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302962-49-8

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

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Imatinib Mesylate (STI571)

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CGP-57148B, ST-1571 Mesylate

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PDGFR, c-Kit, Bcr-Abl

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Mesylate

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220127-57-1

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

$$$$
untitled.cdx
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Bcr-Abl

>  <Form> (3)
Free Base

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

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

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

>  <Formula> (4)
C23H28N8OS

>  <MolWeight> (4)
464.58642

>  <Cat> (4)
S1048

>  <Name> (4)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (4)
N/A 

>  <Target> (4)
Aurora Kinase

>  <Form> (4)
Free Base

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

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

$$$$
Y-27632 2HCL.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (5)
33

>  <Formula> (5)
C14H23Cl2N3O

>  <MolWeight> (5)
320.25792

>  <Cat> (5)
S1049

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

>  <Synonyms> (5)
N/A

>  <Target> (5)
ROCK

>  <Form> (5)
Dihydrochloride

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

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

$$$$
untitled.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (6)
34

>  <Formula> (6)
C19H20N4O2S2

>  <MolWeight> (6)
400.5177

>  <Cat> (6)
S1052

>  <Name> (6)
Elesclomol (STA-4783)

>  <Synonyms> (6)
STA-4783

>  <Target> (6)
HSP

>  <Form> (6)
Free Base

>  <CAS> (6)
488832-69-5

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

$$$$
untitled.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (7)
36

>  <Formula> (7)
C32H29N5O2

>  <MolWeight> (7)
515.60496

>  <Cat> (7)
S1055

>  <Name> (7)
Enzastaurin (LY317615)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
PKC 

>  <Form> (7)
Free Base

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

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

$$$$
NVP-AUY922 .cdx
csChFnd80/01212111362D

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43

>  <Formula> (8)
C26H31N3O5

>  <MolWeight> (8)
465.54144

>  <Cat> (8)
S1069

>  <Name> (8)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (8)
VER-52296

>  <Target> (8)
HSP

>  <Form> (8)
Free Base

>  <CAS> (8)
747412-49-3

>  <URL> (8)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$

csChFnd80/01212111362D

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>  <Mol_ID> (9)
48

>  <Formula> (9)
C25H23Cl2N5O

>  <MolWeight> (9)
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>  <Cat> (9)
S1078

>  <Name> (9)
MK-2206 dihydrochloride

>  <Synonyms> (9)
N/A

>  <Target> (9)
Akt

>  <Form> (9)
Dihydrochloride

>  <CAS> (9)
1032350-13-2

>  <URL> (9)
http://www.selleckchem.com/products/MK-2206.html

$$$$
untitled.cdx
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>  <Mol_ID> (10)
69

>  <Formula> (10)
C26H30N6O3

>  <MolWeight> (10)
474.5548

>  <Cat> (10)
S1107

>  <Name> (10)
Danusertib (PHA-739358)

>  <Synonyms> (10)
N/A 

>  <Target> (10)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (10)
Free Base

>  <CAS> (10)
827318-97-8

>  <URL> (10)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
AT9283.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (11)
81

>  <Formula> (11)
C19H23N7O2

>  <MolWeight> (11)
381.43162

>  <Cat> (11)
S1134

>  <Name> (11)
AT9283

>  <Synonyms> (11)
N/A

>  <Target> (11)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (11)
Free Base

>  <CAS> (11)
896466-04-9

>  <URL> (11)
http://www.selleckchem.com/products/AT9283.html

$$$$
untitled.cdx
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M  END
>  <Mol_ID> (12)
84

>  <Formula> (12)
C31H43N3O8

>  <MolWeight> (12)
585.68842

>  <Cat> (12)
S1141

>  <Name> (12)
17-AAG (Tanespimycin)

>  <Synonyms> (12)
N/A 

>  <Target> (12)
HSP

>  <Form> (12)
Free Base

>  <CAS> (12)
75747-14-7

>  <URL> (12)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
17-DMAG.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (13)
86

>  <Formula> (13)
C32H49ClN4O8

>  <MolWeight> (13)
653.20646

>  <Cat> (13)
S1142

>  <Name> (13)
17-DMAG HCl (Alvespimycin)

>  <Synonyms> (13)
NSC 707545 

>  <Target> (13)
HSP

>  <Form> (13)
Hydrochloride

>  <CAS> (13)
467214-21-7

>  <URL> (13)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
Docetaxel.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (14)
91

>  <Formula> (14)
C43H53NO14

>  <MolWeight> (14)
807.87922

>  <Cat> (14)
S1148

>  <Name> (14)
Docetaxel (Taxotere)

>  <Synonyms> (14)
N/A 

>  <Target> (14)
Microtubule Associated

>  <Form> (14)
Free Base

>  <CAS> (14)
114977-28-5

>  <URL> (14)
http://www.selleckchem.com/products/Docetaxel(Taxotere).html

$$$$
Paclitaxel.cdx
csChFnd80/01212111362D

 62 68  0  0  0  0  0  0  0  0999 V2000
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Microtubule Associated

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33069-62-4

>  <URL> (15)
http://www.selleckchem.com/products/Paclitaxel(Taxol).html

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>  <Target> (16)
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>  <Form> (16)
Free Base

>  <CAS> (16)
141430-65-1

>  <URL> (16)
http://www.selleckchem.com/products/ABT-751.html

$$$$
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HSP

>  <Form> (17)
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>  <CAS> (17)
848695-25-0

