55)
1431985-92-0

>  <URL> (55)
http://www.selleckchem.com/products/k02288.html

$$$$
LDN193189 HCl.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (56)
2734

>  <Formula> (56)
C25H23ClN6

>  <MolWeight> (56)
442.94332

>  <Cat> (56)
S7507

>  <Name> (56)
LDN193189 HCl

>  <Synonyms> (56)
N/A

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

>  <Form> (56)
Hydrochloride

>  <CAS> (56)
1062368-62-0

>  <URL> (56)
http://www.selleckchem.com/products/ldn-193189-HCl.html

$$$$
ML347.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (57)
2748

>  <Formula> (57)
C22H16N4O

>  <MolWeight> (57)
352.38864

>  <Cat> (57)
S7148

>  <Name> (57)
ML347

>  <Synonyms> (57)
N/A

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

>  <Form> (57)
Free Base

>  <CAS> (57)
1062368-49-3

>  <URL> (57)
http://www.selleckchem.com/products/ml347.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/12282213572D

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C17H22Cl2N2O3S

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K-Ras(G12C) inhibitor 6

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N/A

>  <Target> (58)
Rho

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Free Base

>  <CAS> (58)
No

>  <URL> (58)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
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>  <Mol_ID> (59)
2752

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C24H20N4O

>  <MolWeight> (59)
380.4418

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S7146

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DMH1

>  <Synonyms> (59)
N/A

>  <Target> (59)
TGF-beta/Smad

>  <Form> (59)
Free Base

>  <CAS> (59)
1206711-16-1

>  <URL> (59)
http://www.selleckchem.com/products/dmh1.html

$$$$
LDN-212854.cdx
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2753

>  <Formula> (60)
C25H22N6

>  <MolWeight> (60)
406.48238

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S7147

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LDN-212854

>  <Synonyms> (60)
BMP Inhibitor III

>  <Target> (60)
TGF-beta/Smad

>  <Form> (60)
Free Base

>  <CAS> (60)
1432597-26-6

>  <URL> (60)
http://www.selleckchem.com/products/ldn-212854.html

$$$$
GNF-5.cdx
csChFnd80/12282213572D

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2768

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GNF-5

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Bcr-Abl

>  <Form> (61)
Free Base

>  <CAS> (61)
778277-15-9

>  <URL> (61)
http://www.selleckchem.com/products/gnf-5.html

$$$$
PD173955 .cdx
csChFnd80/12282213572D

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260415-63-2

>  <URL> (62)
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$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (63)
2824

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C16H21ClIN3O4S

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S7332

>  <Name> (63)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (63)
N/A

>  <Target> (63)
Rho

>  <Form> (63)
Free Base

>  <CAS> (63)
1469337-91-4

>  <URL> (63)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
Go6976.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (64)
2829

>  <Formula> (64)
C24H18N4O

>  <MolWeight> (64)
378.42592

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S7119

>  <Name> (64)
Go6976

>  <Synonyms> (64)
N/A

>  <Target> (64)
PKC

>  <Form> (64)
Free Base

>  <CAS> (64)
136194-77-9

>  <URL> (64)
http://www.selleckchem.com/products/go6976.html

$$$$
6H05.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (65)
2844

>  <Formula> (65)
C22H31ClF3N3O4S3

>  <MolWeight> (65)
590.1424496

>  <Cat> (65)
S7330

>  <Name> (65)
6H05

>  <Synonyms> (65)
N/A

>  <Target> (65)
Rho

>  <Form> (65)
Free Base

>  <CAS> (65)
No

>  <URL> (65)
http://www.selleckchem.com/products/6h05.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (66)
2858

>  <Formula> (66)
C15H17ClIN3O3

>  <MolWeight> (66)
449.67125

>  <Cat> (66)
S7331

>  <Name> (66)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (66)
N/A

>  <Target> (66)
Rho

>  <Form> (66)
Free Base

>  <CAS> (66)
1469337-95-8

>  <URL> (66)
http://www.selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
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csChFnd80/12282213572D

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3068

>  <Formula> (80)
C27H21F3N8O

>  <MolWeight> (80)
530.5038496

>  <Cat> (80)
S8134

>  <Name> (80)
Radotinib

>  <Synonyms> (80)
IY-5511

>  <Target> (80)
Bcr-Abl

>  <Form> (80)
Free Base

>  <CAS> (80)
926037-48-1

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

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (81)
3069

>  <Formula> (81)
C15H23ClFN3O4S

>  <MolWeight> (81)
395.8772232

>  <Cat> (81)
S7995

>  <Name> (81)
Ripasudil (K-115)

>  <Synonyms> (81)
N/A

>  <Target> (81)
ROCK

>  <Form> (81)
Hydrochloride dihydrate

>  <CAS> (81)
887375-67-9

>  <URL> (81)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
GNF-7.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (82)
3074

