Bosutinib (SKI-606).cdx
csChFnd80/06072114032D

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

>  <Synonyms> (1)
N/A 

>  <Target> (1)
Src

>  <Form> (1)
Free Base

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

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

$$$$
Dasatinib.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (2)
12

>  <Formula> (2)
C22H26ClN7O2S

>  <MolWeight> (2)
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S1021

>  <Name> (2)
Dasatinib

>  <Synonyms> (2)
BMS-354825

>  <Target> (2)
Src, Bcr-Abl, c-Kit

>  <Form> (2)
Free Base

>  <CAS> (2)
302962-49-8

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

$$$$
Imatinib Mesylate.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (3)
16

>  <Formula> (3)
C30H35N7O4S

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>  <Cat> (3)
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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
csChFnd80/06072114032D

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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
csChFnd80/06072114032D

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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
csChFnd80/06072114032D

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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
csChFnd80/06072114032D

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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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>  <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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427

>  <Formula> (17)
C30H28FN7O3

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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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csChFnd80/06072114032D

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552

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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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csChFnd80/06072114032D

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>  <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

$$$$
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csChFnd80/06072114032D

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C14H11N3O3S

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Nocodazole

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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
csChFnd80/06072114032D

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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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  1  2  1  0  0  0  0
  2  3  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
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 20 21  1  0  0  0  0
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 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)
601

>  <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
csChFnd80/06072114032D

 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
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    4.8455    1.3951    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
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M  END
>  <Mol_ID> (22)
625

>  <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
csChFnd80/06072114032D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (23)
655

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (24)
659

>  <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
csChFnd80/06072114032D

 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
 23 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  2  0  0  0  0
 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)
679

>  <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
csChFnd80/06072114032D

 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
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  7 19  2  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (26)
731

>  <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
csChFnd80/06072114032D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 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
 18 21  1  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
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (27)
746

>  <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
csChFnd80/06072114032D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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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
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (28)
755

>  <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
csChFnd80/06072114032D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
790

>  <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

$$$$

csChFnd80/06072114032D

 34 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
802

>  <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
csChFnd80/06072114032D

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>  <Mol_ID> (31)
858

>  <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
csChFnd80/06072114032D

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>  <Mol_ID> (32)
861

>  <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
csChFnd80/06072114032D

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>  <Mol_ID> (33)
871

>  <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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csChFnd80/06072114032D

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Akt

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937174-76-0

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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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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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Sulfasalazine (Azulfidine)

>  <Synonyms> (38)
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COX,NF-¦ÊB

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599-79-1

>  <URL> (38)
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$$$$
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M  END
>  <Mol_ID> (39)
1244

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (40)
1744

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (41)
1747

>  <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
csChFnd80/06072114032D

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>  <Mol_ID> (42)
1762

>  <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
csChFnd80/06072114032D

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>  <Mol_ID> (43)
1787

>  <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
csChFnd80/06072114032D

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1891

>  <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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csChFnd80/06072114032D

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2001

>  <Formula> (45)
C26H27N5O2

>  <MolWeight> (45)
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>  <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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>  <Mol_ID> (46)
2005

>  <Formula> (46)
C17H12N4

>  <MolWeight> (46)
272.30398

>  <Cat> (46)
S2805

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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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (47)
2045

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (48)
2047

>  <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
csChFnd80/06072114032D

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2283

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Methyl-Hesperidin

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free base

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

$$$$
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csChFnd80/06072114032D

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>  <Target> (50)
Akt

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Free Base

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

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

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/06072114032D

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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
csChFnd80/06072114032D

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2628

>  <Formula> (52)
C17H13N5

>  <MolWeight> (52)
287.31862

>  <Cat> (52)
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>  <Name> (52)
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
csChFnd80/06072114032D

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>  <Mol_ID> (53)
2639

>  <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

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
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M  END
>  <Mol_ID> (54)
2649

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (55)
2751

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (56)
2772

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (57)
2786

>  <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
csChFnd80/06072114032D

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2789

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C17H22Cl2N2O3S

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S7333

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K-Ras(G12C) inhibitor 6

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N/A

>  <Target> (58)
Rho

>  <Form> (58)
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)
2790

>  <Formula> (59)
C24H20N4O

>  <MolWeight> (59)
380.4418

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S7146

>  <Name> (59)
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
csChFnd80/06072114032D

