Bosutinib (SKI-606).cdx
csChFnd80/01212111352D

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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
csChFnd80/01212111352D

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>  <Mol_ID> (2)
12

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C22H26ClN7O2S

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Dasatinib

>  <Synonyms> (2)
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
csChFnd80/01212111352D

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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
csChFnd80/01212111352D

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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
csChFnd80/01212111352D

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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
csChFnd80/01212111352D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (7)
34

>  <Formula> (7)
C19H20N4O2S2

>  <MolWeight> (7)
400.5177

>  <Cat> (7)
S1052

>  <Name> (7)
Elesclomol (STA-4783)

>  <Synonyms> (7)
STA-4783

>  <Target> (7)
HSP

>  <Form> (7)
Free Base

>  <CAS> (7)
488832-69-5

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

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (8)
36

>  <Formula> (8)
C32H29N5O2

>  <MolWeight> (8)
515.60496

>  <Cat> (8)
S1055

>  <Name> (8)
Enzastaurin (LY317615)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
PKC 

>  <Form> (8)
Free Base

>  <CAS> (8)
170364-57-5

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

$$$$
NVP-AUY922 .cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (9)
43

>  <Formula> (9)
C26H31N3O5

>  <MolWeight> (9)
465.54144

>  <Cat> (9)
S1069

>  <Name> (9)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (9)
VER-52296

>  <Target> (9)
HSP

>  <Form> (9)
Free Base

>  <CAS> (9)
747412-49-3

>  <URL> (9)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$

csChFnd80/01212111352D

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>  <Mol_ID> (10)
48

>  <Formula> (10)
C25H23Cl2N5O

>  <MolWeight> (10)
480.38902

>  <Cat> (10)
S1078

>  <Name> (10)
MK-2206 dihydrochloride

>  <Synonyms> (10)
N/A

>  <Target> (10)
Akt

>  <Form> (10)
Dihydrochloride

>  <CAS> (10)
1032350-13-2

>  <URL> (10)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (11)
69

>  <Formula> (11)
C26H30N6O3

>  <MolWeight> (11)
474.5548

>  <Cat> (11)
S1107

>  <Name> (11)
Danusertib (PHA-739358)

>  <Synonyms> (11)
N/A 

>  <Target> (11)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (11)
Free Base

>  <CAS> (11)
827318-97-8

>  <URL> (11)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
AT9283.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (12)
81

>  <Formula> (12)
C19H23N7O2

>  <MolWeight> (12)
381.43162

>  <Cat> (12)
S1134

>  <Name> (12)
AT9283

>  <Synonyms> (12)
N/A

>  <Target> (12)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (12)
Free Base

>  <CAS> (12)
896466-04-9

>  <URL> (12)
http://www.selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (13)
84

>  <Formula> (13)
C31H43N3O8

>  <MolWeight> (13)
585.68842

>  <Cat> (13)
S1141

>  <Name> (13)
17-AAG (Tanespimycin)

>  <Synonyms> (13)
N/A 

>  <Target> (13)
HSP

>  <Form> (13)
Free Base

>  <CAS> (13)
75747-14-7

>  <URL> (13)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
17-DMAG.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (14)
86

>  <Formula> (14)
C32H49ClN4O8

>  <MolWeight> (14)
653.20646

>  <Cat> (14)
S1142

>  <Name> (14)
17-DMAG HCl (Alvespimycin)

>  <Synonyms> (14)
NSC 707545 

>  <Target> (14)
HSP

>  <Form> (14)
Hydrochloride

>  <CAS> (14)
467214-21-7

>  <URL> (14)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
Docetaxel.cdx
csChFnd80/01212111352D

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http://www.selleckchem.com/products/Docetaxel(Taxotere).html

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>  <Form> (16)
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>  <CAS> (16)
33069-62-4

>  <URL> (16)
http://www.selleckchem.com/products/Paclitaxel(Taxol).html

$$$$
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>  <URL> (17)
http://www.selleckchem.com/products/ABT-751.html

$$$$
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    9.4992    2.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0665    3.9888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6971    4.2799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594    0.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    0.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8638    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  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  5  1  0  0  0  0
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 13 14  2  0  0  0  0
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 18 13  1  0  0  0  0
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 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (18)
104

>  <Formula> (18)
C14H15ClN6O

>  <MolWeight> (18)
318.7615

>  <Cat> (18)
S1175

>  <Name> (18)
BIIB021

>  <Synonyms> (18)
CNF2024

>  <Target> (18)
HSP

>  <Form> (18)
Free Base

>  <CAS> (18)
848695-25-0

>  <URL> (18)
http://www.selleckchem.com/products/BIIB021.html

$$$$
NPI2358.cdx
csChFnd80/01212111352D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9616    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984    3.3386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1984    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8290    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2149    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5785    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2885    1.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  2  0  0  0  0
 10 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (19)
105

>  <Formula> (19)
C19H20N4O2

>  <MolWeight> (19)
336.3877

>  <Cat> (19)
S1176

>  <Name> (19)
NPI-2358 (Plinabulin)

>  <Synonyms> (19)
N/A

>  <Target> (19)
VDA

>  <Form> (19)
Free Base

>  <CAS> (19)
714272-27-2

>  <URL> (19)
http://www.selleckchem.com/products/NPI-2358.html

$$$$
XAV-939.cdx
csChFnd80/01212111352D

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.3951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4903    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8903    2.4249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4903    3.8249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  0  0  0  0
 14 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
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (20)
109

>  <Formula> (20)
C14H11F3N2OS

>  <MolWeight> (20)
312.3101496

>  <Cat> (20)
S1180

>  <Name> (20)
XAV-939

>  <Synonyms> (20)
N/A 

>  <Target> (20)
Wnt/beta-catenin

>  <Form> (20)
Free Base

>  <CAS> (20)
284028-89-3

>  <URL> (20)
http://www.selleckchem.com/products/XAV-939.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01212111352D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 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 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10 21  1  6  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (21)
140

>  <Formula> (21)
C19H26O3

>  <MolWeight> (21)
302.40794

>  <Cat> (21)
S1233

>  <Name> (21)
2-Methoxyestradiol

>  <Synonyms> (21)
2-ME2

>  <Target> (21)
HIF

>  <Form> (21)
Free Base

>  <CAS> (21)
362-07-2

>  <URL> (21)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Epothilone A.cdx
csChFnd80/01212111352D

 34 36  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  2  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  2  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  1  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    3.9326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5617    8.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2965    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9491   10.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2847    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0372    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3061    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8241    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    4.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  1  0  0  0
  4  7  1  0  0  0  0
  7  8  1  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  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  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 13  1  0  0  0  0
  6  2  1  0  0  0  0
 10 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 23 26  1  0  0  0  0
 14 27  2  0  0  0  0
  8 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  1  0  0  0
 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
>  <Mol_ID> (22)
204

>  <Formula> (22)
C26H39NO6S

>  <MolWeight> (22)
493.65596

>  <Cat> (22)
S1297

>  <Name> (22)
Epothilone A

>  <Synonyms> (22)
N/A

>  <Target> (22)
Microtubule Associated

>  <Form> (22)
Free Base

>  <CAS> (22)
152044-53-6

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

$$$$
ON-01910.cdx
csChFnd80/01212111352D

 32 32  0  0  0  0  0  0  0  0999 V2000
    6.0664    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (23)
232

>  <Formula> (23)
C21H24NNaO8S

>  <MolWeight> (23)
473.47193

>  <Cat> (23)
S1362

>  <Name> (23)
Rigosertib (ON-01910)

>  <Synonyms> (23)
ON-01910

>  <Target> (23)
PLK

>  <Form> (23)
Sodium Salt

>  <CAS> (23)
1225497-78-8

>  <URL> (23)
http://www.selleckchem.com/products/ON-01910.html

$$$$
EpothiloneB.cdx
csChFnd80/01212111352D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1573   10.9758    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
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   10.2454    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5143    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    4.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
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  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
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 17 13  1  0  0  0  0
  6  2  1  0  0  0  0
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 25 21  2  0  0  0  0
 23 26  1  0  0  0  0
 14 27  2  0  0  0  0
  8 28  1  6  0  0  0
 11 29  1  1  0  0  0
 12 30  1  1  0  0  0
 15 31  2  0  0  0  0
 17 32  1  6  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (24)
234

>  <Formula> (24)
C27H41NO6S

>  <MolWeight> (24)
507.68254

>  <Cat> (24)
S1364

>  <Name> (24)
Patupilone (EPO906, Epothilone B)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Microtubule Associated

>  <Form> (24)
Free Base

>  <CAS> (24)
152044-54-7

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

$$$$
CHIR-99021 (CT99021) hcl.cdx
csChFnd80/01212111352D

 33 35  0  0  0  0  0  0  0  0999 V2000
   10.8798    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8798    3.5415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    2.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    3.5415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0922    5.6415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    2.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716    5.6391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4633    4.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    4.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    7.0391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    7.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6592    1.4516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0286    1.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7286    2.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7919    3.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9378    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7253    7.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    7.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1161    2.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1460    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3047    7.7367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3633    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
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 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  3  0  0  0  0
  8 21  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  8  2  0  0  0  0
  7 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29  7  1  0  0  0  0
 23 30  1  0  0  0  0
 27 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (25)
235

>  <Formula> (25)
C22H19Cl3N8

>  <MolWeight> (25)
501.79886

>  <Cat> (25)
S2924

>  <Name> (25)
CHIR-99021 (CT99021) HCl

>  <Synonyms> (25)
N/A

>  <Target> (25)
PI3K/Akt/mTOR

>  <Form> (25)
Hydrochloride

>  <CAS> (25)
252917-06-9 (free base)

>  <URL> (25)
http://www.selleckchem.com/products/chir-99021-ct99021-hcl.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/01212111352D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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943319-70-8

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    6.0538    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 18  8  1  0  0  0  0
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M  END
>  <Mol_ID> (31)
344

>  <Formula> (31)
C20H20ClN3

>  <MolWeight> (31)
337.8459

>  <Cat> (31)
S1558

>  <Name> (31)
AT7867

>  <Synonyms> (31)
N/A

>  <Target> (31)
Akt, S6 kinase

>  <Form> (31)
Free Base

>  <CAS> (31)
857531-00-1

>  <URL> (31)
http://www.selleckchem.com/products/AT7867.html

$$$$
Fasudil HCl.cdx
csChFnd80/01212111352D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5171    3.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (32)
352

>  <Formula> (32)
C14H18ClN3O2S

>  <MolWeight> (32)
327.82962

>  <Cat> (32)
S1573

>  <Name> (32)
Fasudil HCl (HA-1077)

>  <Synonyms> (32)
AT-877 

>  <Target> (32)
ROCK

>  <Form> (32)
Hydrochloride

>  <CAS> (32)
105628-07-7

>  <URL> (32)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/01212111352D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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
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  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
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 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (33)
384

>  <Formula> (33)
C12H15N3O2S

>  <MolWeight> (33)
265.3314

>  <Cat> (33)
S1640

>  <Name> (33)
Albendazole (Albenza)

>  <Synonyms> (33)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (33)
Microtubule Associated

>  <Form> (33)
Free Base

>  <CAS> (33)
54965-21-8

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/01212111352D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (34)
410

>  <Formula> (34)
C7H7NO3

>  <MolWeight> (34)
153.13538

>  <Cat> (34)
S1681

>  <Name> (34)
Mesalamine (Lialda)

>  <Synonyms> (34)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (34)
I¦ÊB/IKK

>  <Form> (34)
Free Base

>  <CAS> (34)
89-57-6

>  <URL> (34)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

$$$$
DCC-2036.cdx
csChFnd80/01212111352D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.3036    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9367    2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    2.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    2.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5698    4.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3574    4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1449    4.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7780    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1945    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 27 23  2  0  0  0  0
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 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (35)
427

>  <Formula> (35)
C30H28FN7O3

>  <MolWeight> (35)
553.5868232

>  <Cat> (35)
S2634

>  <Name> (35)
DCC-2036 (Rebastinib)

>  <Synonyms> (35)
N/A 

>  <Target> (35)
Bcr-Abl

>  <Form> (35)
Free Base

>  <CAS> (35)
1020172-07-9

>  <URL> (35)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01212111352D

 41 42  0  0  0  0  0  0  0  0999 V2000
    6.0368    8.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7508    9.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7574   10.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    9.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1031    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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492

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Tamoxifen Citrate (Nolvadex)

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Istubal

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Estrogen/progestogen Receptor

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Citrate

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54965-24-1

>  <URL> (36)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

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csChFnd80/01212111352D

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Onalespib (AT13387)

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N/A

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HSP

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Free Base

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912999-49-6

>  <URL> (37)
http://www.selleckchem.com/products/at13387.html

$$$$
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csChFnd80/01212111352D

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551

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>  <Name> (38)
Ganetespib (STA-9090)

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>  <Target> (38)
HSP

>  <Form> (38)
Free Base

>  <CAS> (38)
888216-25-9

>  <URL> (38)
http://www.selleckchem.com/products/ganetespib-sta-9090.html

$$$$
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>  <Synonyms> (39)
N/A

>  <Target> (39)
HSP

>  <Form> (39)
Free Base

>  <CAS> (39)
819812-04-9

>  <URL> (39)
http://www.selleckchem.com/products/kw-2478.html

$$$$
Nocodazole.cdx
csChFnd80/01212111352D

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301.32044

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S2775

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Nocodazole

>  <Synonyms> (40)
N/A 

>  <Target> (40)
Microtubule Associated

>  <Form> (40)
Free Base

>  <CAS> (40)
31430-18-9

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

$$$$
Cabazitaxel.cdx
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596

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Cabazitaxel (Jevtana)

>  <Synonyms> (41)
XRP-6258 

>  <Target> (41)
Microtubule Associated

>  <Form> (41)
Free Base

>  <CAS> (41)
183133-96-2

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

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/01212111352D

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PKC 

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425637-18-9

>  <URL> (42)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
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>  <Mol_ID> (43)
613

>  <Formula> (43)
C24H32ClN5O2

>  <MolWeight> (43)
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Ipatasertib (GDC-0068)