>  <Formula> (82)
C28H24F3N7O2

>  <MolWeight> (82)
547.5310696

>  <Cat> (82)
S8140

>  <Name> (82)
GNF-7

>  <Synonyms> (82)
N/A

>  <Target> (82)
Bcr-Abl

>  <Form> (82)
Free Base

>  <CAS> (82)
839706-07-9

>  <URL> (82)
http://www.selleckchem.com/products/gnf-7.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/12282213572D

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>  <Mol_ID> (83)
3080

>  <Formula> (83)
C26H24N6O2

>  <MolWeight> (83)
452.50776

>  <Cat> (83)
S7936

>  <Name> (83)
KD025 (SLx-2119)

>  <Synonyms> (83)
N/A

>  <Target> (83)
ROCK

>  <Form> (83)
Free Base

>  <CAS> (83)
911417-87-3

>  <URL> (83)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
Halofuginone.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (84)
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C16H17BrClN3O3

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Halofuginone

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N/A

>  <Target> (84)
Others

>  <Form> (84)
Free Base

>  <CAS> (84)
55837-20-2

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

$$$$
Kobe0065.cdx
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>  <Mol_ID> (85)
3175

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C15H11ClF3N5O4S

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Kobe0065

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Rho

>  <Form> (85)
Free Base

>  <CAS> (85)
436133-68-5

>  <URL> (85)
http://www.selleckchem.com/products/kobe0065.html

$$$$
LY333531.cdx
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>  <Mol_ID> (86)
3212

>  <Formula> (86)
C28H29ClN4O3

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>  <Cat> (86)
S7663

>  <Name> (86)
LY333531 HCl

>  <Synonyms> (86)
Ruboxistaurin

>  <Target> (86)
PKC

>  <Form> (86)
hydrochloride

>  <CAS> (86)
169939-93-9

>  <URL> (86)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
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>  <Mol_ID> (87)
3215

>  <Formula> (87)
C28H28ClN3O3

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>  <Cat> (87)
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>  <Name> (87)
SIS3 HCl

>  <Synonyms> (87)
N/A

>  <Target> (87)
TGF-beta/Smad

>  <Form> (87)
hydrochloride

>  <CAS> (87)
521984-48-5

>  <URL> (87)
http://www.selleckchem.com/products/sis3.html

$$$$
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    4.9961    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    0.7077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  1  0  0  0
  5 14  1  1  0  0  0
  3 15  1  1  0  0  0
 12 16  2  0  0  0  0
 11 17  2  0  0  0  0
  9 18  1  6  0  0  0
  8 19  1  6  0  0  0
M  END
>  <Mol_ID> (88)
3254

>  <Formula> (88)
C15H20O2

>  <MolWeight> (88)
232.3181

>  <Cat> (88)
S8318

>  <Name> (88)
Alantolactone

>  <Synonyms> (88)
helenin, helenine, Eupatal

>  <Target> (88)
Others

>  <Form> (88)
Free Base

>  <CAS> (88)
546-43-0

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

$$$$
GSK269962.cdx
csChFnd80/12282213572D

 43 47  0  0  0  0  0  0  0  0999 V2000
    1.2124   10.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   13.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   15.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4290    3.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2193    6.2934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4800    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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 18 13  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 23 24  2  0  0  0  0
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 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
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 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> (89)
3266

>  <Formula> (89)
C29H31ClN8O5

>  <MolWeight> (89)
607.06004

>  <Cat> (89)
S7687

>  <Name> (89)
GSK269962 HCl

>  <Synonyms> (89)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (89)
ROCK

>  <Form> (89)
hydrochloride

>  <CAS> (89)
850664-21-0(free base)

>  <URL> (89)
http://www.selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/12282213572D

 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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
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    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> (90)
3282

>  <Formula> (90)
C15H18ClIN2O2S

>  <MolWeight> (90)
452.73809

>  <Cat> (90)
S8388

>  <Name> (90)
ML-7 HCl

>  <Synonyms> (90)
N/A

>  <Target> (90)
Others

>  <Form> (90)
hydrochloride

>  <CAS> (90)
110448-33-4

>  <URL> (90)
http://www.selleckchem.com/products/ml-7.html

$$$$
Y-39983 HCl.cdx
csChFnd80/12282213572D

 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
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 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> (91)
3293

>  <Formula> (91)
C16H18Cl2N4O

>  <MolWeight> (91)
353.24632

>  <Cat> (91)
S7935

>  <Name> (91)
Y-39983 HCl

>  <Synonyms> (91)
Y-33075 HCl

>  <Target> (91)
ROCK

>  <Form> (91)
dihydrochloride

>  <CAS> (91)
173897-44-4

>  <URL> (91)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/12282213572D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 10  3  1  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
3297