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>  <Mol_ID> (60)
2791

>  <Formula> (60)
C25H22N6

>  <MolWeight> (60)
406.48238

>  <Cat> (60)
S7147

>  <Name> (60)
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
csChFnd80/06072114032D

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2806

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C20H17F3N4O3

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S7526

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GNF-5

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N/A

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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
csChFnd80/06072114032D

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Bcr-Abl

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>  <CAS> (62)
260415-63-2

>  <URL> (62)
http://www.selleckchem.com/products/pd173955.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (63)
2862

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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
csChFnd80/06072114032D

 29 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (64)
2867

>  <Formula> (64)
C24H18N4O

>  <MolWeight> (64)
378.42592

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S7119

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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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (65)
2882

>  <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
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (66)
2896

>  <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

$$$$
URMC-099.cdx
csChFnd80/06072114032D

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C18H17Cl2FN4OS

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Akt

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1047644-62-1

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csChFnd80/06072114032D

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LDN-214117

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TGF-beta/Smad

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Free Base

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1627503-67-6

>  <URL> (77)
http://www.selleckchem.com/products/ldn-214117.html

$$$$
Dorsomorphin.cdx
csChFnd80/06072114032D

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C24H25N5O

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Dorsomorphin (Compound C)

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>  <Target> (78)
AMPK

>  <Form> (78)
Free Base

>  <CAS> (78)
866405-64-3

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

$$$$
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csChFnd80/06072114032D

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C27H21F3N8O

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Radotinib

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IY-5511

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Bcr-Abl

>  <Form> (79)
Free Base

>  <CAS> (79)
926037-48-1

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

$$$$
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csChFnd80/06072114032D

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3109

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Ripasudil (K-115)

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N/A

>  <Target> (80)
ROCK

>  <Form> (80)
Hydrochloride dihydrate

>  <CAS> (80)
887375-67-9

>  <URL> (80)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
GNF-7.cdx
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GNF-7

>  <Synonyms> (81)
N/A

>  <Target> (81)
Bcr-Abl

>  <Form> (81)
Free Base

>  <CAS> (81)
839706-07-9

>  <URL> (81)
http://www.selleckchem.com/products/gnf-7.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/06072114032D

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3120

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C26H24N6O2

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KD025 (SLx-2119)

>  <Synonyms> (82)
N/A

>  <Target> (82)
ROCK

>  <Form> (82)
Free Base

>  <CAS> (82)
911417-87-3

>  <URL> (82)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
Halofuginone.cdx
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C16H17BrClN3O3

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N/A

>  <Target> (83)
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>  <Form> (83)
Free Base

>  <CAS> (83)
55837-20-2

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

$$$$
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M  END
>  <Mol_ID> (84)
3217

>  <Formula> (84)
C15H11ClF3N5O4S

>  <MolWeight> (84)
449.7921496

>  <Cat> (84)
S8303

>  <Name> (84)
Kobe0065

>  <Synonyms> (84)
N/A

>  <Target> (84)
Rho

>  <Form> (84)
Free Base

>  <CAS> (84)
436133-68-5

>  <URL> (84)
http://www.selleckchem.com/products/kobe0065.html

$$$$
LY333531.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (85)
3255

>  <Formula> (85)
C28H29ClN4O3

>  <MolWeight> (85)
505.00786

>  <Cat> (85)
S7663

>  <Name> (85)
LY333531 HCl

>  <Synonyms> (85)
Ruboxistaurin

>  <Target> (85)
PKC

>  <Form> (85)
hydrochloride

>  <CAS> (85)
169939-93-9

>  <URL> (85)
http://www.selleckchem.com/products/ly333531.html

$$$$
SIS3.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (86)
3259

>  <Formula> (86)
C28H28ClN3O3

>  <MolWeight> (86)
489.99322

>  <Cat> (86)
S7959

>  <Name> (86)
SIS3 HCl

>  <Synonyms> (86)
N/A

>  <Target> (86)
TGF-beta/Smad

>  <Form> (86)
hydrochloride

>  <CAS> (86)
521984-48-5

>  <URL> (86)
http://www.selleckchem.com/products/sis3.html

$$$$
Alantolactone.cdx
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (87)
3298