>  <Synonyms> (43)
N/A 

>  <Target> (43)
Akt 

>  <Form> (43)
Free Base

>  <CAS> (43)
1001264-89-6

>  <URL> (43)
http://www.selleckchem.com/products/gdc-0068.html

$$$$
NVP-TAE226.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (44)
624

>  <Formula> (44)
C23H25ClN6O3

>  <MolWeight> (44)
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S2820

>  <Name> (44)
NVP-TAE226

>  <Synonyms> (44)
N/A 

>  <Target> (44)
FAK

>  <Form> (44)
Free Base

>  <CAS> (44)
761437-28-9

>  <URL> (44)
http://www.selleckchem.com/products/nvp-tae226.html

$$$$
Quercetin.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (45)
625

>  <Formula> (45)
C15H10O7

>  <MolWeight> (45)
302.2357

>  <Cat> (45)
S2391

>  <Name> (45)
Quercetin (Sophoretin)

>  <Synonyms> (45)
Meletin, Quercetine

>  <Target> (45)
PI3K, PKC, Src, Sirtuin

>  <Form> (45)
Free Base

>  <CAS> (45)
117-39-5

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

$$$$
KW2449.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (46)
655

>  <Formula> (46)
C20H20N4O

>  <MolWeight> (46)
332.399

>  <Cat> (46)
S2158

>  <Name> (46)
KW 2449

>  <Synonyms> (46)
N/A

>  <Target> (46)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (46)
Free Base

>  <CAS> (46)
1000669-72-6

>  <URL> (46)
http://www.selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (47)
659

>  <Formula> (47)
C9H6O4

>  <MolWeight> (47)
178.14154

>  <Cat> (47)
S2554

>  <Name> (47)
Daphnetin

>  <Synonyms> (47)
N/A 

>  <Target> (47)
DNA/RNA Synthesis

>  <Form> (47)
Free Base

>  <CAS> (47)
486-35-1

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

$$$$
SB743921.cdx
csChFnd80/01212111352D

 38 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (48)
668

>  <Formula> (48)
C31H34Cl2N2O3

>  <MolWeight> (48)
553.51926

>  <Cat> (48)
S2182

>  <Name> (48)
SB743921 HCl

>  <Synonyms> (48)
N/A

>  <Target> (48)
Kinesin

>  <Form> (48)
Hydrochloride

>  <CAS> (48)
940929-33-9

>  <URL> (48)
http://www.selleckchem.com/products/SB-743921.html

$$$$
CYT997.cdx
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>  <Mol_ID> (49)
675

>  <Formula> (49)
C24H30N6O2

>  <MolWeight> (49)
434.534

>  <Cat> (49)
S2195

>  <Name> (49)
CYT997

>  <Synonyms> (49)
N/A

>  <Target> (49)
Microtubule Associated

>  <Form> (49)
Free Base

>  <CAS> (49)
917111-44-5

>  <URL> (49)
http://www.selleckchem.com/products/CYT997.html

$$$$
NVP-BHG712.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (50)
679

>  <Formula> (50)
C26H20F3N7O

>  <MolWeight> (50)
503.4785096

>  <Cat> (50)
S2202

>  <Name> (50)
NVP-BHG712

>  <Synonyms> (50)
N/A

>  <Target> (50)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (50)
Free Base

>  <CAS> (50)
940310-85-0

>  <URL> (50)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
Honokiol.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (51)
733

>  <Formula> (51)
C18H18O2

>  <MolWeight> (51)
266.33432

>  <Cat> (51)
S2310

>  <Name> (51)
Honokiol

>  <Synonyms> (51)
N/A

>  <Target> (51)
Akt, MEK

>  <Form> (51)
Free Base

>  <CAS> (51)
35354-74-6

>  <URL> (51)
http://www.selleckchem.com/products/Honokiol.html

$$$$
Myricitrin.cdx
csChFnd80/01212111352D

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 10  5  1  0  0  0  0
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 17 18  2  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
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 25 26  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
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (52)
746

>  <Formula> (52)
C21H20O12

>  <MolWeight> (52)
464.3763

>  <Cat> (52)
S2327

>  <Name> (52)
Myricitrin (Myricitrine)

>  <Synonyms> (52)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (52)
PKC

>  <Form> (52)
Free Base

>  <CAS> (52)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/01212111352D

 28 32  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 11  1  0  0  0  0
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  6 15  1  0  0  0  0
 15  9  1  0  0  0  0
  9  7  1  1  0  0  0
 15 16  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  2  0  0  0  0
 10 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  6  0  0  0
  1 21  1  6  0  0  0
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  2 23  1  0  0  0  0
  5 24  1  1  0  0  0
  6 25  1  1  0  0  0
 25 26  1  0  0  0  0
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 12 27  1  6  0  0  0
 13 28  1  6  0  0  0
M  END
>  <Mol_ID> (53)
752

>  <Formula> (53)
C20H28O6

>  <MolWeight> (53)
364.43272

>  <Cat> (53)
S2335

>  <Name> (53)
Oridonin (Isodonol)

>  <Synonyms> (53)
Isodonol

>  <Target> (53)
Others

>  <Form> (53)
Free Base

>  <CAS> (53)
28957-04-2

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

$$$$
Imatinib.cdx
csChFnd80/01212111352D

 37 41  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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 14  7  1  0  0  0  0
  9 15  2  0  0  0  0
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 19  9  1  0  0  0  0
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 29 24  1  0  0  0  0
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 36 31  1  0  0  0  0
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M  END
>  <Mol_ID> (54)
790

>  <Formula> (54)
C29H31N7O

>  <MolWeight> (54)
493.60274

>  <Cat> (54)
S2475

>  <Name> (54)
Imatinib (STI571) 

>  <Synonyms> (54)
STI571, Glivec

>  <Form> (54)
Free Base

>  <CAS> (54)
152459-95-5

>  <URL> (54)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$

csChFnd80/01212111352D

 34 34  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
  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
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (55)
802

>  <Formula> (55)
C22H30Cl2N4O6

>  <MolWeight> (55)
517.4028

>  <Cat> (55)
S2485

>  <Name> (55)
Mitoxantrone 2HCl

>  <Synonyms> (55)
NSC-301739

>  <Target> (55)
Topoisomerase

>  <Form> (55)
Dihydrochloride

>  <CAS> (55)
70476-82-3

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

$$$$
fty720.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (56)
839

>  <Formula> (56)
C19H34ClNO2

>  <MolWeight> (56)
343.93176

>  <Cat> (56)
S5002

>  <Name> (56)
Fingolimod (FTY720) HCl

>  <Synonyms> (56)
Gilenia 

>  <Target> (56)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (56)
Hydrochloride

>  <URL> (56)
http://www.selleckchem.com/products/FTY720.html

$$$$
CK-1827452.cdx
csChFnd80/01212111352D

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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  2  0  0  0  0
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M  END
>  <Mol_ID> (57)
855

>  <Formula> (57)
C20H24FN5O3

>  <MolWeight> (57)
401.4346632

>  <Cat> (57)
S2623

>  <Name> (57)
Omecamtiv mecarbil (CK-1827452)

>  <Synonyms> (57)
CK-1827452, CK1827452 

>  <Target> (57)
ATPase

>  <Form> (57)
Free Base

>  <CAS> (57)
873697-71-3

>  <URL> (57)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

$$$$
PP121.cdx
csChFnd80/01212111352D

 24 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (58)
858

>  <Formula> (58)
C17H17N7

>  <MolWeight> (58)
319.36378

>  <Cat> (58)
S2622

>  <Name> (58)
PP-121

>  <Synonyms> (58)
N/A

>  <Target> (58)
DNA-PK, mTOR, PDGF

>  <Form> (58)
Free Base

>  <CAS> (58)
1092788-83-4

>  <URL> (58)
http://www.selleckchem.com/products/PP121.html

$$$$
WP1130.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (59)
861

>  <Formula> (59)
C19H18BrN3O

>  <MolWeight> (59)
384.26972

>  <Cat> (59)
S2243

>  <Name> (59)
Degrasyn (WP1130)

>  <Synonyms> (59)
N/A

>  <Target> (59)
DUB, Bcr-Abl

>  <Form> (59)
Free Base

>  <CAS> (59)
856243-80-6

>  <URL> (59)
http://www.selleckchem.com/products/WP1130.html

$$$$
CCT128930.cdx
csChFnd80/01212111352D

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780757-88-2

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908115-27-5

>  <URL> (66)
http://www.selleckchem.com/products/pf-04929113.html

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Geldanamycin

>  <Synonyms> (67)
N/A

>  <Target> (67)
HSP

>  <Form> (67)
Free Base

>  <CAS> (67)
30562-34-6

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

$$$$
AZ3146.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (68)
933

>  <Formula> (68)
C24H32N6O3

>  <MolWeight> (68)
452.54928

>  <Cat> (68)
S2731

>  <Name> (68)
AZ 3146

>  <Synonyms> (68)
N/A

>  <Target> (68)
Kinesin

>  <Form> (68)
Free Base

>  <CAS> (68)
1124329-14-1

>  <URL> (68)
http://www.selleckchem.com/products/az-3146.html

$$$$
PF-04691502.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (69)
960

>  <Formula> (69)
C22H27N5O4

>  <MolWeight> (69)
425.48088

>  <Cat> (69)
S2743

>  <Name> (69)
PF-04691502

>  <Synonyms> (69)
N/A

>  <Target> (69)
mTOR, PI3K, Akt

>  <Form> (69)
Free Base

>  <CAS> (69)
1013101-36-4 

>  <URL> (69)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Albendazole oxide.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (70)
975

>  <Formula> (70)
C12H15N3O3S

>  <MolWeight> (70)
281.3308

>  <Cat> (70)
S1836

>  <Name> (70)
Albendazole Oxide (Ricobendazole)

>  <Synonyms> (70)
N/A 

>  <Target> (70)
Microtubule Associated

>  <Form> (70)
Free Base

>  <CAS> (70)
54029-12-8

>  <URL> (70)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

$$$$
Cephalomannine.cdx
csChFnd80/01212111352D

 61 66  0  0  0  0  0  0  0  0999 V2000
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71610-00-9

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

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251992-66-2

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38748-32-2

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

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133053-19-7

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869288-64-2

>  <URL> (76)
http://www.selleckchem.com/products/pf-573228.html

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>  <Form> (77)
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778270-11-4

>  <URL> (77)
http://www.selleckchem.com/products/gnf-2.html

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Griseofulvin.cdx
csChFnd80/01212111352D

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>  <Form> (78)
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>  <CAS> (78)
126-07-8

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

$$$$
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1375

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C14H9Cl3N2OS

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68786-66-3

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

$$$$
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    9.7836    5.4535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3532    4.2016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5468    3.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1044    1.7863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (80)
1463

>  <Formula> (80)
C13H16N6O4

>  <MolWeight> (80)
320.30394

>  <Cat> (80)
S1117

>  <Name> (80)
Triciribine

>  <Synonyms> (80)
N/A

>  <Target> (80)
Akt

>  <Form> (80)
Free Base

>  <CAS> (80)
35943-35-2

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

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/01212111352D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0680    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (81)
1465

>  <Formula> (81)
C8H7NO2S

>  <MolWeight> (81)
181.21168

>  <Cat> (81)
S2930

>  <Name> (81)
Pifithrin-¦Ì

>  <Synonyms> (81)
NSC 303580, PFT¦Ì

>  <Target> (81)
p53

>  <Form> (81)
Free Base

>  <CAS> (81)
64984-31-2

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

$$$$
Vinorelbine tartrate.cdx
csChFnd80/01212111352D

 79 85  0  0  0  0  0  0  0  0999 V2000
    6.7339    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7339    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    6.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1587    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1587    8.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9463    9.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4902    7.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3131    8.2866    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4902    9.4192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9213    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7055    8.4329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2749    9.7119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4520   10.8445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0597   10.6981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.0214   12.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1985   13.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8062   13.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368   11.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2778   10.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1197   11.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6271   11.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6755    9.6389    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8395   10.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4069   12.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6749    9.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3725   10.9201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1381   10.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0384    9.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8017    7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.4389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8371    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9460    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (82)
1498

>  <Formula> (82)
C53H66N4O20

>  <MolWeight> (82)
1079.10594

>  <Cat> (82)
S4269

>  <Name> (82)
Vinorelbine Tartrate

>  <Synonyms> (82)
N/A

>  <Target> (82)
Microtubule Associated

>  <Form> (82)
Tartrate

>  <CAS> (82)
125317-39-7

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

$$$$
Vincristine Sulfate.cdx
csChFnd80/01212111352D

 68 75  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (83)
1502

>  <Formula> (83)
C46H58N4O14S

>  <MolWeight> (83)
923.03612

>  <Cat> (83)
S1241

>  <Name> (83)
Vincristine Sulfate

>  <Synonyms> (83)
Leurocristine

>  <Target> (83)
Microtubule Associ

>  <Form> (83)
Free Base

>  <CAS> (83)
2068-78-2

>  <URL> (83)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Meclofenamate sodium.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (84)
1523

>  <Formula> (84)
C14H10Cl2NNaO2

>  <MolWeight> (84)
318.13047

>  <Cat> (84)
S4295

>  <Name> (84)
Meclofenamate sodium

>  <Synonyms> (84)
N/A

>  <Target> (84)
COX

>  <Form> (84)
Sodium Salt

>  <CAS> (84)
6385-02-0

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

$$$$
S1263.cdx
csChFnd80/01212111352D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (85)
1561

>  <Formula> (85)
C22H18Cl2N8

>  <MolWeight> (85)
465.33792

>  <Cat> (85)
S1263

>  <Name> (85)
CHIR-99021 (CT99021)

>  <Synonyms> (85)
N/A

>  <Target> (85)
GSK-3

>  <Form> (85)
Free Base

>  <CAS> (85)
252917-06-9

>  <URL> (85)
http://www.selleckchem.com/products/CHIR-99021.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01212111352D

 41 42  0  0  0  0  0  0  0  0999 V2000
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 29 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 38  1  0  0  0  0
 33 41  1  0  0  0  0
 32 33  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (86)
1563