>  <Formula> (92)
C21H20N2O3S

>  <MolWeight> (92)
380.4601

>  <Cat> (92)
S8448

>  <Name> (92)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (92)
N/A

>  <Target> (92)
ROCK

>  <Form> (92)
Free Base

>  <CAS> (92)
557782-81-7

>  <URL> (92)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
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ROCK

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hydrochloride

>  <CAS> (93)
155558-32-0 (HCl salt)

>  <URL> (93)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
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817194-38-0

>  <URL> (94)
http://www.selleckchem.com/products/gsk180736a.html

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K-Ras(G12C)

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free base

>  <CAS> (95)
1629268-00-3

>  <URL> (95)
http://www.selleckchem.com/products/ars-853.html

$$$$
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free base

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1492952-76-7

>  <URL> (96)
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    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 19  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
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (97)
3867

>  <Formula> (97)
C29H36O15

>  <MolWeight> (97)
624.58714

>  <Cat> (97)
S5458

>  <Name> (97)
Verbascoside

>  <Synonyms> (97)
Acteoside, Kusaginin

>  <Target> (97)
Immunology & Inflammation related

>  <Form> (97)
free base

>  <CAS> (97)
61276-17-3

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

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/12282213572D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    4.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.7998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.6998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (98)
3963

>  <Formula> (98)
C28H23ClF3N7O

>  <MolWeight> (98)
565.9767296

>  <Cat> (98)
S5205

>  <Name> (98)
Nilotinib hydrochloride

>  <Synonyms> (98)
AMN-107 HCl

>  <Target> (98)
Bcr-Abl

>  <Form> (98)
hydrochloride 

>  <CAS> (98)
923288-95-3

>  <URL> (98)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S9407 Angoroside C.cdx
csChFnd80/12282213572D

 55 59  0  0  0  0  0  0  0  0999 V2000
    7.2477    2.0878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2478    3.5217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5378    4.2665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
    4.8228    2.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6315    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3804    2.1224    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3807    3.4534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6499    4.1825    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5979    3.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3935    0.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7701    1.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9752    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1912    1.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4019    2.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4025    3.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6149    4.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.7238   11.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1543    7.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    4.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    5.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    6.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132    8.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6132    9.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   10.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    9.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1859    8.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3946   11.9022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1573   12.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2478    6.3217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0353    1.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    4.1534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8228    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    5.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1680    1.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  5  1  1  0  0  0  0
  4  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  3  1  0  0  0  0
 15  4  1  0  0  0  0
  5 16  1  6  0  0  0
  4 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 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
 25 26  1  0  0  0  0
 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
 48 47  1  0  0  0  0
 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
 14 52  1  0  0  0  0
 14 53  1  6  0  0  0
 12 54  1  6  0  0  0
 11 55  1  6  0  0  0
M  END
>  <Mol_ID> (99)
4078

>  <Formula> (99)
C36H48O19

>  <MolWeight> (99)
784.75492

>  <Cat> (99)
S9407

>  <Name> (99)
Angoroside C

>  <Form> (99)
free base

>  <CAS> (99)
115909-22-3

$$$$

csChFnd80/12282213572D

 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
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M  END
>  <Mol_ID> (100)
4191

>  <Formula> (100)
C14H11ClN4S2

>  <MolWeight> (100)
334.84694

>  <Cat> (100)
S8700

>  <Name> (100)
TP0427736 HCl

>  <Synonyms> (100)
N/A

>  <Target> (100)
ALK

>  <Form> (100)
hydrochloride

>  <CAS> (100)
864374-00-5

>  <URL> (100)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$
S9061 Hydroxy safflor yellow A.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (101)
4244

>  <Formula> (101)
C27H32O16

>  <MolWeight> (101)
612.53338

>  <Cat> (101)
S9061

>  <Name> (101)
Hydroxy safflor yellow A

>  <Form> (101)
free base

>  <CAS> (101)
78281-02-4

$$$$

csChFnd80/12282213572D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (102)
4282

>  <Formula> (102)
C20H28O5

>  <MolWeight> (102)
348.43332

>  <Cat> (102)
S9101

>  <Name> (102)
Ingenol

>  <Form> (102)
free base

>  <CAS> (102)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/12282213572D

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M  END
>  <Mol_ID> (103)
4315