>  <Formula> (87)
C15H20O2

>  <MolWeight> (87)
232.3181

>  <Cat> (87)
S8318

>  <Name> (87)
Alantolactone

>  <Synonyms> (87)
helenin, helenine, Eupatal

>  <Target> (87)
Others

>  <Form> (87)
Free Base

>  <CAS> (87)
546-43-0

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

$$$$
GSK269962.cdx
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    8.6061    4.9620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    2.6967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    3.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    4.5293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    4.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 33 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 37  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (88)
3310

>  <Formula> (88)
C29H31ClN8O5

>  <MolWeight> (88)
607.06004

>  <Cat> (88)
S7687

>  <Name> (88)
GSK269962 HCl

>  <Synonyms> (88)
GSK 269962, GSK-269962, GSK269962A, GSK 269962A, GSK-269962A, GSK269962B

>  <Target> (88)
ROCK

>  <Form> (88)
hydrochloride

>  <CAS> (88)
850664-21-0(free base)

>  <URL> (88)
http://www.selleckchem.com/products/gsk269962.html

$$$$
ML-7.cdx
csChFnd80/06072114032D

 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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8987    7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2102    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   10.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644    8.9723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    7.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    4.1020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (89)
3326

>  <Formula> (89)
C15H18ClIN2O2S

>  <MolWeight> (89)
452.73809

>  <Cat> (89)
S8388

>  <Name> (89)
ML-7 HCl

>  <Synonyms> (89)
N/A

>  <Target> (89)
Others

>  <Form> (89)
hydrochloride

>  <CAS> (89)
110448-33-4

>  <URL> (89)
http://www.selleckchem.com/products/ml-7.html

$$$$
Y-39983 HCl.cdx
csChFnd80/06072114032D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2085    1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5914    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (90)
3337

>  <Formula> (90)
C16H18Cl2N4O

>  <MolWeight> (90)
353.24632

>  <Cat> (90)
S7935

>  <Name> (90)
Y-39983 HCl

>  <Synonyms> (90)
Y-33075 HCl

>  <Target> (90)
ROCK

>  <Form> (90)
dihydrochloride

>  <CAS> (90)
173897-44-4

>  <URL> (90)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/06072114032D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    6.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    5.3689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366    6.3836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8635    3.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6693    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337    2.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1942    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (91)
3341

>  <Formula> (91)
C21H20N2O3S

>  <MolWeight> (91)
380.4601

>  <Cat> (91)
S8448

>  <Name> (91)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (91)
N/A

>  <Target> (91)
ROCK

>  <Form> (91)
Free Base

>  <CAS> (91)
557782-81-7

>  <URL> (91)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/06072114032D

 23 23  0  0  0  0  0  0  0  0999 V2000
    2.8000    7.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    9.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    6.0462    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    5.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2240    2.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7397    2.5277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9483    3.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961    4.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    0.3646    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7298    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  7 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
  4  3  1  0  0  0  0
A   23
xH2O
M  END
>  <Mol_ID> (92)
3393

>  <Formula> (92)
C14H18ClN3O3RS

>  <MolWeight> (92)
343.82902

>  <Cat> (92)
S8208

>  <Name> (92)
Hydroxyfasudil (HA-1100)HCl

>  <Synonyms> (92)
N/A

>  <Target> (92)
ROCK

>  <Form> (92)
hydrochloride

>  <CAS> (92)
155558-32-0 (HCl salt)

>  <URL> (92)
http://www.selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$
GSK180736A.cdx
csChFnd80/06072114032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (93)
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C19H16FN5O2

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ROCK

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817194-38-0

>  <URL> (93)
http://www.selleckchem.com/products/gsk180736a.html

$$$$
ARS-853.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (94)
3426

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C22H29ClN4O3

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ARS-853 (ARS853)

>  <Synonyms> (94)
N/A

>  <Target> (94)
K-Ras(G12C)

>  <Form> (94)
free base

>  <CAS> (94)
1629268-00-3

>  <URL> (94)
http://www.selleckchem.com/products/ars-853.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/06072114032D