>  <Formula> (86)
C32H37NO8

>  <MolWeight> (86)
563.63808

>  <Cat> (86)
S1238

>  <Name> (86)
Tamoxifen

>  <Synonyms> (86)
10540-29-1

>  <Target> (86)
Estrogen/progestogen Receptor

>  <Form> (86)
Free Base

>  <CAS> (86)
ICI 46474

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/01212111352D

 67 74  0  0  0  0  0  0  0  0999 V2000
   10.3017    8.1853    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5141    8.8853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2230   10.2547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8307   10.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2613    9.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8456    8.4527    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8860    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5949   10.7589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2634   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    9.5853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6615   11.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3745   10.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7165    5.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3059    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7223    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7223    2.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    8.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3017    5.3853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    4.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    8.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    8.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   12.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    9.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793   10.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   11.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   13.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521   13.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832   14.8778    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    7.3479   15.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744   10.8014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6720   12.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671   12.0096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0570   12.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3776   14.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6237   14.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3623    5.4809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334    6.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9520    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9520    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9520    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3472    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  2 10  1  6  0  0  0
  6 12  1  6  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  1  0  0  0
 14 20  1  1  0  0  0
 14 21  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
 26 27  1  0  0  0  0
 13 28  1  1  0  0  0
 27 29  1  0  0  0  0
 25 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 26  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  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 36  1  0  0  0  0
 39 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 40  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 47 46  1  1  0  0  0
 47 48  1  0  0  0  0
 43 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 49 31  1  6  0  0  0
 48 53  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  1  0  0  0
 53 56  1  6  0  0  0
 51 57  1  6  0  0  0
 47 58  1  0  0  0  0
 51 58  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 59 62  1  0  0  0  0
 49 60  1  1  0  0  0
 11 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 55 56  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  2  0  0  0  0
 63 66  1  0  0  0  0
 63 67  1  0  0  0  0
M  END
>  <Mol_ID> (87)
1564

>  <Formula> (87)
C46H60N4O13S

>  <MolWeight> (87)
909.0526

>  <Cat> (87)
S4505

>  <Name> (87)
Vinblastine sulfate

>  <Synonyms> (87)
NSC49842

>  <Target> (87)
Microtubule Associated

>  <Form> (87)
Free Base

>  <CAS> (87)
143-67-9

>  <URL> (87)
http://www.selleckchem.com/products/vinblastine-sulfate.html

$$$$
i-Inositol.cdx
csChFnd80/01212111352D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  6  8  1  1  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  2 11  1  6  0  0  0
  4 12  1  6  0  0  0
M  END
>  <Mol_ID> (88)
1579

>  <Formula> (88)
C6H12O6

>  <MolWeight> (88)
180.15588

>  <Cat> (88)
S4530

>  <Name> (88)
i-Inositol

>  <Synonyms> (88)
myo-inositol

>  <Target> (88)
Others

>  <Form> (88)
Free Base

>  <CAS> (88)
87-89-8

>  <URL> (88)
http://www.selleckchem.com/products/i-inositol.html

$$$$
Methylene Blue.cdx
csChFnd80/01212111352D

 21 22  0  0  0  0  0  0  0  0999 V2000
    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
    6.0622    1.4000    0.0000 S   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
    6.0622    4.2000    0.0000 N   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
    7.2746    2.1000    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
    7.2746    3.5000    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
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    3.0335    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (89)
1599

>  <Formula> (89)
C16H18ClN3S

>  <MolWeight> (89)
319.85222

>  <Cat> (89)
S4535

>  <Name> (89)
Methylene Blue

>  <Synonyms> (89)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (89)
Others

>  <Form> (89)
Free Base

>  <CAS> (89)
61-73-4

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

$$$$
NS-187.cdx
csChFnd80/01212111352D

 42 46  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240    6.2854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.9830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0910    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4604    1.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1604    3.0217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2236    4.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5479    3.1676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.4179    2.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0865    4.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (90)
1745

>  <Formula> (90)
C30H31F3N8O

>  <MolWeight> (90)
576.6153496

>  <Cat> (90)
S1369

>  <Name> (90)
Bafetinib (INNO-406)

>  <Synonyms> (90)
NS-187

>  <Target> (90)
Abl,Lyn

>  <Form> (90)
Free Base

>  <CAS> (90)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/01212111352D

 47 51  0  0  0  0  0  0  0  0999 V2000
    9.7222   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   18.4266   11.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4958    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.9950    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7161    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5406   10.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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 39 41  1  0  0  0  0
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 14 43  1  0  0  0  0
 19 44  1  0  0  0  0
 26 45  1  0  0  0  0
 45 34  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (91)
1748

>  <Formula> (91)
C37H42Cl2N2O6

>  <MolWeight> (91)
681.64518

>  <Cat> (91)
S3609

>  <Name> (91)
Berbamine (dihydrochloride)

>  <Synonyms> (91)
N/A

>  <Target> (91)
NF-¦ÊB,bcr/abl

>  <Form> (91)
dihydrochloride

>  <CAS> (91)
6078-17-7

>  <URL> (91)
http://www.selleckchem.com/products/berbamine-dihydrochloride.html

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/01212111352D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    3.5111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    1.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2319    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    4.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (92)
1761

>  <Formula> (92)
C4H7NO2

>  <MolWeight> (92)
101.10388

>  <Cat> (92)
S3699

>  <Name> (92)
2,3-Butanedione-2-monoxime

>  <Synonyms> (92)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (92)
skeletal muscle myosin-II

>  <Form> (92)
free base

>  <CAS> (92)
57-71-6

>  <URL> (92)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/01212111352D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6085    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    4.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4093    4.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0326    4.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8210    6.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4351    0.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6557    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (93)
1772

>  <Formula> (93)
C9H10O4

>  <MolWeight> (93)
182.1733

>  <Cat> (93)
S3630

>  <Name> (93)
Methyl Vanillate

>  <Synonyms> (93)
N/A

>  <Target> (93)
Wnt/¦Â-Catenin

>  <Form> (93)
free base

>  <CAS> (93)
3943-74-6

>  <URL> (93)
http://www.selleckchem.com/products/methyl-vanillate.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/01212111352D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    1.2124    1.4000    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    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (94)
1788

>  <Formula> (94)
C11H8O3

>  <MolWeight> (94)
188.17942

>  <Cat> (94)
S3661

>  <Name> (94)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (94)
N/A

>  <Target> (94)
PKC

>  <Form> (94)
free base

>  <CAS> (94)
2348-82-5

>  <URL> (94)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3725 ELR-510444.cdx
csChFnd80/01212111352D

 25 27  0  0  0  0  0  0  0  0999 V2000
   12.3142    3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3142    4.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7478    4.4630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5359    2.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0993    2.3676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3985    3.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9536    5.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (95)
1805

>  <Formula> (95)
C19H16N2O2S2

>  <MolWeight> (95)
368.47254

>  <Cat> (95)
S3725

>  <Name> (95)
ELR-510444

>  <Synonyms> (95)
N/A

>  <Target> (95)
microtubule

>  <Form> (95)
free base

>  <CAS> (95)
1233948-35-0

>  <URL> (95)
http://www.selleckchem.com/products/elr-510444.html

$$$$
S3714 Lifitegrast.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (96)
1832

>  <Formula> (96)
C29H24Cl2N2O7S

>  <MolWeight> (96)
615.48106

>  <Cat> (96)
S3714

>  <Name> (96)
Lifitegrast

>  <Synonyms> (96)
SAR1118

>  <Target> (96)
Integrin

>  <Form> (96)
free base

>  <CAS> (96)
1025967-78-5

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

$$$$
Colchicine.cdx
csChFnd80/01212111352D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (97)
1866

>  <Formula> (97)
C22H25NO6

>  <MolWeight> (97)
399.437

>  <Cat> (97)
S2284

>  <Name> (97)
Colchicine

>  <Synonyms> (97)
Colchineos, Colchisol, Colcin

>  <Target> (97)
Microtubule Associated inhibitor 

>  <Form> (97)
free base

>  <CAS> (97)
64-86-8

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

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/01212111352D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 11  4  2  0  0  0  0
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (98)
1892

>  <Formula> (98)
C19H20O5

>  <MolWeight> (98)
328.3591

>  <Cat> (98)
S3819

>  <Name> (98)
Decursinol angelate

>  <Synonyms> (98)
N/A

>  <Target> (98)
PKC

>  <Form> (98)
free base

>  <CAS> (98)
130848-06-5

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/01212111352D

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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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 14  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
 26 31  1  1  0  0  0
 25 32  1  6  0  0  0
 24 33  1  1  0  0  0
M  END
>  <Mol_ID> (99)
1909

>  <Formula> (99)
C21H20O12

>  <MolWeight> (99)
464.3763

>  <Cat> (99)
S3842

>  <Name> (99)
Isoquercitrin

>  <Synonyms> (99)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (99)
Wnt/¦Â-catenin

>  <Form> (99)
free base

>  <CAS> (99)
482-35-9

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

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/01212111352D

 61 67  0  0  0  0  0  0  0  0999 V2000
   16.6230    5.4612    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7876    6.5983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0308    5.6314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8706    4.4325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    4.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4572    6.0801    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3291    7.8902    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3480    4.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5879    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7545    3.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1807    6.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3643    4.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7291    8.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8030    9.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9402    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1393    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2517    1.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6844    8.0061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8348    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0692   10.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4699    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2483    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557    8.0061    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4699   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412    8.6946    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2557    6.6216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0412   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    8.0061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   10.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6278    8.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6278   10.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3700    5.2523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
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  2 60  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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  4  8  1  0  0  0  0
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  6 12  1  6  0  0  0
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  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  2  0  0  0  0
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 14 24  2  0  0  0  0
 18 25  1  0  0  0  0
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 25 32  2  0  0  0  0
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 28 32  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 37 40  1  0  0  0  0
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 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  6  0  0  0
 43 45  1  0  0  0  0
 43 46  1  1  0  0  0
 45 47  2  0  0  0  0
 45 48  1  0  0  0  0
 46 49  1  0  0  0  0
 47 50  1  0  0  0  0
 48 51  2  0  0  0  0
 49 52  1  0  0  0  0
 49 53  2  0  0  0  0
 50 54  2  0  0  0  0
 51 54  1  0  0  0  0
 52 55  2  0  0  0  0
 52 56  1  0  0  0  0
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 57 59  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (100)
1938

>  <Formula> (100)
C45H49NO13

>  <MolWeight> (100)
811.86946

>  <Cat> (100)
S3933

>  <Name> (100)
10-deacetyl-paclitaxel

>  <Synonyms> (100)
10-DAT, Deacetyl Paclitaxel

>  <Target> (100)
Others

>  <Form> (100)
free base

>  <CAS> (100)
78432-77-6

>  <URL> (100)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01212111352D

 58 65  0  0  0  0  0  0  0  0999 V2000
    9.6984    9.2105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4740    8.5036    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9007    8.5163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4602    9.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6984   10.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4740    7.0593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2549    9.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480    9.2364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9007    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9090   11.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7465    6.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2584    6.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0158    8.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1480   10.6287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (101)
1980

>  <Formula> (101)
C41H68O14

>  <MolWeight> (101)
784.97022

>  <Cat> (101)
S3901

>  <Name> (101)
Astragaloside IV

>  <Synonyms> (101)
AST-IV, AS-IV

>  <Target> (101)
Others

>  <Form> (101)
free base

>  <CAS> (101)
84687-43-4

>  <URL> (101)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
INCB28060.cdx
csChFnd80/01212111352D

 31 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (102)
2003

>  <Formula> (102)
C23H17FN6O

>  <MolWeight> (102)
412.4190832

>  <Cat> (102)
S2788

>  <Name> (102)
Capmatinib (INCB28060)

>  <Synonyms> (102)
N/A

>  <Target> (102)
c-Met 

>  <Form> (102)
Free Base

>  <CAS> (102)
1029712-80-8

>  <URL> (102)
http://www.selleckchem.com/products/incb28060.html

$$$$
KY02111.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (103)
2016

>  <Formula> (103)
C18H17ClN2O3S

>  <MolWeight> (103)
376.85718

>  <Cat> (103)
S7096

>  <Name> (103)
KY02111

>  <Synonyms> (103)
N/A

>  <Target> (103)
Wnt/beta-catenin

>  <Form> (103)
Free Base

>  <CAS> (103)
1118807-13-8

>  <URL> (103)
https://www.selleckchem.com/products/ky02111.html

$$$$
IPA-3.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (104)
2017

>  <Formula> (104)
C20H14O2S2

>  <MolWeight> (104)
350.45396

>  <Cat> (104)
S7093

>  <Name> (104)
IPA-3

>  <Synonyms> (104)
N/A

>  <Target> (104)
PAK

>  <Form> (104)
Free Base

>  <CAS> (104)
42521-82-4

>  <URL> (104)
https://www.selleckchem.com/products/ipa-3.html

$$$$
P505-15.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (105)
2022

>  <Formula> (105)
C19H24ClN9O

>  <MolWeight> (105)
429.90656

>  <Cat> (105)
S8032

>  <Name> (105)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (105)
N/A

>  <Target> (105)
Syk

>  <Form> (105)
Hydrochloride

>  <CAS> (105)
1370261-97-4,1370261-96-3(free base)

>  <URL> (105)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
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   16.3196    6.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5283    5.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    7.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    3.4893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    2.0936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5283    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1108    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
  1 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
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 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (106)
2027

>  <Formula> (106)
C29H37N5O3

>  <MolWeight> (106)
503.63578

>  <Cat> (106)
S7122

>  <Name> (106)
XL888

>  <Synonyms> (106)
N/A

>  <Target> (106)
HSP (e.g. HSP90)

>  <Form> (106)
Free Base

>  <CAS> (106)
1149705-71-4

>  <URL> (106)
https://www.selleckchem.com/products/xl888.html

$$$$
GZD824.cdx
csChFnd80/01212111352D

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.1988    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0988    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7988    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
  7 30  3  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  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 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  2  0  0  0  0
 41 44  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <Mol_ID> (107)
2046

>  <Formula> (107)
C31H35F3N6O7S2

>  <MolWeight> (107)
724.7708096

>  <Cat> (107)
S7194

>  <Name> (107)
GZD824 Dimesylate 

>  <Synonyms> (107)
N/A

>  <Target> (107)
Bcr-Abl

>  <Form> (107)
Mesylate

>  <CAS> (107)
1421783-64-3

>  <URL> (107)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/01212111352D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4645    4.9569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8377    4.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.0568    6.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
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 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (108)
2048

>  <Formula> (108)
C16H14N4O2S

>  <MolWeight> (108)
326.37296

>  <Cat> (108)
S7195

>  <Name> (108)
RKI-1447

>  <Synonyms> (108)
N/A

>  <Target> (108)
ROCK

>  <Form> (108)
Free Base

>  <CAS> (108)
1342278-01-6

>  <URL> (108)
http://www.selleckchem.com/products/rki-1447.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/01212111352D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7917    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.3356    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9927    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
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9 14  1  6  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
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 20 15  1  0  0  0  0
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 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 11 26  2  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  2  1  0  0  0  0
 10 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (109)
2063