>  <URL> (17)
http://www.selleckchem.com/products/BIIB021.html

$$$$
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 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (18)
105

>  <Formula> (18)
C19H20N4O2

>  <MolWeight> (18)
336.3877

>  <Cat> (18)
S1176

>  <Name> (18)
NPI-2358 (Plinabulin)

>  <Synonyms> (18)
N/A

>  <Target> (18)
VDA

>  <Form> (18)
Free Base

>  <CAS> (18)
714272-27-2

>  <URL> (18)
http://www.selleckchem.com/products/NPI-2358.html

$$$$
XAV-939.cdx
csChFnd80/01212111362D

 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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    9.0951    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1024    4.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (19)
109

>  <Formula> (19)
C14H11F3N2OS

>  <MolWeight> (19)
312.3101496

>  <Cat> (19)
S1180

>  <Name> (19)
XAV-939

>  <Synonyms> (19)
N/A 

>  <Target> (19)
Wnt/beta-catenin

>  <Form> (19)
Free Base

>  <CAS> (19)
284028-89-3

>  <URL> (19)
http://www.selleckchem.com/products/XAV-939.html

$$$$
2-Methoxyestradiol.cdx
csChFnd80/01212111362D

 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
    9.8101    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8410    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5101    5.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  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> (20)
140

>  <Formula> (20)
C19H26O3

>  <MolWeight> (20)
302.40794

>  <Cat> (20)
S1233

>  <Name> (20)
2-Methoxyestradiol

>  <Synonyms> (20)
2-ME2

>  <Target> (20)
HIF

>  <Form> (20)
Free Base

>  <CAS> (20)
362-07-2

>  <URL> (20)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Epothilone A.cdx
csChFnd80/01212111362D

 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
    2.4291    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (21)
204

>  <Formula> (21)
C26H39NO6S

>  <MolWeight> (21)
493.65596

>  <Cat> (21)
S1297

>  <Name> (21)
Epothilone A

>  <Synonyms> (21)
N/A

>  <Target> (21)
Microtubule Associated

>  <Form> (21)
Free Base

>  <CAS> (21)
152044-53-6

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

$$$$
ON-01910.cdx
csChFnd80/01212111362D

 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
    6.0664    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2831    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   10.5097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706   11.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    7.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    9.1073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357   10.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   10.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8000    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
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  2  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  1 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
 15 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
M  END
>  <Mol_ID> (22)
232

>  <Formula> (22)
C21H24NNaO8S

>  <MolWeight> (22)
473.47193

>  <Cat> (22)
S1362

>  <Name> (22)
Rigosertib (ON-01910)

>  <Synonyms> (22)
ON-01910

>  <Target> (22)
PLK

>  <Form> (22)
Sodium Salt

>  <CAS> (22)
1225497-78-8

>  <URL> (22)
http://www.selleckchem.com/products/ON-01910.html

$$$$
EpothiloneB.cdx
csChFnd80/01212111362D

 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
    6.0580    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (23)
234

>  <Formula> (23)
C27H41NO6S

>  <MolWeight> (23)
507.68254

>  <Cat> (23)
S1364

>  <Name> (23)
Patupilone (EPO906, Epothilone B)

>  <Synonyms> (23)
N/A 

>  <Target> (23)
Microtubule Associated

>  <Form> (23)
Free Base

>  <CAS> (23)
152044-54-7

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

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (24)
280

>  <Formula> (24)
C30H33ClN4O2

>  <MolWeight> (24)
517.06162

>  <Cat> (24)
S1452

>  <Name> (24)
Ispinesib (SB-715992)

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Kinesin

>  <Form> (24)
Free Base

>  <CAS> (24)
336113-53-2

>  <URL> (24)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
Thiazovivin.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (25)
285

>  <Formula> (25)
C15H13N5OS

>  <MolWeight> (25)
311.36162

>  <Cat> (25)
S1459

>  <Name> (25)
Thiazovivin

>  <Synonyms> (25)
N/A

>  <Target> (25)
ROCK

>  <Form> (25)
Free Base

>  <CAS> (25)
1226056-71-8

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

$$$$
GSK429286A.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (26)
295

>  <Formula> (26)
C21H16F4N4O2

>  <MolWeight> (26)
432.3709528

>  <Cat> (26)
S1474

>  <Name> (26)
GSK429286A

>  <Synonyms> (26)
N/A

>  <Target> (26)
ROCK 

>  <Form> (26)
Free Base

>  <CAS> (26)
864082-47-3

>  <URL> (26)
http://www.selleckchem.com/products/GSK429286A.html

$$$$
AP24534.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (27)
308

>  <Formula> (27)
C29H27F3N6O

>  <MolWeight> (27)
532.5594896

>  <Cat> (27)
S1490

>  <Name> (27)
Ponatinib (AP24534)

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (27)
Free Base

>  <CAS> (27)
943319-70-8

>  <URL> (27)
http://www.selleckchem.com/products/AP24534.html

$$$$
PHT-427.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (28)
341

>  <Formula> (28)
C20H31N3O2S2

>  <MolWeight> (28)
409.60904

>  <Cat> (28)
S1556

>  <Name> (28)
PHT-427

>  <Synonyms> (28)
N/A 

>  <Target> (28)
Akt, PDK-1

>  <Form> (28)
Free Base

>  <CAS> (28)
1191951-57-1

>  <URL> (28)
http://www.selleckchem.com/products/PHT-427.html

$$$$
AT7867.cdx
csChFnd80/01212111362D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
344