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>  <Mol_ID> (95)
3681

>  <Formula> (95)
C20H18ClF2N5O3

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S8555

>  <Name> (95)
Asciminib (ABL001)

>  <Synonyms> (95)
N/A

>  <Target> (95)
Bcr-Abl

>  <Form> (95)
free base

>  <CAS> (95)
1492952-76-7

>  <URL> (95)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (96)
3921

>  <Formula> (96)
C29H36O15

>  <MolWeight> (96)
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>  <Cat> (96)
S5458

>  <Name> (96)
Verbascoside

>  <Synonyms> (96)
Acteoside, Kusaginin

>  <Target> (96)
Immunology & Inflammation related

>  <Form> (96)
free base

>  <CAS> (96)
61276-17-3

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

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/06072114032D

 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
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   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
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M  END
>  <Mol_ID> (97)
4022

>  <Formula> (97)
C28H23ClF3N7O

>  <MolWeight> (97)
565.9767296

>  <Cat> (97)
S5205

>  <Name> (97)
Nilotinib hydrochloride

>  <Synonyms> (97)
AMN-107 HCl

>  <Target> (97)
Bcr-Abl

>  <Form> (97)
hydrochloride 

>  <CAS> (97)
923288-95-3

>  <URL> (97)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$

csChFnd80/06072114032D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.7374    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (98)
4252

>  <Formula> (98)
C14H11ClN4S2

>  <MolWeight> (98)
334.84694

>  <Cat> (98)
S8700

>  <Name> (98)
TP0427736 HCl

>  <Synonyms> (98)
N/A

>  <Target> (98)
ALK

>  <Form> (98)
hydrochloride

>  <CAS> (98)
864374-00-5

>  <URL> (98)
http://www.selleckchem.com/products/tp0427736-hcl.html

$$$$

csChFnd80/06072114032D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  7  1  6  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  1  1  0  0  0  0
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 14  6  1  0  0  0  0
 12 15  1  1  0  0  0
 14 15  1  1  0  0  0
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 10 17  1  1  0  0  0
  2 18  1  1  0  0  0
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 13 20  1  6  0  0  0
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 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (99)
4343

>  <Formula> (99)
C20H28O5

>  <MolWeight> (99)
348.43332

>  <Cat> (99)
S9101

>  <Name> (99)
Ingenol

>  <Form> (99)
free base

>  <CAS> (99)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/06072114032D

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M  END
>  <Mol_ID> (100)
4376

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C37H40N2O6

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Berbamine

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free base

>  <CAS> (100)
478-61-5

$$$$
S9288 Casticin.cdx
csChFnd80/06072114032D

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>  <Mol_ID> (101)
4486

>  <Formula> (101)
C19H18O8

>  <MolWeight> (101)
374.34142

>  <Cat> (101)
S9288

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Casticin

>  <Form> (101)
free base

>  <CAS> (101)
479-91-4

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/06072114032D

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4664

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C22H27Cl2N7O2S

>  <MolWeight> (102)
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>  <Cat> (102)
S5254

>  <Name> (102)
Dasatinib hydrochloride

>  <Synonyms> (102)
BMS 354825 hydrochloride

>  <Target> (102)
Abl/Src

>  <Form> (102)
hydrochloride 

>  <CAS> (102)
854001-07-3

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

$$$$

csChFnd80/06072114032D

 32 36  0  0  0  0  0  0  0  0999 V2000
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4856

>  <Formula> (103)
C24H29N5O3

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>  <Name> (103)
LY 3200882 

>  <Synonyms> (103)
N/A

>  <Target> (103)
TGF-beta/Smad

>  <Form> (103)
Free Base

>  <CAS> (103)
1898283-02-7

>  <URL> (103)
http://www.selleckchem.com/products/ly3200882.html

$$$$

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5242

>  <Formula> (104)
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>  <MolWeight> (104)
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>  <Cat> (104)
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>  <Name> (104)
Chelerythrine Chloride

>  <Synonyms> (104)
N/A

>  <Target> (104)
PKC

>  <Form> (104)
Chloride

>  <CAS> (104)
3895-92-9

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

$$$$

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  2  1  1  0  0  0  0
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 23  6  1  0  0  0  0
 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (105)
5321