>  <Formula> (103)
C37H40N2O6

>  <MolWeight> (103)
608.7233

>  <Cat> (103)
S9141

>  <Name> (103)
Berbamine

>  <Form> (103)
free base

>  <CAS> (103)
478-61-5

$$$$
S9288 Casticin.cdx
csChFnd80/12282213572D

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4424

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Casticin

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free base

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479-91-4

$$$$
S9309 Micheliolide.cdx
csChFnd80/12282213572D

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4438

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248.3175

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Micheliolide

>  <Form> (105)
free base

>  <CAS> (105)
68370-47-8

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/12282213572D

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>  <Mol_ID> (106)
4599

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C22H27Cl2N7O2S

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S5254

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Dasatinib hydrochloride

>  <Synonyms> (106)
BMS 354825 hydrochloride

>  <Target> (106)
Abl/Src

>  <Form> (106)
hydrochloride 

>  <CAS> (106)
854001-07-3

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

$$$$

csChFnd80/12282213572D

 32 36  0  0  0  0  0  0  0  0999 V2000
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4788

>  <Formula> (107)
C24H29N5O3

>  <MolWeight> (107)
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>  <Cat> (107)
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>  <Name> (107)
LY 3200882 

>  <Synonyms> (107)
N/A

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

>  <Form> (107)
Free Base

>  <CAS> (107)
1898283-02-7

>  <URL> (107)
http://www.selleckchem.com/products/ly3200882.html

$$$$

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    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
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 19 20  1  0  0  0  0
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 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (108)
5145

>  <Formula> (108)
C21H19ClNO4+

>  <MolWeight> (108)
384.83286

>  <Cat> (108)
S1292

>  <Name> (108)
Chelerythrine Chloride

>  <Synonyms> (108)
N/A

>  <Target> (108)
PKC

>  <Form> (108)
Chloride

>  <CAS> (108)
3895-92-9

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

$$$$

csChFnd80/12282213572D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.5080    2.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2908    1.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4318    3.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7289    2.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
  6  5  2  0  0  0  0
 20  5  1  0  0  0  0
 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  2  0  0  0  0
 17 10  1  0  0  0  0
 19 11  2  0  0  0  0
 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
 14 18  2  0  0  0  0
 21 14  1  0  0  0  0
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 15 17  2  0  0  0  0
 22 15  1  0  0  0  0
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 26 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25 22  1  0  0  0  0
 23 27  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (109)
5222

>  <Formula> (109)
C23H19NO3

>  <MolWeight> (109)
357.40186

>  <Cat> (109)
S6424

>  <Name> (109)
TAS-301

>  <Synonyms> (109)
N/A

>  <Target> (109)
Others

>  <Form> (109)
Free Base

>  <CAS> (109)
193620-69-8

>  <URL> (109)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/12282213572D

 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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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  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
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 16 21  2  0  0  0  0
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 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> (110)
6569

>  <Formula> (110)
C16H14N2O2S2

>  <MolWeight> (110)
330.42456

>  <Cat> (110)
S6536

>  <Name> (110)
TTP 22

>  <Synonyms> (110)
N/A

>  <Target> (110)
Casein Kinase

>  <Form> (110)
free base

>  <CAS> (110)
329907-28-0

>  <URL> (110)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/12282213572D

 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
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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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 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> (111)
6591

>  <Formula> (111)
C20H25F3N6O3

>  <MolWeight> (111)
454.4461096

>  <Cat> (111)
S6577

>  <Name> (111)
PKC-theta inhibitor

>  <Synonyms> (111)
N/A

>  <Target> (111)
PKC

>  <Form> (111)
free base

>  <CAS> (111)
736048-65-0

>  <URL> (111)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/12282213572D

 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
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 16 17  1  0  0  0  0
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 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 23 24  2  0  0  0  0
 22 24  1  0  0  0  0
 16 22  1  0  0  0  0
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 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
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  8  9  1  0  0  0  0
  5 28  1  0  0  0  0
M  END
>  <Mol_ID> (112)
6673

>  <Formula> (112)
C18H13ClF2N6O

>  <MolWeight> (112)
402.7852264

>  <Cat> (112)
S6636

>  <Name> (112)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (112)
N/A

>  <Target> (112)
ROCK

>  <Form> (112)
Free Base

>  <CAS> (112)
867017-68-3

>  <URL> (112)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/12282213572D

 31 34  0  0  0  0  0  0  0  0999 V2000
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1099644-42-4

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PKC

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1874276-76-2

>  <URL> (114)
http://www.selleck.cn/products/lxs-196.html

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S8868

>  <Name> (115)
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>  <Synonyms> (115)
N/A

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TGF-beta/Smad

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Free Base

>  <CAS> (115)
1315355-93-1

>  <URL> (115)
http://www.selleck.cn/products/ng25.html

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>  <Cat> (116)
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>  <Synonyms> (116)
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>  <Target> (116)
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>  <Form> (116)
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>  <CAS> (116)
123-78-4

>  <URL> (116)
http://www.selleck.cn/products/sphingosine.html

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1629138-41-5

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630124-46-8

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csChFnd80/12282213572D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    4.1194    6.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7266    3.7281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8820    3.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5487    2.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0936    2.3284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3058    4.4285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0932    6.5284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <Mol_ID> (121)
6862