>  <Formula> (29)
C20H20ClN3

>  <MolWeight> (29)
337.8459

>  <Cat> (29)
S1558

>  <Name> (29)
AT7867

>  <Synonyms> (29)
N/A

>  <Target> (29)
Akt, S6 kinase

>  <Form> (29)
Free Base

>  <CAS> (29)
857531-00-1

>  <URL> (29)
http://www.selleckchem.com/products/AT7867.html

$$$$
Fasudil HCl.cdx
csChFnd80/01212111362D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
352

>  <Formula> (30)
C14H18ClN3O2S

>  <MolWeight> (30)
327.82962

>  <Cat> (30)
S1573

>  <Name> (30)
Fasudil HCl (HA-1077)

>  <Synonyms> (30)
AT-877 

>  <Target> (30)
ROCK

>  <Form> (30)
Hydrochloride

>  <CAS> (30)
105628-07-7

>  <URL> (30)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/01212111362D

 18 19  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (31)
384

>  <Formula> (31)
C12H15N3O2S

>  <MolWeight> (31)
265.3314

>  <Cat> (31)
S1640

>  <Name> (31)
Albendazole (Albenza)

>  <Synonyms> (31)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (31)
Microtubule Associated

>  <Form> (31)
Free Base

>  <CAS> (31)
54965-21-8

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

$$$$
APRISO (mesalamine).cdx
csChFnd80/01212111362D

 11 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (32)
410

>  <Formula> (32)
C7H7NO3

>  <MolWeight> (32)
153.13538

>  <Cat> (32)
S1681

>  <Name> (32)
Mesalamine (Lialda)

>  <Synonyms> (32)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (32)
I¦ÊB/IKK

>  <Form> (32)
Free Base

>  <CAS> (32)
89-57-6

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

$$$$
DCC-2036.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (33)
427

>  <Formula> (33)
C30H28FN7O3

>  <MolWeight> (33)
553.5868232

>  <Cat> (33)
S2634

>  <Name> (33)
DCC-2036 (Rebastinib)

>  <Synonyms> (33)
N/A 

>  <Target> (33)
Bcr-Abl

>  <Form> (33)
Free Base

>  <CAS> (33)
1020172-07-9

>  <URL> (33)
http://www.selleckchem.com/products/dcc-2036.html

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01212111362D

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>  <Mol_ID> (34)
492

>  <Formula> (34)
C32H37NO8

>  <MolWeight> (34)
563.63808

>  <Cat> (34)
S1972

>  <Name> (34)
Tamoxifen Citrate (Nolvadex)

>  <Synonyms> (34)
Istubal

>  <Target> (34)
Estrogen/progestogen Receptor

>  <Form> (34)
Citrate

>  <CAS> (34)
54965-24-1

>  <URL> (34)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

$$$$
AT13387.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (35)
548

>  <Formula> (35)
C24H31N3O3

>  <MolWeight> (35)
409.52124

>  <Cat> (35)
S1163

>  <Name> (35)
Onalespib (AT13387)

>  <Synonyms> (35)
N/A

>  <Target> (35)
HSP

>  <Form> (35)
Free Base

>  <CAS> (35)
912999-49-6

>  <URL> (35)
http://www.selleckchem.com/products/at13387.html

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/01212111362D

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>  <Mol_ID> (36)
551

>  <Formula> (36)
C20H20N4O3

>  <MolWeight> (36)
364.3978

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S1159

>  <Name> (36)
Ganetespib (STA-9090)

>  <Synonyms> (36)
N/A 

>  <Target> (36)
HSP

>  <Form> (36)
Free Base

>  <CAS> (36)
888216-25-9

>  <URL> (36)
http://www.selleckchem.com/products/ganetespib-sta-9090.html

$$$$
KW-2478.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (37)
561

>  <Formula> (37)
C30H42N2O9

>  <MolWeight> (37)
574.66248

>  <Cat> (37)
S2685

>  <Name> (37)
KW-2478

>  <Synonyms> (37)
N/A

>  <Target> (37)
HSP

>  <Form> (37)
Free Base

>  <CAS> (37)
819812-04-9

>  <URL> (37)
http://www.selleckchem.com/products/kw-2478.html

$$$$
Nocodazole.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (38)
580

>  <Formula> (38)
C14H11N3O3S

>  <MolWeight> (38)
301.32044

>  <Cat> (38)
S2775

>  <Name> (38)
Nocodazole

>  <Synonyms> (38)
N/A 

>  <Target> (38)
Microtubule Associated

>  <Form> (38)
Free Base

>  <CAS> (38)
31430-18-9

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

$$$$
Cabazitaxel.cdx
csChFnd80/01212111362D

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1001264-89-6

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M  END
>  <Mol_ID> (43)
625

>  <Formula> (43)
C15H10O7

>  <MolWeight> (43)
302.2357

>  <Cat> (43)
S2391

>  <Name> (43)
Quercetin (Sophoretin)

>  <Synonyms> (43)
Meletin, Quercetine

>  <Target> (43)
PI3K, PKC, Src, Sirtuin

>  <Form> (43)
Free Base

>  <CAS> (43)
117-39-5

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

$$$$
KW2449.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (44)
655

>  <Formula> (44)
C20H20N4O

>  <MolWeight> (44)
332.399

>  <Cat> (44)
S2158

>  <Name> (44)
KW 2449

>  <Synonyms> (44)
N/A

>  <Target> (44)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (44)
Free Base