>  <Formula> (105)
C23H19NO3

>  <MolWeight> (105)
357.40186

>  <Cat> (105)
S6424

>  <Name> (105)
TAS-301

>  <Synonyms> (105)
N/A

>  <Target> (105)
Others

>  <Form> (105)
Free Base

>  <CAS> (105)
193620-69-8

>  <URL> (105)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/06072114032D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (106)
6684

>  <Formula> (106)
C16H14N2O2S2

>  <MolWeight> (106)
330.42456

>  <Cat> (106)
S6536

>  <Name> (106)
TTP 22

>  <Synonyms> (106)
N/A

>  <Target> (106)
Casein Kinase

>  <Form> (106)
free base

>  <CAS> (106)
329907-28-0

>  <URL> (106)
http://www.selleck.cn/products/ttp-22.html

$$$$

csChFnd80/06072114032D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (107)
6706

>  <Formula> (107)
C20H25F3N6O3

>  <MolWeight> (107)
454.4461096

>  <Cat> (107)
S6577

>  <Name> (107)
PKC-theta inhibitor

>  <Synonyms> (107)
N/A

>  <Target> (107)
PKC

>  <Form> (107)
free base

>  <CAS> (107)
736048-65-0

>  <URL> (107)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/06072114032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
6788

>  <Formula> (108)
C18H13ClF2N6O

>  <MolWeight> (108)
402.7852264

>  <Cat> (108)
S6636

>  <Name> (108)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (108)
N/A

>  <Target> (108)
ROCK

>  <Form> (108)
Free Base

>  <CAS> (108)
867017-68-3

>  <URL> (108)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/06072114032D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
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6800

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>  <MolWeight> (109)
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>  <Name> (109)
ITD-1

>  <Synonyms> (109)
N/A

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

>  <Form> (109)
Free Base

>  <CAS> (109)
1099644-42-4

>  <URL> (109)
http://www.selleck.cn/products/itd-1.html

$$$$

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 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (110)
6807

>  <Formula> (110)
C22H23F3N8O

>  <MolWeight> (110)
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>  <Cat> (110)
S6723

>  <Name> (110)
LXS-196

>  <Synonyms> (110)
IDE-196

>  <Target> (110)
PKC

>  <Form> (110)
Free Base

>  <CAS> (110)
1874276-76-2

>  <URL> (110)
http://www.selleck.cn/products/lxs-196.html

$$$$

csChFnd80/06072114032D

 39 43  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (111)
6853

>  <Formula> (111)
C29H30F3N5O2

>  <MolWeight> (111)
537.5760096

>  <Cat> (111)
S8868

>  <Name> (111)
NG25

>  <Synonyms> (111)
N/A

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

>  <Form> (111)
Free Base

>  <CAS> (111)
1315355-93-1

>  <URL> (111)
http://www.selleck.cn/products/ng25.html

$$$$

csChFnd80/06072114032D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (112)
6872

>  <Formula> (112)
C18H37NO2

>  <MolWeight> (112)
299.49188

>  <Cat> (112)
S2210

>  <Name> (112)
Sphingosine

>  <Synonyms> (112)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (112)
Others

>  <Form> (112)
Free Base

>  <CAS> (112)
123-78-4

>  <URL> (112)
http://www.selleck.cn/products/sphingosine.html

$$$$

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M  END
>  <Mol_ID> (117)
6983

>  <Formula> (117)
C19H19N5

>  <MolWeight> (117)
317.38766

>  <Cat> (117)
S2642

>  <Name> (117)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (117)
N/A

>  <Target> (117)
Src

>  <Form> (117)
Free Base

>  <CAS> (117)
221243-82-9

>  <URL> (117)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/06072114032D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
6986