>  <Formula> (121)
C19H19N5

>  <MolWeight> (121)
317.38766

>  <Cat> (121)
S2642

>  <Name> (121)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (121)
N/A

>  <Target> (121)
Src

>  <Form> (121)
Free Base

>  <CAS> (121)
221243-82-9

>  <URL> (121)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/12282213572D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 15 18  1  0  0  0  0
  7 12  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
  9 21  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (122)
6865

>  <Formula> (122)
C20H13FN4O2

>  <MolWeight> (122)
360.3412232

>  <Cat> (122)
S5183

>  <Name> (122)
PD 169316

>  <Synonyms> (122)
N/A

>  <Target> (122)
p38 MAPK

>  <Form> (122)
Free Base

>  <CAS> (122)
152121-53-4

>  <URL> (122)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/12282213572D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  1 16  1  0  0  0  0
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  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5 23  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  2  0  0  0  0
 16 20  2  0  0  0  0
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 18 22  2  0  0  0  0
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 20 25  1  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (123)
6892

>  <Formula> (123)
C20H13F2N3

>  <MolWeight> (123)
333.3341264

>  <Cat> (123)
S6807

>  <Name> (123)
TA-02

>  <Synonyms> (123)
N/A

>  <Target> (123)
p38 MAPK

>  <Form> (123)
Free Base

>  <CAS> (123)
1784751-19-4

>  <URL> (123)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/12282213572D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
6908

>  <Formula> (124)
C43H46F3N7O7S

>  <MolWeight> (124)
861.9282496

>  <Cat> (124)
S8888

>  <Name> (124)
GMB-475

>  <Synonyms> (124)
N/A

>  <Target> (124)
PROTAC

>  <Form> (124)
Free Base

>  <CAS> (124)
no cas

>  <URL> (124)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/12282213572D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (125)
6944

>  <Formula> (125)
C14H10BrNOS

>  <MolWeight> (125)
320.2043

>  <Cat> (125)
S0523

>  <Name> (125)
SB?4

>  <Synonyms> (125)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (125)
TGF-beta/Smad

>  <Form> (125)
Free Base

>  <CAS> (125)
100874-08-6

>  <URL> (125)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/12282213572D

 31 35  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 30 17  1  0  0  0  0
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M  END
>  <Mol_ID> (126)
6975

>  <Formula> (126)
C25H19N5S

>  <MolWeight> (126)
421.51686

>  <Cat> (126)
S7692

>  <Name> (126)
A-83-01

>  <Synonyms> (126)
N/A

>  <Target> (126)
ALK

>  <Form> (126)
Free Base

>  <CAS> (126)
909910-43-6

>  <URL> (126)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/12282213572D

 38 41  0  0  0  0  0  0  0  0999 V2000
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  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (127)
6978

>  <Formula> (127)
C30H28O8

>  <MolWeight> (127)
516.53852

>  <Cat> (127)
S7862

>  <Name> (127)
Rottlerin

>  <Synonyms> (127)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (127)
PKC

>  <Form> (127)
Free Base

>  <CAS> (127)
82-08-6

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

$$$$

csChFnd80/12282213572D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
7052

>  <Formula> (128)
C23H40N2O3

>  <MolWeight> (128)
392.5753

>  <Cat> (128)
S0752

>  <Name> (128)
AUDA

>  <Target> (128)
Epoxide Hydrolase

>  <Form> (128)
free base

>  <CAS> (128)
479413-70-2

>  <URL> (128)
http://www.selleckchem.com/products/auda.html

$$$$

csChFnd80/12282213572D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (129)
7084

>  <Formula> (129)
C7H14O6

>  <MolWeight> (129)
194.18246

>  <Cat> (129)
S3223

>  <Name> (129)
L-Quebrachitol

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

>  <Form> (129)
free base

>  <CAS> (129)
642-38-6

>  <URL> (129)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/12282213572D

 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
    1.2082    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (130)
7095

>  <Formula> (130)
C18H20O5

>  <MolWeight> (130)
316.3484

>  <Cat> (130)
S3242

>  <Name> (130)
Loureirin B

>  <Target> (130)
PAI-1

>  <Form> (130)
free base

>  <CAS> (130)
119425-90-0

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

$$$$

csChFnd80/12282213572D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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
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 16 17  1  0  0  0  0
 17 10  2  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
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 13 32  1  0  0  0  0
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  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> (131)
7121

>  <Formula> (131)
C30H16O8

>  <MolWeight> (131)
504.44324

>  <Cat> (131)
S3273

>  <Name> (131)
Hypericin

>  <Target> (131)
MAO

>  <Form> (131)
free base

>  <CAS> (131)
548-04-9

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

$$$$

csChFnd80/12282213572D

 26 29  0  0  0  0  0  0  0  0999 V2000
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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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  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
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  5 18  1  0  0  0  0
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  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
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 14 15  2  0  0  0  0
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 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> (132)
7135