>  <CAS> (44)
1000669-72-6

>  <URL> (44)
http://www.selleckchem.com/products/KW-2449.html

$$$$
Daphnetin.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (45)
659

>  <Formula> (45)
C9H6O4

>  <MolWeight> (45)
178.14154

>  <Cat> (45)
S2554

>  <Name> (45)
Daphnetin

>  <Synonyms> (45)
N/A 

>  <Target> (45)
DNA/RNA Synthesis

>  <Form> (45)
Free Base

>  <CAS> (45)
486-35-1

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

$$$$
SB743921.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (46)
668

>  <Formula> (46)
C31H34Cl2N2O3

>  <MolWeight> (46)
553.51926

>  <Cat> (46)
S2182

>  <Name> (46)
SB743921 HCl

>  <Synonyms> (46)
N/A

>  <Target> (46)
Kinesin

>  <Form> (46)
Hydrochloride

>  <CAS> (46)
940929-33-9

>  <URL> (46)
http://www.selleckchem.com/products/SB-743921.html

$$$$
CYT997.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (47)
675

>  <Formula> (47)
C24H30N6O2

>  <MolWeight> (47)
434.534

>  <Cat> (47)
S2195

>  <Name> (47)
CYT997

>  <Synonyms> (47)
N/A

>  <Target> (47)
Microtubule Associated

>  <Form> (47)
Free Base

>  <CAS> (47)
917111-44-5

>  <URL> (47)
http://www.selleckchem.com/products/CYT997.html

$$$$
NVP-BHG712.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (48)
679

>  <Formula> (48)
C26H20F3N7O

>  <MolWeight> (48)
503.4785096

>  <Cat> (48)
S2202

>  <Name> (48)
NVP-BHG712

>  <Synonyms> (48)
N/A

>  <Target> (48)
VEGFR, Src, Raf, Bcr-Abl

>  <Form> (48)
Free Base

>  <CAS> (48)
940310-85-0

>  <URL> (48)
http://www.selleckchem.com/products/NVP-BHG712.html

$$$$
Honokiol.cdx
csChFnd80/01212111362D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (49)
733

>  <Formula> (49)
C18H18O2

>  <MolWeight> (49)
266.33432

>  <Cat> (49)
S2310

>  <Name> (49)
Honokiol

>  <Synonyms> (49)
N/A

>  <Target> (49)
Akt, MEK

>  <Form> (49)
Free Base

>  <CAS> (49)
35354-74-6

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

$$$$
Myricitrin.cdx
csChFnd80/01212111362D

 33 36  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> (50)
746

>  <Formula> (50)
C21H20O12

>  <MolWeight> (50)
464.3763

>  <Cat> (50)
S2327

>  <Name> (50)
Myricitrin (Myricitrine)

>  <Synonyms> (50)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (50)
PKC

>  <Form> (50)
Free Base

>  <CAS> (50)
17912-87-7

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

$$$$
Oridonin.cdx
csChFnd80/01212111362D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
752

>  <Formula> (51)
C20H28O6

>  <MolWeight> (51)
364.43272

>  <Cat> (51)
S2335

>  <Name> (51)
Oridonin (Isodonol)

>  <Synonyms> (51)
Isodonol

>  <Target> (51)
Others

>  <Form> (51)
Free Base

>  <CAS> (51)
28957-04-2

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

$$$$
Imatinib.cdx
csChFnd80/01212111362D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (52)
790

>  <Formula> (52)
C29H31N7O

>  <MolWeight> (52)
493.60274

>  <Cat> (52)
S2475

>  <Name> (52)
Imatinib (STI571) 

>  <Synonyms> (52)
STI571, Glivec

>  <Form> (52)
Free Base

>  <CAS> (52)
152459-95-5

>  <URL> (52)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$

csChFnd80/01212111362D

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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (53)
802

>  <Formula> (53)
C22H30Cl2N4O6

>  <MolWeight> (53)
517.4028

>  <Cat> (53)
S2485

>  <Name> (53)
Mitoxantrone 2HCl

>  <Synonyms> (53)
NSC-301739

>  <Target> (53)
Topoisomerase

>  <Form> (53)
Dihydrochloride

>  <CAS> (53)
70476-82-3

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

$$$$
fty720.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (54)
839

>  <Formula> (54)
C19H34ClNO2

>  <MolWeight> (54)
343.93176

>  <Cat> (54)
S5002

>  <Name> (54)
Fingolimod (FTY720) HCl

>  <Synonyms> (54)
Gilenia 

>  <Target> (54)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (54)
Hydrochloride

>  <URL> (54)
http://www.selleckchem.com/products/FTY720.html

$$$$
CK-1827452.cdx
csChFnd80/01212111362D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 17 11  1  0  0  0  0
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M  END
>  <Mol_ID> (55)
855

>  <Formula> (55)
C20H24FN5O3

>  <MolWeight> (55)
401.4346632

>  <Cat> (55)
S2623

>  <Name> (55)
Omecamtiv mecarbil (CK-1827452)