>  <Formula> (118)
C20H13FN4O2

>  <MolWeight> (118)
360.3412232

>  <Cat> (118)
S5183

>  <Name> (118)
PD 169316

>  <Synonyms> (118)
N/A

>  <Target> (118)
p38 MAPK

>  <Form> (118)
Free Base

>  <CAS> (118)
152121-53-4

>  <URL> (118)
http://www.selleckchem.com/products/pd-169316.html

$$$$

csChFnd80/06072114032D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
7013

>  <Formula> (119)
C20H13F2N3

>  <MolWeight> (119)
333.3341264

>  <Cat> (119)
S6807

>  <Name> (119)
TA-02

>  <Synonyms> (119)
N/A

>  <Target> (119)
p38 MAPK

>  <Form> (119)
Free Base

>  <CAS> (119)
1784751-19-4

>  <URL> (119)
http://www.selleckchem.com/products/ta-02.html

$$$$

csChFnd80/06072114032D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
7029

>  <Formula> (120)
C43H46F3N7O7S

>  <MolWeight> (120)
861.9282496

>  <Cat> (120)
S8888

>  <Name> (120)
GMB-475

>  <Synonyms> (120)
N/A

>  <Target> (120)
PROTAC

>  <Form> (120)
Free Base

>  <CAS> (120)
no cas

>  <URL> (120)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/06072114032D

 18 20  0  0  0  0  0  0  0  0999 V2000
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  5 10  2  0  0  0  0
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 10 16  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (121)
7065

>  <Formula> (121)
C14H10BrNOS

>  <MolWeight> (121)
320.2043

>  <Cat> (121)
S0523

>  <Name> (121)
SB?4

>  <Synonyms> (121)
Benepali, Brenzys, Etanercept biosimilar

>  <Target> (121)
TGF-beta/Smad

>  <Form> (121)
Free Base

>  <CAS> (121)
100874-08-6

>  <URL> (121)
http://www.selleckchem.com/products/sb-4.html

$$$$

csChFnd80/06072114032D

 31 35  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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 16 18  2  0  0  0  0
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 20 21  2  0  0  0  0
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 25 20  1  0  0  0  0
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M  END
>  <Mol_ID> (122)
7097

>  <Formula> (122)
C25H19N5S

>  <MolWeight> (122)
421.51686

>  <Cat> (122)
S7692

>  <Name> (122)
A-83-01

>  <Synonyms> (122)
N/A

>  <Target> (122)
ALK

>  <Form> (122)
Free Base

>  <CAS> (122)
909910-43-6

>  <URL> (122)
http://www.selleckchem.com/products/a-83-01.html

$$$$

csChFnd80/06072114032D

 38 41  0  0  0  0  0  0  0  0999 V2000
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 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (123)
7100

>  <Formula> (123)
C30H28O8

>  <MolWeight> (123)
516.53852

>  <Cat> (123)
S7862

>  <Name> (123)
Rottlerin

>  <Synonyms> (123)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (123)
PKC

>  <Form> (123)
Free Base

>  <CAS> (123)
82-08-6

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

$$$$

csChFnd80/06072114032D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  3  7  1  0  0  0  0
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 10  1  1  0  0  0  0
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (124)
7175

>  <Formula> (124)
C23H40N2O3

>  <MolWeight> (124)
392.5753

>  <Cat> (124)
S0752

>  <Name> (124)
AUDA

>  <Target> (124)
Epoxide Hydrolase

>  <Form> (124)
free base

>  <CAS> (124)
479413-70-2

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

$$$$

csChFnd80/06072114032D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (125)
7207

>  <Formula> (125)
C7H14O6

>  <MolWeight> (125)
194.18246

>  <Cat> (125)
S3223

>  <Name> (125)
L-Quebrachitol

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

>  <Form> (125)
free base

>  <CAS> (125)
642-38-6

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

$$$$

csChFnd80/06072114032D

 38 45  0  0  0  0  0  0  0  0999 V2000
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    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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  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
 15 16  1  0  0  0  0
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 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
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 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (126)
7245

>  <Formula> (126)
C30H16O8

>  <MolWeight> (126)
504.44324

>  <Cat> (126)
S3273

>  <Name> (126)
Hypericin

>  <Target> (126)
MAO

>  <Form> (126)
free base

>  <CAS> (126)
548-04-9

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

$$$$

csChFnd80/06072114032D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (127)
7259