>  <Formula> (109)
C21H20O8

>  <MolWeight> (109)
400.3787

>  <Cat> (109)
S2254

>  <Name> (109)
4'-Demethylepipodophyllotoxin

>  <Synonyms> (109)
DMEP

>  <Target> (109)
Microtubule Associated

>  <Form> (109)
free base

>  <CAS> (109)
6559-91-7

>  <URL> (109)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

$$$$
S5006 Teprenone.cdx
csChFnd80/01212111352D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
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  6  8  1  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
2196

>  <Formula> (110)
C23H38O

>  <MolWeight> (110)
330.54722

>  <Cat> (110)
S5006

>  <Name> (110)
Teprenone

>  <Synonyms> (110)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (110)
Others

>  <CAS> (110)
6809-52-5

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

$$$$
S4953 Usnic acid.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (111)
2213

>  <Formula> (111)
C18H16O7

>  <MolWeight> (111)
344.31544

>  <Cat> (111)
S4953

>  <Name> (111)
Usnic acid

>  <Synonyms> (111)
Usniacin

>  <Target> (111)
Others

>  <Form> (111)
free base

>  <CAS> (111)
125-46-2

>  <URL> (111)
http://selleckchem.com/products/usnic-acid.html

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (112)
2271

>  <Formula> (112)
C47H80O18

>  <MolWeight> (112)
933.1273

>  <Cat> (112)
S3785

>  <Name> (112)
Notoginsenoside R1

>  <Synonyms> (112)
Sanchinoside R1

>  <Target> (112)
Others

>  <Form> (112)
free base

>  <CAS> (112)
80418-24-2

>  <URL> (112)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3970 Vindoline.cdx
csChFnd80/01212111352D

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    1.2187    3.7889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8983    3.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6796    5.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1570    5.2670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 20  1  0  0  0  0
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 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (113)
2275

>  <Formula> (113)
C25H32N2O6

>  <MolWeight> (113)
456.53138

>  <Cat> (113)
S3970

>  <Name> (113)
Vindoline

>  <Synonyms> (113)
N/A

>  <Target> (113)
Microtubule Associated

>  <Form> (113)
free base

>  <CAS> (113)
2182-14-1

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01212111352D

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4702    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1571    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5820    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3115    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0026    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  1  9  1  1  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
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 15 10  1  0  0  0  0
 14 16  1  1  0  0  0
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 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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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  6  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  6  0  0  0
  2 34  1  6  0  0  0
  3 35  1  6  0  0  0
 11 36  1  6  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 19 39  1  0  0  0  0
 23 40  2  0  0  0  0
 31 41  1  0  0  0  0
 30 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
M  END
>  <Mol_ID> (114)
2284

>  <Formula> (114)
C29H36O15

>  <MolWeight> (114)
624.58714

>  <Cat> (114)
S2323

>  <Name> (114)
Methyl-Hesperidin

>  <Form> (114)
free base

>  <CAS> (114)
 11013-97-1

$$$$
S3810 Scutellarin.cdx
csChFnd80/01212111352D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.5054    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5054    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    2.0260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    2.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7095    6.2883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    4.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2886    6.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    2.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    2.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    2.7969    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5771    2.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5771    0.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4211    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0509    2.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  2  0  0  0  0
  9 13  1  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  1  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  6  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  1  0  0  0
 25 30  1  1  0  0  0
 25 28  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (115)
2289

>  <Formula> (115)
C21H18O12

>  <MolWeight> (115)
462.36042

>  <Cat> (115)
S3810

>  <Name> (115)
Scutellarin

>  <Synonyms> (115)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (115)
Others

>  <Form> (115)
free base

>  <CAS> (115)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/01212111352D

 27 26  0  0  0  0  0  0  0  0999 V2000
   23.5990    4.5249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8990    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.3865    5.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2990    5.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   17.9990    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (116)
2297

>  <Formula> (116)
C21H46NO4P

>  <MolWeight> (116)
407.568001

>  <Cat> (116)
S3056

>  <Name> (116)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (116)
N/A

>  <Target> (116)
Akt

>  <Form> (116)
Free Base

>  <CAS> (116)
58066-85-6

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

$$$$
RGD peptide.cdx
csChFnd80/01212111352D

 24 23  0  0  0  0  0  0  0  0999 V2000
    8.4860    2.1137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2738    1.4121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    1.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6982    4.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9106    2.1092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8581    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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2320

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C12H22N6O6

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RGD (Arg-Gly-Asp) Peptides

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Arginine-Glycine-Aspartic Acid

>  <Target> (117)
Integrase

>  <Form> (117)
Free Base

>  <CAS> (117)
99896-85-2

>  <URL> (117)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

$$$$
AZD5363.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (118)
2334

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C21H25ClN6O2

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S8019

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AZD5363

>  <Synonyms> (118)
N/A

>  <Target> (118)
Akt

>  <Form> (118)
Free Base

>  <CAS> (118)
1143532-39-1

>  <URL> (118)
http://www.selleckchem.com/products/azd5363.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/01212111352D

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>  <Mol_ID> (119)
2349

>  <Formula> (119)
C26H21N3O3

>  <MolWeight> (119)
423.46324

>  <Cat> (119)
S7086

>  <Name> (119)
IWR-1-endo

>  <Synonyms> (119)
IWR-1

>  <Target> (119)
Wnt/beta-catenin

>  <Form> (119)
Free Base

>  <CAS> (119)
1127442-82-3

>  <URL> (119)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (120)
2369

>  <Formula> (120)
C18H16N2O2

>  <MolWeight> (120)
292.33184

>  <Cat> (120)
S7099

>  <Name> (120)
(-)-Blebbistatin

>  <Synonyms> (120)
N/A

>  <Target> (120)
ATPase

>  <Form> (120)
Free Base

>  <CAS> (120)
856925-71-8

>  <URL> (120)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
S1037.cdx
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M  END
>  <Mol_ID> (121)
2385

>  <Formula> (121)
C25H52NO4P

>  <MolWeight> (121)
461.658441

>  <Cat> (121)
S1037

>  <Name> (121)
Perifosine (KRX-0401)

>  <Synonyms> (121)
NSC639966

>  <Target> (121)
Akt

>  <Form> (121)
Free Base

>  <CAS> (121)
157716-52-4

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

$$$$
Flubendazole.cdx
csChFnd80/01212111352D

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 13 14  2  0  0  0  0
 14  4  1  0  0  0  0
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 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (122)
2466

>  <Formula> (122)
C16H12FN3O3

>  <MolWeight> (122)
313.2831832

>  <Cat> (122)
S1837

>  <Name> (122)
Flubendazole (Flutelmium)

>  <Synonyms> (122)
N/A 

>  <Target> (122)
Others

>  <Form> (122)
Free Base

>  <CAS> (122)
31430-15-6

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (123)
2476

>  <Formula> (123)
C25H21N3O

>  <MolWeight> (123)
379.45374

>  <Cat> (123)
S7037

>  <Name> (123)
Wnt-C59 (C59)

>  <Synonyms> (123)
N/A

>  <Target> (123)
Wnt/beta-catenin

>  <Form> (123)
Free Base

>  <CAS> (123)
1243243-89-1

>  <URL> (123)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
SC79.cdx
csChFnd80/01212111352D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (124)
2492

>  <Formula> (124)
C17H17ClN2O5

>  <MolWeight> (124)
364.78028

>  <Cat> (124)
S7863

>  <Name> (124)
SC79

>  <Synonyms> (124)
N/A

>  <Target> (124)
Akt

>  <Form> (124)
Free Base

>  <CAS> (124)
305834-79-1

>  <URL> (124)
http://www.selleckchem.com/products/sc79.html

$$$$
LM-3632.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (125)
2498

>  <Formula> (125)
C31H45F6N9O12

>  <MolWeight> (125)
849.7325192

>  <Cat> (125)
S7844

>  <Name> (125)
Cyclo(RGDyK)

>  <Synonyms> (125)
N/A

>  <Target> (125)
Integrin

>  <Form> (125)
ditrifluoroacetic acid

>  <CAS> (125)
250612-42-1

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

$$$$
Dyngo-4a.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (126)
2504

>  <Formula> (126)
C18H14N2O5

>  <MolWeight> (126)
338.31416

>  <Cat> (126)
S7163

>  <Name> (126)
Dyngo-4a

>  <Synonyms> (126)
N/A

>  <Target> (126)
Dynamin

>  <Form> (126)
Free Base

>  <CAS> (126)
1256493-34-1

>  <URL> (126)
http://www.selleckchem.com/products/dyngo-4a.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/01212111352D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
2531

>  <Formula> (127)
C11H10N2O2S

>  <MolWeight> (127)
234.2743

>  <Cat> (127)
S7914

>  <Name> (127)
Isoxazole 9 (ISX-9)

>  <Synonyms> (127)
N/A

>  <Target> (127)
Others

>  <Form> (127)
Free Base

>  <CAS> (127)
832115-62-5

>  <URL> (127)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
MMAE.cdx
csChFnd80/01212111352D

 52 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (128)
2533

>  <Formula> (128)
C39H67N5O7

>  <MolWeight> (128)
717.97858

>  <Cat> (128)
S7721

>  <Name> (128)
Monomethyl auristatin E (MMAE)

>  <Synonyms> (128)
N/A

>  <Target> (128)
Microtubule Associated

>  <Form> (128)
Free Base

>  <CAS> (128)
474645-27-7

>  <URL> (128)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

$$$$
ONC201.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (129)
2550

>  <Formula> (129)
C24H26N4O

>  <MolWeight> (129)
386.48944

>  <Cat> (129)
S7963

>  <Name> (129)
TIC10

>  <Synonyms> (129)
N/A

>  <Target> (129)
Akt

>  <Form> (129)
Free Base

>  <CAS> (129)
1616632-77-9

>  <URL> (129)
http://www.selleck.cn/products/tic-10.html

$$$$
Akti-1.cdx
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>  <Mol_ID> (130)
2551

>  <Formula> (130)
C34H29N7O

>  <MolWeight> (130)
551.64036

>  <Cat> (130)
S7776

>  <Name> (130)
Akti-1/2

>  <Synonyms> (130)
N/A

>  <Target> (130)
Akt

>  <Form> (130)
Free Base

>  <CAS> (130)
612847-09-3

>  <URL> (130)
http://www.selleck.cn/products/akti-1-2.html

$$$$
TIC10.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (131)
2623

>  <Formula> (131)
C24H26N4O

>  <MolWeight> (131)
386.48944

>  <Cat> (131)
S7127

>  <Name> (131)
TIC10 analogue

>  <Synonyms> (131)
TRAIL-inducing Compound 10

>  <Target> (131)
Akt

>  <Form> (131)
Free Base

>  <CAS> (131)
41276-02-2

>  <URL> (131)
http://www.selleckchem.com/products/tic10.html

$$$$

csChFnd80/01212111352D

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M  END
>  <Mol_ID> (132)
2626

>  <Formula> (132)
C18H19Na2O8P

>  <MolWeight> (132)
440.291961

>  <Cat> (132)
S7204

>  <Name> (132)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Synonyms> (132)
N/A

>  <Target> (132)
Microtubule Associated

>  <Form> (132)
Disodium salt

>  <CAS> (132)
168555-66-6

>  <URL> (132)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

$$$$
dynasore .cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (133)
2635

>  <Formula> (133)
C18H14N2O4

>  <MolWeight> (133)
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>  <Cat> (133)
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>  <Name> (133)
Dynasore

>  <Synonyms> (133)
N/A

>  <Target> (133)
Dynamin

>  <Form> (133)
Free Base

>  <CAS> (133)
304448-55-3

>  <URL> (133)
http://www.selleckchem.com/products/dynasore.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (134)
2640

>  <Formula> (134)
C26H27N5O5S2

>  <MolWeight> (134)
553.65308

>  <Cat> (134)
S7207

>  <Name> (134)
Ro 31-8220 Mesylate

>  <Synonyms> (134)
Bisindolylmaleimide IX Mesylate

>  <Target> (134)
PKC

>  <Form> (134)
Mesylate

>  <CAS> (134)
138489-18-6

>  <URL> (134)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/01212111352D

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2669

>  <Formula> (135)
C34H48Na2O7

>  <MolWeight> (135)
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>  <Name> (135)
Carbenoxolone disodiuM

>  <Synonyms> (135)
N/A

>  <Target> (135)
Others

>  <Form> (135)
disodiuM

>  <CAS> (135)
7421-40-1

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

$$$$
Mdivi-1.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (136)
2724

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C15H10Cl2N2O2S

>  <MolWeight> (136)
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>  <Cat> (136)
S7162

>  <Name> (136)
Mdivi-1

>  <Synonyms> (136)
N/A

>  <Target> (136)
Dynamin

>  <Form> (136)
Free Base

>  <CAS> (136)
338967-87-6

>  <URL> (136)
http://www.selleckchem.com/products/mdivi-1.html

$$$$
PF-562271.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (137)
2732

>  <Formula> (137)
C21H21ClF3N7O3S

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S7357

>  <Name> (137)
PF-562271 HCl

>  <Synonyms> (137)
N/A

>  <Target> (137)
FAK

>  <Form> (137)
Hydrochloride

>  <URL> (137)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
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csChFnd80/01212111352D

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2741

>  <Formula> (138)
C23H20N6O

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396.4445

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S7143

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LGK-974

>  <Synonyms> (138)
N/A

>  <Target> (138)
Wnt/beta-catenin

>  <Form> (138)
Free Base

>  <CAS> (138)
1243244-14-5

>  <URL> (138)
http://www.selleckchem.com/products/lgk-974.html

$$$$
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csChFnd80/01212111352D

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>  <Mol_ID> (139)
2747

>  <Formula> (139)
C25H20N4O2S2

>  <MolWeight> (139)
472.5819

>  <Cat> (139)
S7301

>  <Name> (139)
IWP L6

>  <Synonyms> (139)
Porcn Inhibitor III

>  <Target> (139)
Wnt/beta-catenin

>  <Form> (139)
Free Base

>  <CAS> (139)
1427782-89-5

>  <URL> (139)
http://www.selleckchem.com/products/iwp-l6.html

$$$$
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>  <Mol_ID> (140)
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>  <Name> (140)
CW069