>  <Formula> (132)
C19H12O7

>  <MolWeight> (132)
352.29438

>  <Cat> (132)
S3289

>  <Name> (132)
Daphnoretin

>  <Target> (132)
PKC

>  <Form> (132)
free base

>  <CAS> (132)
2034-69-7

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

$$$$

csChFnd80/12282213572D

 35 42  0  0  0  0  0  0  0  0999 V2000
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    5.5549    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 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
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 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
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 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> (133)
7248

>  <Formula> (133)
C28H26N4O3

>  <MolWeight> (133)
466.53104

>  <Cat> (133)
S1421

>  <Name> (133)
Staurosporine

>  <Synonyms> (133)
CGP 41251

>  <Target> (133)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (133)
Free Base

>  <CAS> (133)
62996-74-1

>  <URL> (133)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/12282213572D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  3  7  2  0  0  0  0
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  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
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 13 18  1  0  0  0  0
 16 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (134)
7304

>  <Formula> (134)
C19H20O5

>  <MolWeight> (134)
328.3591

>  <Cat> (134)
S9264

>  <Name> (134)
Decursin

>  <Synonyms> (134)
N/A

>  <Target> (134)
Immunology & Inflammation related

>  <Form> (134)
Free Base

>  <CAS> (134)
5928-25-6

>  <URL> (134)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/12282213572D

 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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  5  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
7349

>  <Formula> (135)
C16H15FN2O4

>  <MolWeight> (135)
318.2997032

>  <Cat> (135)
S0153

>  <Name> (135)
SJ000291942

>  <Synonyms> (135)
N/A

>  <Target> (135)
TGF-beta/Smad

>  <Form> (135)
Free Base

>  <CAS> (135)
425613-09-8

>  <URL> (135)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/12282213572D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (136)
7375

>  <Formula> (136)
C17H16FN5

>  <MolWeight> (136)
309.3408432

>  <Cat> (136)
S0373

>  <Name> (136)
CZC-8004

>  <Synonyms> (136)
CZC-00008004

>  <Target> (136)
Bcr-Abl

>  <Form> (136)
Free Base

>  <CAS> (136)
916603-07-1

>  <URL> (136)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/12282213572D

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 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> (137)
7396

>  <Formula> (137)
C16H12ClNO

>  <MolWeight> (137)
269.72558

>  <Cat> (137)
S0780

>  <Name> (137)
Oncrasin-1

>  <Synonyms> (137)
N/A

>  <Target> (137)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (137)
Free Base

>  <CAS> (137)
75629-57-1

>  <URL> (137)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/12282213572D

 32 36  0  0  0  0  0  0  0  0999 V2000
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  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (138)
7422

>  <Formula> (138)
C22H31N9O

>  <MolWeight> (138)
437.54124

>  <Cat> (138)
S1272

>  <Name> (138)
XL228

>  <Synonyms> (138)
N/A

>  <Target> (138)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (138)
Free Base

>  <CAS> (138)
898280-07-4

>  <URL> (138)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/12282213572D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (139)
7435

>  <Formula> (139)
C13H17Cl2N3O2S

>  <MolWeight> (139)
350.26398

>  <Cat> (139)
S2964

>  <Name> (139)
HA-100 dihydrochloride

>  <Synonyms> (139)
N/A

>  <Target> (139)
PKG, PKA, PKC, MLCK

>  <Form> (139)
Dihydrochlori

>  <CAS> (139)
210297-47-5

>  <URL> (139)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/12282213572D

 41 43  0  0  0  0  0  0  0  0999 V2000
   10.9474   11.1516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    7.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9911    8.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374   14.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3374   14.7544    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
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    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 28  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  1  0  0  0  0
  5 24  2  0  0  0  0
  7 14  1  0  0  0  0
  7 25  1  0  0  0  0
  7 29  1  0  0  0  0
  8 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 21  1  0  0  0  0
  9 33  1  0  0  0  0
 10 29  2  0  0  0  0
 10 30  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  2  0  0  0  0
 12 33  2  0  0  0  0
 12 37  1  0  0  0  0
 13 39  1  0  0  0  0
 13 41  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 28  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 27  1  0  0  0  0
 22 31  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 30 32  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  2  0  0  0  0
 36 37  2  0  0  0  0
 38 40  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (140)
7868

>  <Formula> (140)
C28H25ClF3N7O2

>  <MolWeight> (140)
583.9920096

>  <Cat> (140)
S4895

>  <Name> (140)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (140)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (140)
Bcr-Abl