>  <Synonyms> (55)
CK-1827452, CK1827452 

>  <Target> (55)
ATPase

>  <Form> (55)
Free Base

>  <CAS> (55)
873697-71-3

>  <URL> (55)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

$$$$
PP121.cdx
csChFnd80/01212111362D

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Akt

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Free Base

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885499-61-6

>  <URL> (57)
http://www.selleckchem.com/products/cct128930.html

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>  <URL> (59)
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http://www.selleckchem.com/products/snx-2112.html

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Akt

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Free Base

>  <CAS> (61)
937174-76-0

>  <URL> (61)
http://www.selleckchem.com/products/GSK690693.html

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>  <CAS> (62)
780757-88-2

>  <URL> (62)
http://www.selleckchem.com/products/icg-001.html

$$$$
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>  <Synonyms> (63)
N/A 

>  <Target> (63)
HSP

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908115-27-5

>  <URL> (63)
http://www.selleckchem.com/products/pf-04929113.html

$$$$
Geldanamycin.cdx
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M  END
>  <Mol_ID> (64)
922

>  <Formula> (64)
C29H40N2O9

>  <MolWeight> (64)
560.6359

>  <Cat> (64)
S2713

>  <Name> (64)
Geldanamycin

>  <Synonyms> (64)
N/A

>  <Target> (64)
HSP

>  <Form> (64)
Free Base

>  <CAS> (64)
30562-34-6

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

$$$$
AZ3146.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (65)
933

>  <Formula> (65)
C24H32N6O3

>  <MolWeight> (65)
452.54928

>  <Cat> (65)
S2731

>  <Name> (65)
AZ 3146

>  <Synonyms> (65)
N/A

>  <Target> (65)
Kinesin

>  <Form> (65)
Free Base

>  <CAS> (65)
1124329-14-1

>  <URL> (65)
http://www.selleckchem.com/products/az-3146.html

$$$$
PF-04691502.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (66)
960

>  <Formula> (66)
C22H27N5O4

>  <MolWeight> (66)
425.48088

>  <Cat> (66)
S2743

>  <Name> (66)
PF-04691502

>  <Synonyms> (66)
N/A

>  <Target> (66)
mTOR, PI3K, Akt

>  <Form> (66)
Free Base

>  <CAS> (66)
1013101-36-4 

>  <URL> (66)
http://www.selleckchem.com/products/pf-04691502.html

$$$$
Albendazole oxide.cdx
csChFnd80/01212111362D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (67)
975

>  <Formula> (67)
C12H15N3O3S

>  <MolWeight> (67)
281.3308

>  <Cat> (67)
S1836

>  <Name> (67)
Albendazole Oxide (Ricobendazole)

>  <Synonyms> (67)
N/A 

>  <Target> (67)
Microtubule Associated

>  <Form> (67)
Free Base

>  <CAS> (67)
54029-12-8

>  <URL> (67)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

$$$$
Cephalomannine.cdx
csChFnd80/01212111362D

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

>  <URL> (68)
http://www.selleckchem.com/products/cephalomannine.html

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N/A

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>  <CAS> (69)
251992-66-2

>  <URL> (69)
http://www.selleckchem.com/products/a-205804.html

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NF-¦ÊB

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>  <CAS> (70)
38748-32-2

>  <URL> (70)
http://www.selleckchem.com/products/triptolide.html

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M  END
>  <Mol_ID> (75)
1311

>  <Formula> (75)
C17H17ClO6

>  <MolWeight> (75)
352.76628

>  <Cat> (75)
S4071

>  <Name> (75)
Griseofulvin

>  <Synonyms> (75)
N/A

>  <Target> (75)
Microtubule Associated

>  <Form> (75)
Free Base

>  <CAS> (75)
126-07-8

>  <URL> (75)
http://www.selleckchem.com/products/griseofulvin.html

$$$$
triclabendazole.cdx
csChFnd80/01212111362D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (76)
1375

>  <Formula> (76)
C14H9Cl3N2OS

>  <MolWeight> (76)
359.65806

>  <Cat> (76)
S4114

>  <Name> (76)
Triclabendazole

>  <Synonyms> (76)
N/A

>  <Target> (76)
Microtubule Associated

>  <Form> (76)
Free Base

>  <CAS> (76)
68786-66-3

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

$$$$
untitled.cdx
csChFnd80/01212111362D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.2572    1.2898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1 23  1  6  0  0  0
  2 22  1  6  0  0  0
M  END
>  <Mol_ID> (77)
1463

>  <Formula> (77)
C13H16N6O4

>  <MolWeight> (77)
320.30394

>  <Cat> (77)
S1117

>  <Name> (77)
Triciribine

>  <Synonyms> (77)
N/A

>  <Target> (77)
Akt

>  <Form> (77)
Free Base

>  <CAS> (77)
35943-35-2

>  <URL> (77)
http://www.selleckchem.com/products/Triciribine.html

$$$$
Pifithrin-¦Ì.cdx
csChFnd80/01212111362D

 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
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    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
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M  END
>  <Mol_ID> (78)
1465

>  <Formula> (78)
C8H7NO2S

>  <MolWeight> (78)
181.21168

>  <Cat> (78)
S2930

>  <Name> (78)
Pifithrin-¦Ì

>  <Synonyms> (78)
NSC 303580, PFT¦Ì

>  <Target> (78)
p53

>  <Form> (78)
Free Base

>  <CAS> (78)
64984-31-2

>  <URL> (78)
http://www.selleckchem.com/products/pifithrin-u.html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/01212111362D