>  <Synonyms> (140)
N/A

>  <Target> (140)
Microtubule Associated

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/cw069.html

$$$$
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747413-08-7

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http://www.selleckchem.com/products/ver-50589.html

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313553-47-8

>  <URL> (152)
http://www.selleckchem.com/products/inh1.html

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>  <URL> (153)
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1001753-24-7

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http://www.selleckchem.com/products/inh6.html

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898044-15-0

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http://www.selleckchem.com/products/pf-3758309.html

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Free Base

>  <CAS> (156)
108409-83-2

>  <URL> (156)
http://www.selleckchem.com/products/fh535.html

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260415-63-2

>  <URL> (157)
http://www.selleckchem.com/products/pd173955.html

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136194-77-9

>  <URL> (158)
http://www.selleckchem.com/products/go6976.html

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/01212111352D

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2877

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C20H18FN5O2

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HSP990 (NVP-HSP990)

>  <Synonyms> (159)
N/A

>  <Target> (159)
HSP (e.g. HSP90)

>  <Form> (159)
Free Base

>  <CAS> (159)
934343-74-5

>  <URL> (159)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

$$$$
ARQ 621.cdx
csChFnd80/01212111352D

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2885

>  <Formula> (160)
C28H24Cl2FN5O2

>  <MolWeight> (160)
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>  <Cat> (160)
S7355

>  <Name> (160)
ARQ 621

>  <Synonyms> (160)
N/A

>  <Target> (160)
Kinesin

>  <Form> (160)
Free Base

>  <CAS> (160)
1095253-39-6

>  <URL> (160)
http://www.selleckchem.com/products/arq-621.html

$$$$
URMC-099.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (161)
2907

>  <Formula> (161)
C27H27N5

>  <MolWeight> (161)
421.53678

>  <Cat> (161)
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>  <Name> (161)
URMC-099

>  <Synonyms> (161)
N/A

>  <Target> (161)
Others

>  <Form> (161)
Free Base

>  <CAS> (161)
1229582-33-5

>  <URL> (161)
http://www.selleckchem.com/products/urmc-099.html

$$$$
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>  <Mol_ID> (170)
3006

>  <Formula> (170)
C22H28ClN7O3S

>  <MolWeight> (170)
506.02082

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S7782

>  <Name> (170)
Dasatinib Monohydrate

>  <Synonyms> (170)
BMS-354825 Monohydrate

>  <Target> (170)
Src

>  <Form> (170)
Monohydrate

>  <CAS> (170)
863127-77-9

>  <URL> (170)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

$$$$
FRAX597.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (171)
3018

>  <Formula> (171)
C29H28ClN7OS

>  <MolWeight> (171)
558.09692

>  <Cat> (171)
S7271

>  <Name> (171)
FRAX597

>  <Synonyms> (171)
N/A

>  <Target> (171)
PAK

>  <Form> (171)
Free Base

>  <CAS> (171)
1286739-19-2

>  <URL> (171)
http://www.selleckchem.com/products/frax597.html

$$$$
Combretastatin A4.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (172)
3019

>  <Formula> (172)
C18H20O5

>  <MolWeight> (172)
316.3484

>  <Cat> (172)
S7783

>  <Name> (172)
Combretastatin A4

>  <Synonyms> (172)
N/A

>  <Target> (172)
Microtubule Associated

>  <Form> (172)
Free Base

>  <CAS> (172)
117048-59-6

>  <URL> (172)
http://www.selleckchem.com/products/combretastatin-a4.html

$$$$
Afuresertib £¨GSK2110183).cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (173)
3027

>  <Formula> (173)
C18H17Cl2FN4OS

>  <MolWeight> (173)
427.3231832

>  <Cat> (173)
S7521

>  <Name> (173)
Afuresertib (GSK2110183)

>  <Synonyms> (173)
N/A

>  <Target> (173)
Akt

>  <Form> (173)
Free Base

>  <CAS> (173)
1047644-62-1

>  <URL> (173)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
KNK437.cdx
csChFnd80/01212111352D

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HSP (e.g. HSP90)

>  <Form> (174)
Free Base

>  <CAS> (174)
218924-25-5

>  <URL> (174)
http://www.selleckchem.com/products/knk437.html

$$$$
cyclo(RGDfK).cdx
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>  <Mol_ID> (175)
3042

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C29H42F3N9O9

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Cyclo (-RGDfK)

>  <Synonyms> (175)
N/A

>  <Target> (175)
Integrin

>  <Form> (175)
Free Base

>  <CAS> (175)
161552-03-0

>  <URL> (175)
http://www.selleckchem.com/products/cyclo-rgdfk.html

$$$$
VER155008.cdx
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>  <Form> (176)
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>  <CAS> (176)
1134156-31-2

>  <URL> (176)
http://www.selleckchem.com/products/ver155008.html

$$$$
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M  END
>  <Mol_ID> (177)
3063

>  <Formula> (177)
C29H41F3N8O9

>  <MolWeight> (177)
702.6792496

>  <Cat> (177)
S7077

>  <Name> (177)
Cilengitide trifluoroacetate

>  <Synonyms> (177)
EMD 121974, NSC 707544

>  <Target> (177)
Integrin

>  <Form> (177)
Trifluoroacetat

>  <CAS> (177)
188968-51-6

>  <URL> (177)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/01212111352D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
3109

>  <Formula> (178)
C27H21F3N8O

>  <MolWeight> (178)
530.5038496

>  <Cat> (178)
S8134

>  <Name> (178)
Radotinib

>  <Synonyms> (178)
IY-5511

>  <Target> (178)
Bcr-Abl

>  <Form> (178)
Free Base

>  <CAS> (178)
926037-48-1

>  <URL> (178)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/01212111352D

 25 24  0  0  0  0  0  0  0  0999 V2000
    9.9244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <Mol_ID> (179)
3110

>  <Formula> (179)
C15H23ClFN3O4S

>  <MolWeight> (179)
395.8772232

>  <Cat> (179)
S7995

>  <Name> (179)
Ripasudil (K-115)

>  <Synonyms> (179)
N/A

>  <Target> (179)
ROCK

>  <Form> (179)
Hydrochloride dihydrate

>  <CAS> (179)
887375-67-9

>  <URL> (179)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
GNF-7.cdx
csChFnd80/01212111352D

 40 44  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
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 26 21  1  0  0  0  0
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 36 30  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (180)
3115

>  <Formula> (180)
C28H24F3N7O2

>  <MolWeight> (180)
547.5310696

>  <Cat> (180)
S8140

>  <Name> (180)
GNF-7

>  <Synonyms> (180)
N/A

>  <Target> (180)
Bcr-Abl

>  <Form> (180)
Free Base

>  <CAS> (180)
839706-07-9

>  <URL> (180)
http://www.selleckchem.com/products/gnf-7.html

$$$$
Cucurbitacin B.cdx
csChFnd80/01212111352D

 43 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (181)
3117

>  <Formula> (181)
C32H46O8

>  <MolWeight> (181)
558.70284

>  <Cat> (181)
S8165

>  <Name> (181)
Cucurbitacin B

>  <Synonyms> (181)
N/A

>  <Target> (181)
Microtubule Associated

>  <Form> (181)
Free Base

>  <CAS> (181)
6199-67-3

>  <URL> (181)
http://www.selleckchem.com/products/cucurbitacin-b.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (182)
3121

>  <Formula> (182)
C26H24N6O2

>  <MolWeight> (182)
452.50776

>  <Cat> (182)
S7936

>  <Name> (182)
KD025 (SLx-2119)

>  <Synonyms> (182)
N/A

>  <Target> (182)
ROCK

>  <Form> (182)
Free Base

>  <CAS> (182)
911417-87-3

>  <URL> (182)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
GSK2141795.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (183)
3138

>  <Formula> (183)
C18H16Cl2F2N4O2

>  <MolWeight> (183)
429.2480464

>  <Cat> (183)
S7492

>  <Name> (183)
Uprosertib (GSK2141795)

>  <Synonyms> (183)
GSK795

>  <Target> (183)
Akt

>  <Form> (183)
Free Base

>  <CAS> (183)
1047634-65-0

>  <URL> (183)
http://www.selleckchem.com/products/gsk2141795.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (184)
3139

>  <Formula> (184)
C19H19ClN4O3

>  <MolWeight> (184)
386.83216

>  <Cat> (184)
S8178

>  <Name> (184)
Wnt agonist 1

>  <Synonyms> (184)
N/A

>  <Target> (184)
Wnt/beta-catenin

>  <Form> (184)
Hydrochloride

>  <CAS> (184)
853220-52-7(free-base)

>  <URL> (184)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
IQ-1.cdx
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Wnt/beta-catenin

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Free Base

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331001-62-8

>  <URL> (185)
http://www.selleckchem.com/products/iq-1.html

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TRx0237 (LMTX) mesylate

>  <Synonyms> (186)
N/A

>  <Target> (186)
Microtubule Associated

>  <Form> (186)
Dimesylate

>  <CAS> (186)
1236208-20-0

>  <URL> (186)
http://www.selleckchem.com/products/trx0237-lmtx.html

$$$$
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HA15

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N/A

>  <Target> (187)
Others

>  <Form> (187)
Free Base

>  <CAS> (187)
1609402-14-3

>  <URL> (187)
http://www.selleckchem.com/products/ha15.html

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LY333531 HCl

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Ruboxistaurin

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PKC

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hydrochloride

>  <CAS> (188)
169939-93-9

>  <URL> (188)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (189)
3257

>  <Formula> (189)
C25H23Cl2FN6O

>  <MolWeight> (189)
513.3941232

>  <Cat> (189)
S7807

>  <Name> (189)
FRAX486

>  <Synonyms> (189)
N/A

>  <Target> (189)
PAK

>  <Form> (189)
Free Base

>  <CAS> (189)
1232030-35-1

>  <URL> (189)
http://www.selleckchem.com/products/frax486.html

$$$$
KYA1797K.cdx
csChFnd80/01212111352D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (190)
3271

>  <Formula> (190)
C17H11KN2O6S2

>  <MolWeight> (190)
442.50734

>  <Cat> (190)
S8327

>  <Name> (190)
KYA1797K

>  <Synonyms> (190)
N/A

>  <Target> (190)
Wnt/beta-catenin

>  <Form> (190)
potassium salt

>  <CAS> (190)
1956356-56-1

>  <URL> (190)
http://www.selleckchem.com/products/kya1797k.html

$$$$
Deguelin.cdx
csChFnd80/01212111352D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (191)
3286

>  <Formula> (191)
C23H22O6

>  <MolWeight> (191)
394.41718

>  <Cat> (191)
S8132

>  <Name> (191)
Deguelin

>  <Synonyms> (191)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (191)
Akt

>  <Form> (191)
Free Base

>  <CAS> (191)
522-17-8

>  <URL> (191)
http://www.selleckchem.com/products/deguelin.html

$$$$
Leukadherin-1.cdx
csChFnd80/01212111352D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (192)
3295

>  <Formula> (192)
C22H15NO4S2

>  <MolWeight> (192)
421.4888

>  <Cat> (192)
S8306

>  <Name> (192)
Leukadherin-1

>  <Synonyms> (192)
N/A

>  <Target> (192)
Integrin

>  <Form> (192)
Free Base

>  <CAS> (192)
344897-95-6

>  <URL> (192)
http://www.selleckchem.com/products/leukadherin-1.html

$$$$
SKL2001.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (193)
3301

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C14H14N4O3

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SKL2001

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N/A

>  <Target> (193)
Wnt/beta-catenin

>  <Form> (193)
Free Base

>  <CAS> (193)
909089-13-0

>  <URL> (193)
http://www.selleckchem.com/products/skl2001.html

$$$$
ML-7.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (194)
3327

>  <Formula> (194)
C15H18ClIN2O2S

>  <MolWeight> (194)
452.73809

>  <Cat> (194)
S8388

>  <Name> (194)
ML-7 HCl

>  <Synonyms> (194)
N/A

>  <Target> (194)
Others

>  <Form> (194)
hydrochloride

>  <CAS> (194)
110448-33-4

>  <URL> (194)
http://www.selleckchem.com/products/ml-7.html

$$$$
Apoptozole.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (195)
3336

>  <Formula> (195)
C33H25F6N3O3

>  <MolWeight> (195)
625.5603192

>  <Cat> (195)
S8365

>  <Name> (195)
Apoptozole

>  <Synonyms> (195)
Apoptosis Activator VII

>  <Target> (195)
HSP

>  <Form> (195)
Free Base

>  <CAS> (195)
1054543-47-3

>  <URL> (195)
http://www.selleckchem.com/products/apoptozole.html

$$$$
Y-39983 HCl.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (196)
3338

>  <Formula> (196)
C16H18Cl2N4O

>  <MolWeight> (196)
353.24632

>  <Cat> (196)
S7935

>  <Name> (196)
Y-39983 HCl

>  <Synonyms> (196)
Y-33075 HCl

>  <Target> (196)
ROCK

>  <Form> (196)
dihydrochloride

>  <CAS> (196)
173897-44-4

>  <URL> (196)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/01212111352D

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>  <Mol_ID> (197)
3342

>  <Formula> (197)
C21H20N2O3S

>  <MolWeight> (197)
380.4601

>  <Cat> (197)
S8448

>  <Name> (197)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (197)
N/A

>  <Target> (197)
ROCK

>  <Form> (197)
Free Base

>  <CAS> (197)
557782-81-7

>  <URL> (197)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Monastrol.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (198)
3351

>  <Formula> (198)
C14H16N2O3S

>  <MolWeight> (198)
292.35344

>  <Cat> (198)
S8439

>  <Name> (198)
Monastrol

>  <Synonyms> (198)
N/A

>  <Target> (198)
Kinesin

>  <Form> (198)
Free Base

>  <CAS> (198)
329689-23-8

>  <URL> (198)
http://www.selleckchem.com/products/monastrol.html

$$$$
ARQ 092.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (199)
3361

>  <Formula> (199)
C27H25ClN6

>  <MolWeight> (199)
468.9806

>  <Cat> (199)
S8339

>  <Name> (199)
Miransertib (ARQ 092)HCl

>  <Synonyms> (199)
Miransertib

>  <Target> (199)
Akt

>  <Form> (199)
hydrochloride

>  <CAS> (199)
1313883-00-9

>  <URL> (199)
http://www.selleckchem.com/products/arq-092.html

$$$$
KRIBB11.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (200)
3364

>  <Formula> (200)
C13H12N6O2

>  <MolWeight> (200)
284.27338

>  <Cat> (200)
S8402

>  <Name> (200)
KRIBB11

>  <Synonyms> (200)
N/A

>  <Target> (200)
HSP (e.g. HSP90)