>  <Form> (140)
Hydrochloride monohydrate

>  <CAS> (140)
923288-90-8

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

$$$$

csChFnd80/12282213572D

 40 45  0  0  0  0  0  0  0  0999 V2000
    7.4067    5.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3382    1.3912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3696    7.5266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6134    8.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5722    5.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6021    4.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4229    3.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7819    3.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    3.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    4.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    5.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6214    6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
  8 11  2  0  0  0  0
 26  4  1  0  0  0  0
 12 29  1  0  0  0  0
 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
 28 20  1  0  0  0  0
 15 21  1  0  0  0  0
 27 33  1  0  0  0  0
  7  8  1  0  0  0  0
 25 22  1  0  0  0  0
 32 10  1  0  0  0  0
  3  7  1  0  0  0  0
  2 14  1  0  0  0  0
  1  6  2  0  0  0  0
 25  5  1  0  0  0  0
  9 14  1  0  0  0  0
 20 30  1  0  0  0  0
 35  4  2  0  0  0  0
 34 27  1  0  0  0  0
 10 24  1  0  0  0  0
 21 32  2  0  0  0  0
 15  3  2  0  0  0  0
 26 23  2  0  0  0  0
 33 31  1  0  0  0  0
  3 26  1  0  0  0  0
 14 30  2  0  0  0  0
 13 23  1  0  0  0  0
 10 20  2  0  0  0  0
 12  6  1  0  0  0  0
  7  9  2  0  0  0  0
 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
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 16  1  1  0  0  0  0
 31 15  1  0  0  0  0
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 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (141)
7909

>  <Formula> (141)
C30H26O10

>  <MolWeight> (141)
546.52144

>  <Cat> (141)
E0010

>  <Name> (141)
Hypocrellin A

>  <Synonyms> (141)
N/A

>  <Target> (141)
PKC

>  <Form> (141)
Free Base

>  <CAS> (141)
77029-83-5

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

$$$$

csChFnd80/12282213572D

 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    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1434   10.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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> (142)
7915

>  <Formula> (142)
C44H70O16

>  <MolWeight> (142)
855.017

>  <Cat> (142)
E0022

>  <Name> (142)
Ophiopogonin D

>  <Synonyms> (142)
OJV-VI, Deacetylophiopogonin C

>  <Target> (142)
AMPK

>  <Form> (142)
Free Base

>  <CAS> (142)
945619-74-9

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

$$$$

csChFnd80/12282213572D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (143)
8196

>  <Formula> (143)
C21H18NO4+

>  <MolWeight> (143)
348.37192

>  <Cat> (143)
E0124

>  <Name> (143)
Chelerythrine

>  <Synonyms> (143)
Toddaline, Broussonpapyrine

>  <Target> (143)
PKC

>  <Form> (143)
Free Base

>  <CAS> (143)
34316-15-9

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

$$$$

csChFnd80/12282213572D

 35 38  0  0  0  0  0  0  0  0999 V2000
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A   35
(E)
M  END
>  <Mol_ID> (144)
8368

>  <Formula> (144)
C28H27N3O3R

>  <MolWeight> (144)
453.53228

>  <Cat> (144)
S3552

>  <Name> (144)
SIS3

>  <Synonyms> (144)
N/A

>  <Target> (144)
TGF-beta/Smad

>  <Form> (144)
free base

>  <CAS> (144)
1009104-85-1

>  <URL> (144)
http://www.selleckchem.com/products/sis3.html

$$$$

csChFnd80/12282213572D

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M  END
>  <Mol_ID> (145)
8493

>  <Formula> (145)
C25H27NO

>  <MolWeight> (145)
357.48798

>  <Cat> (145)
E0786

>  <Name> (145)
N-Desmethyltamoxifen

>  <Target> (145)
PKC

>  <Form> (145)
free base

>  <CAS> (145)
31750-48-8

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

$$$$

csChFnd80/12282213572D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (146)
8602

>  <Formula> (146)
C25H28ClNO

>  <MolWeight> (146)
393.94892

>  <Cat> (146)
E2368

>  <Name> (146)
N-Desmethyltamoxifen hydrochloride

>  <Synonyms> (146)
N-Desmethyl tamoxifen HCl

>  <Form> (146)
hydrochloride

>  <CAS> (146)
15917-65-4

>  <URL> (146)
http://www.selleckchem.com/products/n-desmethyltamoxifen-hydrochloride.html

$$$$

csChFnd80/12282213572D

 32 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (147)
8703

>  <Formula> (147)
C21H42N6O5

>  <MolWeight> (147)
458.59538

>  <Cat> (147)
P1164

>  <Name> (147)
LSKL, Inhibitor of Thrombospondin (TSP-1)

>  <Form> (147)
free base

>  <CAS> (147)
283609-79-0

>  <URL> (147)
http://www.selleckchem.com/products/lskl--Inhibitor-of-thrombospondin--tsp-1--tfa-.html

$$$$
>  <Mol_ID> (148)
8706

>  <Cat> (148)
P1167

>  <Name> (148)
pm26TGF-¦Â1 peptide (TFA)