 79 85  0  0  0  0  0  0  0  0999 V2000
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   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
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M  END
>  <Mol_ID> (79)
1498

>  <Formula> (79)
C53H66N4O20

>  <MolWeight> (79)
1079.10594

>  <Cat> (79)
S4269

>  <Name> (79)
Vinorelbine Tartrate

>  <Synonyms> (79)
N/A

>  <Target> (79)
Microtubule Associated

>  <Form> (79)
Tartrate

>  <CAS> (79)
125317-39-7

>  <URL> (79)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/01212111362D

 68 75  0  0  0  0  0  0  0  0999 V2000
    5.3471    4.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 49 50  2  0  0  0  0
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M  END
>  <Mol_ID> (80)
1502

>  <Formula> (80)
C46H58N4O14S

>  <MolWeight> (80)
923.03612

>  <Cat> (80)
S1241

>  <Name> (80)
Vincristine Sulfate

>  <Synonyms> (80)
Leurocristine

>  <Target> (80)
Microtubule Associ

>  <Form> (80)
Free Base

>  <CAS> (80)
2068-78-2

>  <URL> (80)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Meclofenamate sodium.cdx
csChFnd80/01212111362D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    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
    7.2746    2.1000    0.0000 C   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
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    3.6373    2.8000    0.0000 N   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
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (81)
1523

>  <Formula> (81)
C14H10Cl2NNaO2

>  <MolWeight> (81)
318.13047

>  <Cat> (81)
S4295

>  <Name> (81)
Meclofenamate sodium

>  <Synonyms> (81)
N/A

>  <Target> (81)
COX

>  <Form> (81)
Sodium Salt

>  <CAS> (81)
6385-02-0

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

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/01212111362D

 41 42  0  0  0  0  0  0  0  0999 V2000
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 10 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
  1 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
 20 22  1  0  0  0  0
  7 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 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> (82)
1563

>  <Formula> (82)
C32H37NO8

>  <MolWeight> (82)
563.63808

>  <Cat> (82)
S1238

>  <Name> (82)
Tamoxifen

>  <Synonyms> (82)
10540-29-1

>  <Target> (82)
Estrogen/progestogen Receptor

>  <Form> (82)
Free Base

>  <CAS> (82)
ICI 46474

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/01212111362D

 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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   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
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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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   10.6237   14.7587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1957   14.1778    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> (83)
1564

>  <Formula> (83)
C46H60N4O13S

>  <MolWeight> (83)
909.0526

>  <Cat> (83)
S4505

>  <Name> (83)
Vinblastine sulfate

>  <Synonyms> (83)
NSC49842

>  <Target> (83)
Microtubule Associated

>  <Form> (83)
Free Base

>  <CAS> (83)
143-67-9

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

$$$$
i-Inositol.cdx
csChFnd80/01212111362D

 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> (84)
1579

>  <Formula> (84)
C6H12O6

>  <MolWeight> (84)
180.15588

>  <Cat> (84)
S4530

>  <Name> (84)
i-Inositol

>  <Synonyms> (84)
myo-inositol

>  <Target> (84)
Others

>  <Form> (84)
Free Base

>  <CAS> (84)
87-89-8

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

$$$$
Methylene Blue.cdx
csChFnd80/01212111362D

 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> (85)
1599

>  <Formula> (85)
C16H18ClN3S

>  <MolWeight> (85)
319.85222

>  <Cat> (85)
S4535

>  <Name> (85)
Methylene Blue

>  <Synonyms> (85)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (85)
Others

>  <Form> (85)
Free Base

>  <CAS> (85)
61-73-4

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

$$$$
NS-187.cdx
csChFnd80/01212111362D

 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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   14.5282    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   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
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    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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 13  8  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (86)
1745

>  <Formula> (86)
C30H31F3N8O

>  <MolWeight> (86)
576.6153496

>  <Cat> (86)
S1369

>  <Name> (86)
Bafetinib (INNO-406)

>  <Synonyms> (86)
NS-187

>  <Target> (86)
Abl,Lyn

>  <Form> (86)
Free Base

>  <CAS> (86)
859212-16-1

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

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/01212111362D

 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
   19.6373    9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.0311    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.8583   11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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   16.0655    8.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.2108    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.3419    2.0782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0892    4.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2490    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9804    4.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6966    2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   19.1428    2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7161    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0934    0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4170    9.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5406   10.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9270    2.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2029    7.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4157    8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
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 30 35  1  0  0  0  0
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 33 38  1  0  0  0  0
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 34 39  2  0  0  0  0
 34 40  1  0  0  0  0
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 39 41  1  0  0  0  0
 40 42  2  0  0  0  0
 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> (87)
1748

>  <Formula> (87)
C37H42Cl2N2O6

>  <MolWeight> (87)
681.64518

>  <Cat> (87)
S3609

>  <Name> (87)
Berbamine (dihydrochloride)