>  <Form> (200)
Free Base

>  <CAS> (200)
342639-96-7

>  <URL> (200)
http://www.selleckchem.com/products/kribb11.html

$$$$
PNU-74654.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (201)
3371

>  <Formula> (201)
C19H16N2O3

>  <MolWeight> (201)
320.34194

>  <Cat> (201)
S8429

>  <Name> (201)
PNU-74654

>  <Synonyms> (201)
N/A

>  <Target> (201)
Wnt/beta-catenin

>  <Form> (201)
Free Base

>  <CAS> (201)
113906-27-7

>  <URL> (201)
http://www.selleckchem.com/products/pnu-74654.html

$$$$
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FAK

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1224887-10-8

>  <URL> (206)
http://www.selleckchem.com/products/gsk2256098.html

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Tirofiban Hydrochloride

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MK-383 Hydrochloride

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GPIIb/IIIa

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hydrochloride hydrate

>  <CAS> (207)
150915-40-5

>  <URL> (207)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

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TRC051384

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HSP70

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free base

>  <CAS> (208)
867164-40-7

>  <URL> (208)
http://www.selleckchem.com/products/trc051384.html

$$$$
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integrin ¦Á5¦Â1,¦Áv¦Â3

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262438-43-7

>  <URL> (209)
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3508

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C24H25FN6O2

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448.4927032

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S8644

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GNF-6231

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N/A

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Porcupine

>  <Form> (210)
free base

>  <CAS> (210)
1243245-18-2

>  <URL> (210)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
iCRT3.cdx
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>  <Mol_ID> (211)
3524

>  <Formula> (211)
C23H26N2O2S

>  <MolWeight> (211)
394.52974

>  <Cat> (211)
S8647

>  <Name> (211)
iCRT3

>  <Synonyms> (211)
N/A

>  <Target> (211)
Wnt/¦Â-catenin

>  <Form> (211)
free base

>  <CAS> (211)
901751-47-1

>  <URL> (211)
http://www.selleckchem.com/products/icrt3.html

$$$$
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>  <Mol_ID> (212)
3542

>  <Formula> (212)
C38H44N2O6

>  <MolWeight> (212)
624.76576

>  <Cat> (212)
S5144

>  <Name> (212)
Neferine

>  <Synonyms> (212)
(R)-1,2-Dimethoxyaporphine

>  <Target> (212)
Others

>  <Form> (212)
free base

>  <CAS> (212)
2292-16-2

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

$$$$
IWP-O1.cdx
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>  <Mol_ID> (213)
3640

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C26H20N6O

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432.4766

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S8645

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IWP-O1

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N/A

>  <Target> (213)
Wnt/beta-catenin

>  <Form> (213)
free base

>  <CAS> (213)
2074607-48-8

>  <URL> (213)
http://selleckchem.com/products/iwp-O1.html

$$$$
KPT-9274.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (214)
3677

>  <Formula> (214)
C35H29F3N4O3

>  <MolWeight> (214)
610.6249696

>  <Cat> (214)
S8444

>  <Name> (214)
KPT-9274

>  <Synonyms> (214)
N/A

>  <Target> (214)
NAMPT,PAK

>  <Form> (214)
free base

>  <CAS> (214)
1643913-93-2

>  <URL> (214)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/01212111352D

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>  <Mol_ID> (215)
3683

>  <Formula> (215)
C20H18ClF2N5O3

>  <MolWeight> (215)
449.8384264

>  <Cat> (215)
S8555

>  <Name> (215)
Asciminib (ABL001)

>  <Synonyms> (215)
N/A

>  <Target> (215)
Bcr-Abl

>  <Form> (215)
free base

>  <CAS> (215)
1492952-76-7

>  <URL> (215)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
S5321 Y15.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (216)
3749

>  <Formula> (216)
C6H14Cl4N4

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284.01416

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S5321

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Y15

>  <Synonyms> (216)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (216)
FAK

>  <Form> (216)
tetrahydrochloride 

>  <CAS> (216)
4506-66-5

>  <URL> (216)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/01212111352D

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>  <Mol_ID> (217)
3762

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C18H16N2O

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SC66

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N/A

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Akt

>  <Form> (217)
free base

>  <CAS> (217)
871361-88-5

>  <URL> (217)
http://selleckchem.com/products/sc66.html

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/01212111352D

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    3.6502    6.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0998    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    8.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8795    9.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    4.0206    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.5205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    2.6206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7205    4.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1205    5.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (218)
3863

>  <Formula> (218)
C21H30NO5P

>  <MolWeight> (218)
407.440361

>  <Cat> (218)
S5256

>  <Name> (218)
Benproperine phosphate

>  <Synonyms> (218)
Blascorid, Pirexyl phosphate

>  <Target> (218)
Others

>  <Form> (218)
phosphate 

>  <CAS> (218)
19428-14-9

>  <URL> (218)
http://selleckchem.com/products/benproperine-phosphate.html

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/01212111352D

 23 21  0  0  0  0  0  0  0  0999 V2000
   18.2225    1.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0175    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4273    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8405    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6696    1.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5705    2.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9304    2.0858    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.3936    1.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6590    0.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2299    3.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5369    3.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1606    1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0119    1.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7510    1.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5742    1.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3320    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1550    1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8942    1.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799    1.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    1.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2701    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5223    0.0000    0.0000 Br  0  5  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  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (219)
3895

>  <Formula> (219)
C21H46BrN

>  <MolWeight> (219)
392.50064

>  <Cat> (219)
S5422

>  <Name> (219)
Trimethyloctadecylammonium bromide

>  <Synonyms> (219)
Octadecyltrimethylammonium bromide

>  <Target> (219)
Dynamin

>  <Form> (219)
bromide 

>  <CAS> (219)
1120-02-1

>  <URL> (219)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/01212111352D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.3997    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3997    1.7751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6998    2.9874    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2998    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5998    4.1999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6997    5.4122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7997    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    8.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    5.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0999    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4123    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    5.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 10 21  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 11 26  2  0  0  0  0
  5  8  1  0  0  0  0
M  END
>  <Mol_ID> (220)
3951

>  <Formula> (220)
C22H21NO2S

>  <MolWeight> (220)
363.47264

>  <Cat> (220)
S5522

>  <Name> (220)
H-Cys(Trt)-OH

>  <Synonyms> (220)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (220)
Kinesin

>  <Form> (220)
free base

>  <CAS> (220)
328542

>  <URL> (220)
http://selleckchem.com/products/h-cys-trt-oh.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01212111352D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5696   20.8574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8763   20.4347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9075   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   14.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0035   21.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6904   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4859   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2690   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2690   10.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519   12.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0519    9.8138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   11.9148    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8474   10.5056    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.0519    8.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6303    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4133    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4133    7.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    9.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2088    7.0080    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    9.1221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9792    7.7127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2088    5.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    9.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7746    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5577    4.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    7.0080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    4.2025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    6.3163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1361    4.9069    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3406    2.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7746    2.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5577    0.7048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    4.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    2.1011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2804    3.5108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4975    1.3966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9193    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804    2.1011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0637    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0637    1.3966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5586   16.1173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2136   14.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   11.9148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 70  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  1  0  0  0
  6 11  1  0  0  0  0
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  7 14  1  1  0  0  0
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  9 13  1  0  0  0  0
  9 71  1  6  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  1  0  0  0
 16 19  1  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 72  1  1  0  0  0
 20 25  1  0  0  0  0
 22 23  1  0  0  0  0
 23 26  2  0  0  0  0
 24 27  1  0  0  0  0
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 27 28  1  1  0  0  0
 29 28  1  1  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  6  0  0  0
 33 36  1  1  0  0  0
 33 34  1  0  0  0  0
 34 37  1  6  0  0  0
 38 37  1  1  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
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M  END
>  <Mol_ID> (221)
3969

>  <Formula> (221)
C49H76O20

>  <MolWeight> (221)
985.11574

>  <Cat> (221)
S5554

>  <Name> (221)
Lanatoside C

>  <Synonyms> (221)
N/A

>  <Target> (221)
ATPase

>  <Form> (221)
free base

>  <CAS> (221)
17575-22-3

>  <URL> (221)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/01212111352D

 40 43  0  0  0  0  0  0  0  0999 V2000
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   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
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  5  6  2  0  0  0  0
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 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (222)
4024

>  <Formula> (222)
C28H23ClF3N7O

>  <MolWeight> (222)
565.9767296

>  <Cat> (222)
S5205

>  <Name> (222)
Nilotinib hydrochloride

>  <Synonyms> (222)
AMN-107 HCl

>  <Target> (222)
Bcr-Abl

>  <Form> (222)
hydrochloride 

>  <CAS> (222)
923288-95-3

>  <URL> (222)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/01212111352D

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.7156    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
  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
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  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (223)
4040

>  <Formula> (223)
C14H19NO

>  <MolWeight> (223)
217.30676

>  <Cat> (223)
S5369

>  <Name> (223)
Ethoxyquin

>  <Form> (223)
free base

>  <CAS> (223)
91-53-2

$$$$
S9416 Triptonide.cdx
csChFnd80/01212111352D

 27 33  0  0  0  0  0  0  0  0999 V2000
    3.4990    1.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  1  1  0  0  0  0
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  3  6  1  0  0  0  0
  4  8  1  0  0  0  0
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 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
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  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  6  0  0  0
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 20  3  1  0  0  0  0
 22  2  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
 16 25  1  0  0  0  0
  9 10  1  0  0  0  0
 25 26  1  0  0  0  0
 10 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (224)
4149

>  <Formula> (224)
C20H22O6

>  <MolWeight> (224)
358.38508

>  <Cat> (224)
S9416

>  <Name> (224)
Triptonide

>  <Form> (224)
free base

>  <CAS> (224)
38647-11-9

$$$$

csChFnd80/01212111352D

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.0300    3.4615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (225)
4224

>  <Formula> (225)
C18H22ClN5S

>  <MolWeight> (225)
375.91878

>  <Cat> (225)
S5919

>  <Name> (225)
KHS101 hydrochloride

>  <Synonyms> (225)
N/A

>  <Target> (225)
Microtubule Associat

>  <Form> (225)
hydrochloride

>  <CAS> (225)
1784282-12-7

>  <URL> (225)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/01212111352D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    5.6673    6.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
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  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (226)
4235

>  <Formula> (226)
C13H15N3O2S

>  <MolWeight> (226)
277.3421

>  <Cat> (226)
S5933

>  <Name> (226)
K 858

>  <Synonyms> (226)
N/A

>  <Target> (226)
Kinesin

>  <Form> (226)
Free Base

>  <CAS> (226)
72926-24-0

>  <URL> (226)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/01212111352D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (227)
4237

>  <Formula> (227)
C19H33NO2

>  <MolWeight> (227)
307.47082

>  <Cat> (227)
S5950

>  <Name> (227)
Fingolimod

>  <Form> (227)
Free Base

>  <CAS> (227)
162359-55-9

$$$$

csChFnd80/01212111352D

 38 43  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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 25 21  1  0  0  0  0
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 31 26  1  0  0  0  0
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M  END
>  <Mol_ID> (228)
4272

>  <Formula> (228)
C29H24FN7O

>  <MolWeight> (228)
505.5455632

>  <Cat> (228)
S8761

>  <Name> (228)
Adavivint (SM04690)

>  <Synonyms> (228)
N/A

>  <Target> (228)
Wnt/beta-catenin

>  <Form> (228)
Free Base

>  <CAS> (228)
1467093-03-3

>  <URL> (228)
http://www.selleckchem.com/products/adavivint.html

$$$$

csChFnd80/01212111352D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  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
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M  END
>  <Mol_ID> (229)
4345

>  <Formula> (229)
C20H28O5

>  <MolWeight> (229)
348.43332

>  <Cat> (229)
S9101

>  <Name> (229)
Ingenol

>  <Form> (229)
free base

>  <CAS> (229)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/01212111352D

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M  END
>  <Mol_ID> (230)
4378

>  <Formula> (230)
C37H40N2O6

>  <MolWeight> (230)
608.7233

>  <Cat> (230)
S9141

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Berbamine

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free base

>  <CAS> (230)
478-61-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/01212111352D

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M  END
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4416

>  <Formula> (231)
C27H30O15

>  <MolWeight> (231)
594.5181

>  <Cat> (231)
S9190

>  <Name> (231)
Oroxin B

>  <Form> (231)
free base

>  <CAS> (231)
114482-86-9

$$$$
S9234 Schaftoside.cdx
csChFnd80/01212111352D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
4446

>  <Formula> (232)
C26H28O14

>  <MolWeight> (232)
564.49212

>  <Cat> (232)
S9234

>  <Name> (232)
Schaftoside

>  <CAS> (232)
51938-32-0

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/01212111352D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (233)
4508

>  <Formula> (233)
C21H22O7

>  <MolWeight> (233)
386.39518

>  <Cat> (233)
S9315

>  <Name> (233)
Praeruptorin A

>  <Form> (233)
free base

>  <CAS> (233)
73069-25-7

$$$$
S5254 Dasatinib hydrochloride.cdx
csChFnd80/01212111352D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (234)
4666

>  <Formula> (234)
C22H27Cl2N7O2S

>  <MolWeight> (234)
524.46648

>  <Cat> (234)
S5254

>  <Name> (234)
Dasatinib hydrochloride

>  <Synonyms> (234)
BMS 354825 hydrochloride

>  <Target> (234)
Abl/Src

>  <Form> (234)
hydrochloride 

>  <CAS> (234)
854001-07-3

>  <URL> (234)
http://selleckchem.com/products/.html

$$$$

csChFnd80/01212111352D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (235)
4840

>  <Formula> (235)
C18H19F3N2O4S2

>  <MolWeight> (235)
448.4796696

>  <Cat> (235)
S5815

>  <Name> (235)
WAY-316606

>  <Synonyms> (235)
N/A

>  <Target> (235)
Wnt/beta-catenin

>  <Form> (235)
Free Base

>  <CAS> (235)
915759-45-4

>  <URL> (235)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/01212111352D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 11  7  1  0  0  0  0
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M  END
>  <Mol_ID> (236)
4863