>  <Form> (148)
free base

>  <URL> (148)
http://www.selleckchem.com/products/pm26tgf-beta1-peptide--tfa-.html

$$$$

csChFnd80/12282213572D

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M  END
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8709

>  <Formula> (149)
C68H109N17O22S2

>  <MolWeight> (149)
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>  <Cat> (149)
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>  <Name> (149)
Disitertide(P144)

>  <Form> (149)
free base

>  <CAS> (149)
272105-42-7

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

$$$$

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>  <Mol_ID> (150)
8762

>  <Formula> (150)
C33H45NO10

>  <MolWeight> (150)
615.7111

>  <Cat> (150)
E0201

>  <Name> (150)
Hypaconitine

>  <Synonyms> (150)
Deoxymesaconitine

>  <Target> (150)
Others

>  <Form> (150)
free base

>  <CAS> (150)
6900-87-4

>  <URL> (150)
http://www.selleckchem.com/products/hypaconitine.html

$$$$

csChFnd80/12282213572D

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>  <Mol_ID> (151)
8786

>  <Formula> (151)
C20H18FN5O

>  <MolWeight> (151)
363.3882232

>  <Cat> (151)
S7710

>  <Name> (151)
R-268712

>  <Target> (151)
TGF-beta/Smad

>  <Form> (151)
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>  <CAS> (151)
879487-87-3

>  <URL> (151)
http://www.selleckchem.com/products/r-268712.html

$$$$

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   10.0570   12.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0027   15.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2  9  1  0  0  0  0
  2 18  1  0  0  0  0
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  4 30  1  0  0  0  0
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 10 15  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 23  2  0  0  0  0
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 20 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 22 30  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (152)
8837

>  <Formula> (152)
C22H20ClF3N4O3S

>  <MolWeight> (152)
512.9324096

>  <Cat> (152)
S0345

>  <Name> (152)
Smurf1-IN-A01

>  <Synonyms> (152)
A01, SMURF1 inhibitor A01

>  <Target> (152)
E3 Ligase

>  <Form> (152)
Free base

>  <CAS> (152)
1007647-73-5

>  <URL> (152)
http://www.selleckchem.com/products/smurf1-in-a01.html

$$$$

csChFnd80/12282213572D

 51 55  0  0  0  0  0  0  0  0999 V2000
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 31 26  1  0  0  0  0
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 30 34  1  6  0  0  0
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 37 40  1  0  0  0  0
 17 41  1  6  0  0  0
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 49 50  1  0  0  0  0
 42 51  2  0  0  0  0
M  END
>  <Mol_ID> (153)
8989

>  <Formula> (153)
C34H36F3NO13

>  <MolWeight> (153)
723.6437496

>  <Cat> (153)
S9522

>  <Name> (153)
Valrubicin

>  <Synonyms> (153)
N/A

>  <Target> (153)
PKC

>  <Form> (153)
Free base

>  <CAS> (153)
56124-62-0

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

$$$$

csChFnd80/12282213572D

 34 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (154)
9088

>  <Formula> (154)
C28H23N3O2S

>  <MolWeight> (154)
465.56612

>  <Cat> (154)
E2394

>  <Name> (154)
TGF¦ÂRI-IN-3

>  <Target> (154)
TGF-beta/Smad

>  <Form> (154)
Free base

>  <CAS> (154)
2763602-67-9

>  <URL> (154)
http://www.selleckchem.com/products/tgfbetari-in-3.html

$$$$

csChFnd80/12282213572D

 35 37  0  0  0  0  0  0  0  0999 V2000
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 32 34  2  0  0  0  0
A   35
.
M  END
>  <Mol_ID> (155)
9116

>  <Formula> (155)
C26H26N4O4R

>  <MolWeight> (155)
458.50904

>  <Cat> (155)
E2839

>  <Name> (155)
Bisindolylmaleimide VIII (acetate)

>  <Synonyms> (155)
Ro 31-7549 acetate

>  <Target> (155)
PKC

>  <Form> (155)
Acetate

>  <CAS> (155)
138516-31-1

>  <URL> (155)
http://www.selleckchem.com/products/bisindolylmaleimide-8--acetate-.html

$$$$

csChFnd80/12282213572D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.3001    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0001    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    8.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4001    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1001    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5001    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001    4.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (156)
9201

>  <Formula> (156)
C20H16N4

>  <MolWeight> (156)
312.36784

>  <Cat> (156)
E2807

>  <Name> (156)
WAY-641966

>  <Target> (156)
TGF-¦Â,p38-¦Á

>  <Form> (156)
Free base

>  <CAS> (156)
259870-32-1

>  <URL> (156)
https://www.selleckchem.com/products/way-641966.html

$$$$