>  <Synonyms> (87)
N/A

>  <Target> (87)
NF-¦ÊB,bcr/abl

>  <Form> (87)
dihydrochloride

>  <CAS> (87)
6078-17-7

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

$$$$
S3699 2,3-Butanedione-2-monoxime.cdx
csChFnd80/01212111362D

  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> (88)
1761

>  <Formula> (88)
C4H7NO2

>  <MolWeight> (88)
101.10388

>  <Cat> (88)
S3699

>  <Name> (88)
2,3-Butanedione-2-monoxime

>  <Synonyms> (88)
Diacetyl monoxime, Diacetylmonoxime

>  <Target> (88)
skeletal muscle myosin-II

>  <Form> (88)
free base

>  <CAS> (88)
57-71-6

>  <URL> (88)
http://www.selleckchem.com/products/2-3-butanedione-2-monoxime.html

$$$$
S3630 Methyl Vanillate.cdx
csChFnd80/01212111362D

 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> (89)
1772

>  <Formula> (89)
C9H10O4

>  <MolWeight> (89)
182.1733

>  <Cat> (89)
S3630

>  <Name> (89)
Methyl Vanillate

>  <Synonyms> (89)
N/A

>  <Target> (89)
Wnt/¦Â-Catenin

>  <Form> (89)
free base

>  <CAS> (89)
3943-74-6

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/01212111362D

 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
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    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
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    3.6373    0.0000    0.0000 O   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
  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
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
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  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (90)
1788

>  <Formula> (90)
C11H8O3

>  <MolWeight> (90)
188.17942

>  <Cat> (90)
S3661

>  <Name> (90)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (90)
N/A

>  <Target> (90)
PKC

>  <Form> (90)
free base

>  <CAS> (90)
2348-82-5

>  <URL> (90)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3714 Lifitegrast.cdx
csChFnd80/01212111362D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (91)
1832

>  <Formula> (91)
C29H24Cl2N2O7S

>  <MolWeight> (91)
615.48106

>  <Cat> (91)
S3714

>  <Name> (91)
Lifitegrast

>  <Synonyms> (91)
SAR1118

>  <Target> (91)
Integrin

>  <Form> (91)
free base

>  <CAS> (91)
1025967-78-5

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

$$$$
Colchicine.cdx
csChFnd80/01212111362D

 30 32  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 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 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  1  0  0  0  0
 16  8  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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  9 20  1  6  0  0  0
 20 21  1  0  0  0  0
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 21 23  2  0  0  0  0
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  5 25  1  0  0  0  0
  4 26  1  0  0  0  0
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 26 29  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
1866

>  <Formula> (92)
C22H25NO6

>  <MolWeight> (92)
399.437

>  <Cat> (92)
S2284

>  <Name> (92)
Colchicine

>  <Synonyms> (92)
Colchineos, Colchisol, Colcin

>  <Target> (92)
Microtubule Associated inhibitor 

>  <Form> (92)
free base

>  <CAS> (92)
64-86-8

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

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/01212111362D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
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 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
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 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (93)
1892

>  <Formula> (93)
C19H20O5

>  <MolWeight> (93)
328.3591

>  <Cat> (93)
S3819

>  <Name> (93)
Decursinol angelate

>  <Synonyms> (93)
N/A

>  <Target> (93)
PKC

>  <Form> (93)
free base

>  <CAS> (93)
130848-06-5

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

$$$$
S3842 Isoquercitrin.cdx
csChFnd80/01212111362D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    9.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 27 29  1  6  0  0  0
 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> (94)
1909

>  <Formula> (94)
C21H20O12

>  <MolWeight> (94)
464.3763

>  <Cat> (94)
S3842

>  <Name> (94)
Isoquercitrin

>  <Synonyms> (94)
Hirsutrin, 3-Glucosylquercetin, Quercetin 3-o-glucopyranoside

>  <Target> (94)
Wnt/¦Â-catenin

>  <Form> (94)
free base

>  <CAS> (94)
482-35-9

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

$$$$
S3933 10-deacetyl-paclitaxel,10-DAT.cdx
csChFnd80/01212111362D

 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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>  <Mol_ID> (95)
1938

>  <Formula> (95)
C45H49NO13

>  <MolWeight> (95)
811.86946

>  <Cat> (95)
S3933

>  <Name> (95)
10-deacetyl-paclitaxel

>  <Synonyms> (95)
10-DAT, Deacetyl Paclitaxel

>  <Target> (95)
Others

>  <Form> (95)
free base

>  <CAS> (95)
78432-77-6

>  <URL> (95)
http://www.selleckchem.com/products/10-deacetyl-paclitaxel.html

$$$$
S3901 Astragaloside IV.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (96)
1980

>  <Formula> (96)
C41H68O14

>  <MolWeight> (96)
784.97022

>  <Cat> (96)
S3901

>  <Name> (96)
Astragaloside IV

>  <Synonyms> (96)
AST-IV, AS-IV

>  <Target> (96)
Others

>  <Form> (96)
free base

>  <CAS> (96)
84687-43-4

>  <URL> (96)
http://www.selleckchem.com/products/sastragaloside-iv.html

$$$$
INCB28060.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (97)
2003

>  <Formula> (97)
C23H17FN6O

>  <MolWeight> (97)
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>  <Cat> (97)
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>  <Name> (97)
Capmatinib (INCB28060)

>  <Synonyms> (97)
N/A

>  <Target> (97)
c-Met 

>  <Form> (97)
Free Base

>  <CAS> (97)
1029712-80-8

>  <URL> (97)
http://www.selleckchem.com/products/incb28060.html

$$$$
KY02111.cdx
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>  <Mol_ID> (98)
2016