>  <Formula> (236)
C19H21N3O3S

>  <MolWeight> (236)
371.45334

>  <Cat> (236)
S8789

>  <Name> (236)
SSE15206

>  <Synonyms> (236)
N/A

>  <Target> (236)
Microtubule Associat

>  <Form> (236)
Free Base

>  <CAS> (236)
1370046-40-4

>  <URL> (236)
http://www.selleckchem.com/products/sse15206.html

$$$$

csChFnd80/01212111352D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (237)
4916

>  <Formula> (237)
C30H48O5

>  <MolWeight> (237)
488.69912

>  <Cat> (237)
S9514

>  <Name> (237)
Rotundic acid

>  <Synonyms> (237)
Rutundic acid

>  <Target> (237)
Others

>  <Form> (237)
Free Base

>  <CAS> (237)
20137-37-5

>  <URL> (237)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/01212111352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (238)
5244

>  <Formula> (238)
C21H19ClNO4+

>  <MolWeight> (238)
384.83286

>  <Cat> (238)
S1292

>  <Name> (238)
Chelerythrine Chloride

>  <Synonyms> (238)
N/A

>  <Target> (238)
PKC

>  <Form> (238)
Chloride

>  <CAS> (238)
3895-92-9

>  <URL> (238)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/01212111352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
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 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
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 16 12  2  0  0  0  0
 18 13  1  0  0  0  0
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 22 15  1  0  0  0  0
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 26 20  2  0  0  0  0
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M  END
>  <Mol_ID> (239)
5324

>  <Formula> (239)
C23H19NO3

>  <MolWeight> (239)
357.40186

>  <Cat> (239)
S6424

>  <Name> (239)
TAS-301

>  <Synonyms> (239)
N/A

>  <Target> (239)
Others

>  <Form> (239)
Free Base

>  <CAS> (239)
193620-69-8

>  <URL> (239)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/01212111352D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (240)
6694

>  <Formula> (240)
C28H28F3N5O4

>  <MolWeight> (240)
555.5482296

>  <Cat> (240)
S6545

>  <Name> (240)
BI-4464

>  <Synonyms> (240)
N/A

>  <Target> (240)
FAK

>  <Form> (240)
free base

>  <CAS> (240)
1227948-02-8

>  <URL> (240)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/01212111352D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (241)
6710

>  <Formula> (241)
C20H25F3N6O3

>  <MolWeight> (241)
454.4461096

>  <Cat> (241)
S6577

>  <Name> (241)
PKC-theta inhibitor

>  <Synonyms> (241)
N/A

>  <Target> (241)
PKC

>  <Form> (241)
free base

>  <CAS> (241)
736048-65-0

>  <URL> (241)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/01212111352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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iCRT14

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N/A

>  <Target> (242)
Wnt/beta-catenin

>  <Form> (242)
free base

>  <CAS> (242)
677331-12-3

>  <URL> (242)
http://www.selleck.cn/products/icrt14.html

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>  <Synonyms> (243)
N/A

>  <Target> (243)
HSP (e.g. HSP90)

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Free Base

>  <CAS> (243)
100872-83-1

>  <URL> (243)
http://www.selleck.cn/products/ml346.html

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csChFnd80/01212111352D

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C19H17N7O3

>  <MolWeight> (244)
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S6616

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ETC-159

>  <Synonyms> (244)
ETC-1922159

>  <Target> (244)
Wnt/beta-catenin

>  <Form> (244)
Free Base

>  <CAS> (244)
1638250-96-0

>  <URL> (244)
http://www.selleck.cn/products/etc-159.html

$$$$

csChFnd80/01212111352D

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C17H12N4O2S

>  <MolWeight> (245)
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>  <Cat> (245)
S6628

>  <Name> (245)
E7820

>  <Synonyms> (245)
N/A

>  <Target> (245)
Others

>  <Form> (245)
Free Base

>  <CAS> (245)
289483-69-8

>  <URL> (245)
http://www.selleck.cn/products/e7820.html

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6792

>  <Formula> (246)
C18H13ClF2N6O

>  <MolWeight> (246)
402.7852264

>  <Cat> (246)
S6636

>  <Name> (246)
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>  <Synonyms> (246)
N/A

>  <Target> (246)
ROCK

>  <Form> (246)
Free Base

>  <CAS> (246)
867017-68-3

>  <URL> (246)
http://www.selleck.cn/products/azaindole-1.html

$$$$

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N/A

>  <Target> (247)
HSP (e.g. HSP90)

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Free Base

>  <CAS> (247)
1456551-16-8

>  <URL> (247)
http://www.selleck.cn/products/jg98.html

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C22H23F3N8O

>  <MolWeight> (248)
472.4662296

>  <Cat> (248)
S6723

>  <Name> (248)
LXS-196

>  <Synonyms> (248)
IDE-196

>  <Target> (248)
PKC

>  <Form> (248)
Free Base

>  <CAS> (248)
1874276-76-2

>  <URL> (248)
http://www.selleck.cn/products/lxs-196.html

$$$$

csChFnd80/01212111352D

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>  <MolWeight> (249)
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>  <Cat> (249)
S6745

>  <Name> (249)
JW55

>  <Synonyms> (249)
N/A

>  <Target> (249)
Wnt/beta-catenin

>  <Form> (249)
Free Base

>  <CAS> (249)
664993-53-7

>  <URL> (249)
http://www.selleck.cn/products/jw55.html

$$$$

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>  <Mol_ID> (250)
6841

>  <Formula> (250)
C25H26N8O

>  <MolWeight> (250)
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>  <Cat> (250)
S7716

>  <Name> (250)
TAS-116

>  <Synonyms> (250)
N/A

>  <Target> (250)
HSP (e.g. HSP90)

>  <Form> (250)
Free Base

>  <CAS> (250)
1260533-36-5

>  <URL> (250)
http://www.selleck.cn/products/tas-116.html

$$$$

csChFnd80/01212111352D

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1922098-69-8

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   15.0053    5.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    6.2668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1072    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8158    8.0919    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1072    8.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938    7.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    7.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    3.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7134    9.9682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6978    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    6.2668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9259   10.6682    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    3.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2887    5.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6259    9.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1383   11.3682    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.2259   11.8807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2887    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    4.6242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9025    4.5364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0412   11.8402    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.2650   11.3093    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.4687    9.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    6.9319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 33  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 34  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 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
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
  3 37  1  1  0  0  0
  2 38  1  1  0  0  0
M  END
>  <Mol_ID> (255)
6948

>  <Formula> (255)
C23H30Cl2NNa2O6P

>  <MolWeight> (255)
564.346701

>  <Cat> (255)
S2441

>  <Name> (255)
Estramustine phosphate sodium

>  <Synonyms> (255)
EMP, Emcyt, Estracyt

>  <Target> (255)
Microtubule Associated

>  <Form> (255)
Phosphate sodium

>  <CAS> (255)
52205-73-9

>  <URL> (255)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/01212111352D

 18 19  0  0  0  0  0  0  0  0999 V2000
   11.5290    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9290    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 N   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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   13.6290    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  5  6  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
  5  9  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
  8 13  2  0  0  0  0
  7 10  2  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
 12 14  1  0  0  0  0
  2  5  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (256)
6949

>  <Formula> (256)
C13H17N3O2

>  <MolWeight> (256)
247.29298

>  <Cat> (256)
S2444

>  <Name> (256)
Parbendazole

>  <Synonyms> (256)
SKF 29044

>  <Target> (256)
Microtubule Associated

>  <Form> (256)
Free Base

>  <CAS> (256)
14255-87-9

>  <URL> (256)
http://www.selleck.cn/products/parbendazole.html

$$$$

csChFnd80/01212111352D

 33 38  0  0  0  0  0  0  0  0999 V2000
    4.6365    8.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    2.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    4.8506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7318    8.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5413    8.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3864    3.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    3.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    4.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9911    3.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8490    4.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8490    3.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    5.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1319    8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1412    8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8319    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4412    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 19  1  0  0  0  0
  5 30  2  0  0  0  0
  6 20  1  0  0  0  0
  6 31  2  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (257)
6979

>  <Formula> (257)
C26H23N5O2

>  <MolWeight> (257)
437.49312

>  <Cat> (257)
S8961

>  <Name> (257)
Alobresib (GS-5829)

>  <Synonyms> (257)
N/A

>  <Target> (257)
Epigenetic Reader Do

>  <Form> (257)
Free Base

>  <CAS> (257)
1637771-14-2

>  <URL> (257)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/01212111352D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.5466    4.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8809    4.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.0933    5.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7488    6.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0932    6.5284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8034    5.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1171    1.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2590    8.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  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
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 18  2  0  0  0  0
 19 21  2  0  0  0  0
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 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> (258)
6987

>  <Formula> (258)
C19H19N5

>  <MolWeight> (258)
317.38766

>  <Cat> (258)
S2642

>  <Name> (258)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (258)
N/A

>  <Target> (258)
Src

>  <Form> (258)
Free Base

>  <CAS> (258)
221243-82-9

>  <URL> (258)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/01212111352D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (259)
7012

>  <Formula> (259)
C12H8ClNO4S

>  <MolWeight> (259)
297.71422

>  <Cat> (259)
S6796

>  <Name> (259)
BTB-1

>  <Synonyms> (259)
N/A

>  <Target> (259)
Kinesin

>  <Form> (259)
Free Base

>  <CAS> (259)
86030-08-2

>  <URL> (259)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/01212111352D

 61 66  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (260)
7033

>  <Formula> (260)
C43H46F3N7O7S

>  <MolWeight> (260)
861.9282496

>  <Cat> (260)
S8888

>  <Name> (260)
GMB-475

>  <Synonyms> (260)
N/A

>  <Target> (260)
PROTAC

>  <Form> (260)
Free Base

>  <CAS> (260)
no cas

>  <URL> (260)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/01212111352D

 52 53  0  0  0  0  0  0  0  0999 V2000
   13.3990    3.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (261)
7057

>  <Formula> (261)
C39H65N5O8

>  <MolWeight> (261)
731.9621

>  <Cat> (261)
S0328

>  <Name> (261)
MMAF

>  <Synonyms> (261)
Monomethylauristatin F

>  <Target> (261)
Microtubule Associat

>  <Form> (261)
Free Base

>  <CAS> (261)
745017-94-1

>  <URL> (261)
http://www.selleckchem.com/products/mmaf.html

$$$$

csChFnd80/01212111352D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 29  1  0  0  0  0
  3 29  1  0  0  0  0
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  8 20  2  0  0  0  0
  8 30  1  0  0  0  0
  9 23  1  0  0  0  0
  9 30  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
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 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
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 24 27  1  0  0  0  0
 24 29  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (262)
7058

>  <Formula> (262)
C21H18F3N5O

>  <MolWeight> (262)
413.3957296

>  <Cat> (262)
S0360

>  <Name> (262)
EGFR?Inhibitor

>  <Synonyms> (262)
N/A

>  <Target> (262)
EGFR

>  <Form> (262)
Free Base

>  <CAS> (262)
879127-07-8

>  <URL> (262)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/01212111352D

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  1  2  1  0  0  0  0
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 11 12  2  0  0  0  0
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 29 22  1  0  0  0  0
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 22 33  1  1  0  0  0
 25 34  1  0  0  0  0
 28 35  2  0  0  0  0
 32 36  1  1  0  0  0
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 30 38  1  1  0  0  0
 31 38  1  6  0  0  0
 30 39  1  0  0  0  0
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 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (263)
7078

>  <Formula> (263)
C32H43ClN2O9

>  <MolWeight> (263)
635.14482

>  <Cat> (263)
S2447

>  <Name> (263)
Ansamitocin P-3

>  <Synonyms> (263)
Antibiotic C 15003P3

>  <Target> (263)
ADC Cytotoxin

>  <Form> (263)
Free Base

>  <CAS> (263)
66584-72-3

>  <URL> (263)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/01212111352D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0218    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (264)
7104

>  <Formula> (264)
C30H28O8

>  <MolWeight> (264)
516.53852

>  <Cat> (264)
S7862

>  <Name> (264)
Rottlerin

>  <Synonyms> (264)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (264)
PKC

>  <Form> (264)
Free Base

>  <CAS> (264)
82-08-6

>  <URL> (264)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/01212111352D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  2 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (265)
7148

>  <Formula> (265)
C16H18N2O2S

>  <MolWeight> (265)
302.39132

>  <Cat> (265)
S0279

>  <Name> (265)
Dimethylenastron

>  <Target> (265)
Kinesin

>  <Form> (265)
free base

>  <CAS> (265)
863774-58-7

>  <URL> (265)
http://www.selleckchem.com/products/dimethylenastron.html

$$$$

csChFnd80/01212111352D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.0535    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (266)
7150

>  <Formula> (266)
C21H19N3O2S2

>  <MolWeight> (266)
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>  <Cat> (266)
S0294

>  <Name> (266)
HSF1A

>  <Target> (266)
HSP (HSP90)

>  <Form> (266)
free base

>  <CAS> (266)
1196723-93-9

>  <URL> (266)
http://www.selleckchem.com/products/hsf1a.html

$$$$

csChFnd80/01212111352D

 32 34  0  0  0  0  0  0  0  0999 V2000
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7154

>  <Formula> (267)
C24H21Cl2NO5

>  <MolWeight> (267)
474.33324

>  <Cat> (267)
S0314

>  <Name> (267)
TR-14035

>  <Target> (267)
Integrin

>  <Form> (267)
free base

>  <CAS> (267)
232271-19-1

>  <URL> (267)
http://www.selleckchem.com/products/tr-14035.html

$$$$

csChFnd80/01212111352D

 28 31  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (268)
7164

>  <Formula> (268)
C22H16ClN3O2

>  <MolWeight> (268)
389.83434

>  <Cat> (268)
S0444

>  <Name> (268)
Indibulin

>  <Target> (268)
Microtubule Associat

>  <Form> (268)
free base

>  <CAS> (268)
204205-90-3

>  <URL> (268)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/01212111352D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (269)
7167