>  <Formula> (127)
C19H12O7

>  <MolWeight> (127)
352.29438

>  <Cat> (127)
S3289

>  <Name> (127)
Daphnoretin

>  <Target> (127)
PKC

>  <Form> (127)
free base

>  <CAS> (127)
2034-69-7

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

$$$$

csChFnd80/06072114032D

 35 42  0  0  0  0  0  0  0  0999 V2000
    4.3424    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3424    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7673    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7673    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5549    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1018    7.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  8 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (128)
7372

>  <Formula> (128)
C28H26N4O3

>  <MolWeight> (128)
466.53104

>  <Cat> (128)
S1421

>  <Name> (128)
Staurosporine

>  <Synonyms> (128)
CGP 41251

>  <Target> (128)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (128)
Free Base

>  <CAS> (128)
62996-74-1

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

$$$$

csChFnd80/06072114032D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0930    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0941    2.1453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8715    0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8739    2.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6678    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5074    0.7240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6689    2.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4141    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5558    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  1  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (129)
7430

>  <Formula> (129)
C19H20O5

>  <MolWeight> (129)
328.3591

>  <Cat> (129)
S9264

>  <Name> (129)
Decursin

>  <Synonyms> (129)
N/A

>  <Target> (129)
Immunology & Inflammation related

>  <Form> (129)
Free Base

>  <CAS> (129)
5928-25-6

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

$$$$

csChFnd80/06072114032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8071    3.2196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (130)
7475

>  <Formula> (130)
C16H15FN2O4

>  <MolWeight> (130)
318.2997032

>  <Cat> (130)
S0153

>  <Name> (130)
SJ000291942

>  <Synonyms> (130)
N/A

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

>  <Form> (130)
Free Base

>  <CAS> (130)
425613-09-8

>  <URL> (130)
https://www.selleckchem.com/products/sj000291942.html

$$$$

csChFnd80/06072114032D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    1.2124    3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9478    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9478    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3726    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0099    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0099    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7975    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (131)
7501

>  <Formula> (131)
C17H16FN5

>  <MolWeight> (131)
309.3408432

>  <Cat> (131)
S0373

>  <Name> (131)
CZC-8004

>  <Synonyms> (131)
CZC-00008004

>  <Target> (131)
Bcr-Abl

>  <Form> (131)
Free Base

>  <CAS> (131)
916603-07-1

>  <URL> (131)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/06072114032D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0122    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5883    7.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
 10 11  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (132)
7522

>  <Formula> (132)
C16H12ClNO

>  <MolWeight> (132)
269.72558

>  <Cat> (132)
S0780

>  <Name> (132)
Oncrasin-1

>  <Synonyms> (132)
N/A

>  <Target> (132)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (132)
Free Base

>  <CAS> (132)
75629-57-1

>  <URL> (132)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/06072114032D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
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  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
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  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
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 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (133)
7548

>  <Formula> (133)
C22H31N9O

>  <MolWeight> (133)
437.54124

>  <Cat> (133)
S1272

>  <Name> (133)
XL228

>  <Synonyms> (133)
N/A

>  <Target> (133)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (133)
Free Base

>  <CAS> (133)
898280-07-4

>  <URL> (133)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/06072114032D

 21 21  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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 10 12  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (134)
7561

>  <Formula> (134)
C13H17Cl2N3O2S

>  <MolWeight> (134)
350.26398

>  <Cat> (134)
S2964

>  <Name> (134)
HA-100 dihydrochloride

>  <Synonyms> (134)
N/A

>  <Target> (134)
PKG, PKA, PKC, MLCK

>  <Form> (134)
Dihydrochlori

>  <CAS> (134)
210297-47-5

>  <URL> (134)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/06072114032D

 41 43  0  0  0  0  0  0  0  0999 V2000
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    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700   13.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   13.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.1603   15.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 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
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 21 23  1  0  0  0  0
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 34 35  1  0  0  0  0
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 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> (135)
7995

>  <Formula> (135)
C28H25ClF3N7O2

>  <MolWeight> (135)
583.9920096

>  <Cat> (135)
S4895

>  <Name> (135)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (135)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (135)
Bcr-Abl

>  <Form> (135)
Hydrochloride monohydrate

>  <CAS> (135)
923288-90-8

>  <URL> (135)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$