>  <Formula> (269)
C14H10N4O3S

>  <MolWeight> (269)
314.3192

>  <Cat> (269)
S0458

>  <Name> (269)
KY1220

>  <Target> (269)
Wnt/beta-catenin

>  <Form> (269)
free base

>  <CAS> (269)
292168-79-7

>  <URL> (269)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/01212111352D

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   10.1026    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1026    5.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3146    4.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5291    5.6438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5291    7.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3140    3.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    4.9438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9539    5.6438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9539    7.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7415    7.7438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3118    9.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3118    7.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    9.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    9.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8932    9.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4415    3.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8415    3.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7415    6.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1622    4.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3788    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
 10  9  2  0  0  0  0
  9  6  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
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 13 15  1  0  0  0  0
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 21 18  1  6  0  0  0
 20 14  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 23 25  1  6  0  0  0
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 25 27  1  0  0  0  0
 17 28  1  1  0  0  0
 15 29  1  1  0  0  0
 29 30  2  0  0  0  0
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 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 38  2  0  0  0  0
 37 34  2  0  0  0  0
 34 31  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
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 41 40  1  0  0  0  0
 39 42  1  0  0  0  0
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 44 45  1  0  0  0  0
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 47 49  1  0  0  0  0
 47 48  1  0  0  0  0
 41 48  1  1  0  0  0
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 46 49  1  0  0  0  0
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 50 51  2  0  0  0  0
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 52 49  1  0  0  0  0
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 53 55  1  0  0  0  0
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 29 62  1  0  0  0  0
 62 63  1  0  0  0  0
M  END
>  <Mol_ID> (270)
7197

>  <Formula> (270)
C43H57N5O11S

>  <MolWeight> (270)
852.00458

>  <Cat> (270)
S2440

>  <Name> (270)
Vindesine sulfate

>  <Target> (270)
Microtubule Associat

>  <Form> (270)
sulfate

>  <CAS> (270)
59917-39-4

>  <URL> (270)
http://www.selleckchem.com/products/vindesine-sulfate.html

$$$$

csChFnd80/01212111352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   10.3621    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 24  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 26  1  6  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  7 27  1  6  0  0  0
  8 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  1  0  0  0
 16 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (271)
7202

>  <Formula> (271)
C21H32O2

>  <MolWeight> (271)
316.47758

>  <Cat> (271)
S3206

>  <Name> (271)
5a-Pregnane-3,20-dione

>  <Target> (271)
Microtubule Associat

>  <Form> (271)
free base

>  <CAS> (271)
566-65-4

>  <URL> (271)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/01212111352D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1927    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
  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (272)
7209

>  <Formula> (272)
C7H7NO2

>  <MolWeight> (272)
137.13598

>  <Cat> (272)
S3220

>  <Name> (272)
Trigonelline

>  <Target> (272)
Phospholipase (e.g. 

>  <Form> (272)
free base

>  <CAS> (272)
535-83-1

>  <URL> (272)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/01212111352D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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> (273)
7211

>  <Formula> (273)
C7H14O6

>  <MolWeight> (273)
194.18246

>  <Cat> (273)
S3223

>  <Name> (273)
L-Quebrachitol

>  <Target> (273)
TGF-beta/Smad

>  <Form> (273)
free base

>  <CAS> (273)
642-38-6

>  <URL> (273)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/01212111352D

 32 37  0  0  0  0  0  0  0  0999 V2000
    5.2310    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1825    4.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9874    6.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6175    5.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  1  0  0  0
 13  2  1  1  0  0  0
  2 29  1  0  0  0  0
 26  3  1  1  0  0  0
  4 28  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  2  0  0  0  0
  6 32  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  1  1  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  1  6  0  0  0
 11 14  1  0  0  0  0
 11 16  1  1  0  0  0
 12 13  1  0  0  0  0
 12 22  1  1  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 24  1  1  0  0  0
 15 16  1  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 21 25  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 26  1  0  0  0  0
 25 26  1  0  0  0  0
 27 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (274)
7212

>  <Formula> (274)
C26H34O6

>  <MolWeight> (274)
442.54456

>  <Cat> (274)
S3224

>  <Name> (274)
Cinobufagin

>  <Target> (274)
ATM/ATR

>  <Form> (274)
free base

>  <CAS> (274)
470-37-1

>  <URL> (274)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/01212111352D

 28 33  0  0  0  0  0  0  0  0999 V2000
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   12.1826    0.8063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9875    2.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (275)
7220

>  <Formula> (275)
C24H32O4

>  <MolWeight> (275)
384.50848

>  <Cat> (275)
S3238

>  <Name> (275)
Resibufogenin

>  <Target> (275)
RIP kinase

>  <Form> (275)
free base

>  <CAS> (275)
465-39-4

>  <URL> (275)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/01212111352D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453   10.4781    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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 10  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (276)
7223

>  <Formula> (276)
C17H18O4

>  <MolWeight> (276)
286.32242

>  <Cat> (276)
S3241

>  <Name> (276)
Loureirin A

>  <Target> (276)
Akt

>  <Form> (276)
free base

>  <CAS> (276)
119425-89-7

>  <URL> (276)
http://www.selleckchem.com/products/loureirin-a.html

$$$$

csChFnd80/01212111352D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
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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
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 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
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 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> (277)
7250

>  <Formula> (277)
C30H16O8

>  <MolWeight> (277)
504.44324

>  <Cat> (277)
S3273

>  <Name> (277)
Hypericin

>  <Target> (277)
MAO

>  <Form> (277)
free base

>  <CAS> (277)
548-04-9

>  <URL> (277)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/01212111352D

 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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  6 20  2  0  0  0  0
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  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
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 14 15  2  0  0  0  0
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 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> (278)
7264

>  <Formula> (278)
C19H12O7

>  <MolWeight> (278)
352.29438

>  <Cat> (278)
S3289

>  <Name> (278)
Daphnoretin

>  <Target> (278)
PKC

>  <Form> (278)
free base

>  <CAS> (278)
2034-69-7

>  <URL> (278)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/01212111352D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (279)
7268

>  <Formula> (279)
C16H17NO3

>  <MolWeight> (279)
271.31108

>  <Cat> (279)
S3294

>  <Name> (279)
Demethyl-Coclaurine

>  <Target> (279)
Adrenergic Receptor

>  <Form> (279)
free base

>  <CAS> (279)
5843-65-2

>  <URL> (279)
http://www.selleckchem.com/products/demethyl-coclaurine.html

$$$$

csChFnd80/01212111352D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
 11 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 12  2  0  0  0  0
 16 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (280)
7270

>  <Formula> (280)
C16H12O6

>  <MolWeight> (280)
300.26288

>  <Cat> (280)
S3296

>  <Name> (280)
Hispidulin

>  <Target> (280)
Pim

>  <Form> (280)
free base

>  <CAS> (280)
1447-88-7

>  <URL> (280)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01212111352D

 34 36  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 20  1  0  0  0  0
 13 14  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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 28  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 27 31  1  0  0  0  0
 24 27  1  0  0  0  0
 13 21  1  0  0  0  0
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  1 34  1  0  0  0  0
M  END
>  <Mol_ID> (281)
7290

>  <Formula> (281)
C27H33ClN2O4

>  <MolWeight> (281)
485.01492

>  <Cat> (281)
S6760

>  <Name> (281)
LM22B-10

>  <Target> (281)
Trk receptor

>  <Form> (281)
free base

>  <CAS> (281)
342777-54-2

>  <URL> (281)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01212111352D

 33 38  0  0  0  0  0  0  0  0999 V2000
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 22 26  1  0  0  0  0
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 31 33  2  0  0  0  0
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M  END
>  <Mol_ID> (282)
7295

>  <Formula> (282)
C27H24N6

>  <MolWeight> (282)
432.51966

>  <Cat> (282)
S6811

>  <Name> (282)
Miransertib (ARQ-092)

>  <Target> (282)
Akt

>  <Form> (282)
free base

>  <CAS> (282)
1313881-70-7

>  <URL> (282)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/01212111352D

 22 23  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (283)
7298

>  <Formula> (283)
C15H18Cl2N2O2S

>  <MolWeight> (283)
361.28662

>  <Cat> (283)
S6847

>  <Name> (283)
ML-9 HCl

>  <Target> (283)
Akt

>  <Form> (283)
hydrochloride

>  <CAS> (283)
105637-50-1

>  <URL> (283)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/01212111352D

 27 30  0  0  0  0  0  0  0  0999 V2000
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7320

>  <Formula> (284)
C20H12N2OS4

>  <MolWeight> (284)
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>  <Target> (284)
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>  <Form> (284)
free base

>  <CAS> (284)
339163-65-4

>  <URL> (284)
http://www.selleckchem.com/products/rcm-1.html

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7348

>  <Formula> (285)
C18H19N5O3

>  <MolWeight> (285)
353.37516

>  <Cat> (285)
S8965

>  <Name> (285)
BO-264

>  <Target> (285)
TACC3

>  <Form> (285)
free base

>  <CAS> (285)
2408648-20-2

>  <URL> (285)
http://www.selleckchem.com/products/bo-264.html

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csChFnd80/01212111352D

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>  <Mol_ID> (286)
7362

>  <Formula> (286)
C18H32O3

>  <MolWeight> (286)
296.44488

>  <Cat> (286)
S9611

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>  <Target> (286)
Others

>  <Form> (286)
free base

>  <CAS> (286)
57818-44-7

>  <URL> (286)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

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>  <Mol_ID> (287)
7377

>  <Formula> (287)
C28H26N4O3

>  <MolWeight> (287)
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>  <Cat> (287)
S1421

>  <Name> (287)
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>  <Synonyms> (287)
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>  <Target> (287)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (287)
Free Base

>  <CAS> (287)
62996-74-1

>  <URL> (287)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

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   30.3278    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4780    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 34 41  1  0  0  0  0
 30 42  1  0  0  0  0
 26 43  1  0  0  0  0
 22 44  1  0  0  0  0
 18 45  1  0  0  0  0
 14 46  1  0  0  0  0
M  END
>  <Mol_ID> (288)
7379

>  <Formula> (288)
C45H74O

>  <MolWeight> (288)
631.06846

>  <Cat> (288)
S2360

>  <Name> (288)
Solanesol (Nonaisoprenol)

>  <Synonyms> (288)
Nonaisoprenol, Betulanonaprenol

>  <Target> (288)
others

>  <Form> (288)
Free Base

>  <CAS> (288)
13190-97-1

>  <URL> (288)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/01212111352D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.0473    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    8.6193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4499    0.6422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    4.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    6.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    7.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    2.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2159    2.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7326    3.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1509    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    5.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9450    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5202    9.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9558    3.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6 16  2  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 11 18  2  0  0  0  0
 12 13  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 20  2  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (289)
7403

>  <Formula> (289)
C21H18N2O

>  <MolWeight> (289)
314.38042

>  <Cat> (289)
S0765

>  <Name> (289)
MAZ51

>  <Synonyms> (289)
N/A

>  <Target> (289)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (289)
Free Base

>  <CAS> (289)
163655-37-6

>  <URL> (289)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01212111352D

 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
    2.4249    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3105    2.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8677    3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5229    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7353    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   11.3726    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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> (290)
7506

>  <Formula> (290)
C17H16FN5

>  <MolWeight> (290)
309.3408432

>  <Cat> (290)
S0373

>  <Name> (290)
CZC-8004

>  <Synonyms> (290)
CZC-00008004

>  <Target> (290)
Bcr-Abl

>  <Form> (290)
Free Base

>  <CAS> (290)
916603-07-1

>  <URL> (290)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/01212111352D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7525    3.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852    4.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    5.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2063    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 16 17  2  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> (291)
7527

>  <Formula> (291)
C16H12ClNO

>  <MolWeight> (291)
269.72558

>  <Cat> (291)
S0780

>  <Name> (291)
Oncrasin-1

>  <Synonyms> (291)
N/A

>  <Target> (291)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (291)
Free Base

>  <CAS> (291)
75629-57-1

>  <URL> (291)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/01212111352D

 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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    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  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> (292)
7553

>  <Formula> (292)
C22H31N9O

>  <MolWeight> (292)
437.54124

>  <Cat> (292)
S1272

>  <Name> (292)
XL228

>  <Synonyms> (292)
N/A

>  <Target> (292)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (292)
Free Base

>  <CAS> (292)
898280-07-4

>  <URL> (292)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/01212111352D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 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 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 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
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (293)
7554

>  <Formula> (293)
C29H30O13

>  <MolWeight> (293)
586.5407

>  <Cat> (293)
S1273

>  <Name> (293)
Amarogentin

>  <Synonyms> (293)
AG

>  <Target> (293)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (293)
Free Base

>  <CAS> (293)
21018-84-8

>  <URL> (293)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01212111352D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (294)
7556

>  <Formula> (294)
C13H8O3

>  <MolWeight> (294)
212.20082

>  <Cat> (294)
S1321

>  <Name> (294)
Urolithin B

>  <Synonyms> (294)
N/A

>  <Target> (294)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (294)
Free Base

>  <CAS> (294)
1139-83-9

>  <URL> (294)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01212111352D

 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
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (295)
7566

>  <Formula> (295)
C13H17Cl2N3O2S

>  <MolWeight> (295)
350.26398

>  <Cat> (295)
S2964

>  <Name> (295)
HA-100 dihydrochloride

>  <Synonyms> (295)
N/A

>  <Target> (295)
PKG, PKA, PKC, MLCK

>  <Form> (295)
Dihydrochlori

>  <CAS> (295)
210297-47-5

>  <URL> (295)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/01212111352D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (296)
7673

>  <Formula> (296)
C7H7NO3

>  <MolWeight> (296)
153.13538

>  <Cat> (296)
S3355

>  <Name> (296)
3-Hydroxyanthranilic acid

>  <Synonyms> (296)
3-HAA, 3-HANA

>  <Target> (296)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (296)
Free Base

>  <CAS> (296)
548-93-6

>  <URL> (296)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/01212111352D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4248    4.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.5123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.2123    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7123    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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  0  0  0  0
 11 14  1  0  0  0  0
 10 11  1  0  0  0  0
  4 10  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (297)
7695

>  <Formula> (297)
C15H15NO4S

>  <MolWeight> (297)
305.3489

>  <Cat> (297)
S6901

>  <Name> (297)
MSAB

>  <Synonyms> (297)
N/A

>  <Target> (297)
Wnt/beta-catenin

>  <Form> (297)
Free Base

>  <CAS> (297)
173436-66-3

>  <URL> (297)
https://www.selleckchem.com/products/msab.html

$$$$