>  <Formula> (98)
C18H17ClN2O3S

>  <MolWeight> (98)
376.85718

>  <Cat> (98)
S7096

>  <Name> (98)
KY02111

>  <Synonyms> (98)
N/A

>  <Target> (98)
Wnt/beta-catenin

>  <Form> (98)
Free Base

>  <CAS> (98)
1118807-13-8

>  <URL> (98)
https://www.selleckchem.com/products/ky02111.html

$$$$
IPA-3.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (99)
2017

>  <Formula> (99)
C20H14O2S2

>  <MolWeight> (99)
350.45396

>  <Cat> (99)
S7093

>  <Name> (99)
IPA-3

>  <Synonyms> (99)
N/A

>  <Target> (99)
PAK

>  <Form> (99)
Free Base

>  <CAS> (99)
42521-82-4

>  <URL> (99)
https://www.selleckchem.com/products/ipa-3.html

$$$$
P505-15.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (100)
2022

>  <Formula> (100)
C19H24ClN9O

>  <MolWeight> (100)
429.90656

>  <Cat> (100)
S8032

>  <Name> (100)
PRT062607 (P505-15, PRT2607, BIIB057) HCl

>  <Synonyms> (100)
N/A

>  <Target> (100)
Syk

>  <Form> (100)
Hydrochloride

>  <CAS> (100)
1370261-97-4,1370261-96-3(free base)

>  <URL> (100)
https://www.selleckchem.com/products/prt062607-p505-15-hcl.html

$$$$
XL888.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (101)
2027

>  <Formula> (101)
C29H37N5O3

>  <MolWeight> (101)
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XL888

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N/A

>  <Target> (101)
HSP (e.g. HSP90)

>  <Form> (101)
Free Base

>  <CAS> (101)
1149705-71-4

>  <URL> (101)
https://www.selleckchem.com/products/xl888.html

$$$$
GZD824.cdx
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    4.1988    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4988    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4988    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8988    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5988    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8988    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4988    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5988    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8112    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2988    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9988    3.6373    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
   16.0988    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6988    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7988    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0988    7.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5314   11.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2893   10.6328    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
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
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  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
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 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
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 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> (102)
2046

>  <Formula> (102)
C31H35F3N6O7S2

>  <MolWeight> (102)
724.7708096

>  <Cat> (102)
S7194

>  <Name> (102)
GZD824 Dimesylate 

>  <Synonyms> (102)
N/A

>  <Target> (102)
Bcr-Abl

>  <Form> (102)
Mesylate

>  <CAS> (102)
1421783-64-3

>  <URL> (102)
http://www.selleckchem.com/products/gzd824.html

$$$$
RKI-1447.cdx
csChFnd80/01212111362D

 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
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    3.7836    4.1923    0.0000 C   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
   12.2878    3.3581    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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  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> (103)
2048

>  <Formula> (103)
C16H14N4O2S

>  <MolWeight> (103)
326.37296

>  <Cat> (103)
S7195

>  <Name> (103)
RKI-1447

>  <Synonyms> (103)
N/A

>  <Target> (103)
ROCK

>  <Form> (103)
Free Base

>  <CAS> (103)
1342278-01-6

>  <URL> (103)
http://www.selleckchem.com/products/rki-1447.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/01212111362D

 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
    2.1544    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0041    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0041    7.6927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7917    8.3927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3356    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1585    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2123    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7667    4.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    8.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0041    4.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  7 15  1  6  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 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
  1 27  1  0  0  0  0
 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> (104)
2063

>  <Formula> (104)
C21H20O8

>  <MolWeight> (104)
400.3787

>  <Cat> (104)
S2254

>  <Name> (104)
4'-Demethylepipodophyllotoxin

>  <Synonyms> (104)
DMEP

>  <Target> (104)
Microtubule Associated

>  <Form> (104)
free base

>  <CAS> (104)
6559-91-7

>  <URL> (104)
http://www.selleckchem.com/products/4-Demethylepipodophyllotoxin.html

$$$$
S5006 Teprenone.cdx
csChFnd80/01212111362D

 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
   14.5492    0.0000    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
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
   18.1865    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
   19.3990    0.0000    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
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
   21.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    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
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (105)
2196

>  <Formula> (105)
C23H38O

>  <MolWeight> (105)
330.54722

>  <Cat> (105)
S5006

>  <Name> (105)
Teprenone

>  <Synonyms> (105)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (105)
Others

>  <CAS> (105)
6809-52-5

>  <URL> (105)
http://selleckchem.com/products/teprenone.html

$$$$
S4953 Usnic acid.cdx
csChFnd80/01212111362D

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.0222    2.1098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6216    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0222    3.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (106)
2213

>  <Formula> (106)
C18H16O7

>  <MolWeight> (106)
344.31544

>  <Cat> (106)
S4953

>  <Name> (106)
Usnic acid

>  <Synonyms> (106)
Usniacin

>  <Target> (106)
Others

>  <Form> (106)
free base

>  <CAS> (106)
125-46-2

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

$$$$
S3785 Notoginsenoside R1.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (107)
2271

>  <Formula> (107)
C47H80O18

>  <MolWeight> (107)
933.1273

>  <Cat> (107)
S3785

>  <Name> (107)
Notoginsenoside R1

>  <Synonyms> (107)
Sanchinoside R1

>  <Target> (107)
Others

>  <Form> (107)
free base

>  <CAS> (107)
80418-24-2

>  <URL> (107)
http://selleckchem.com/products/notoginsenoside-r1.html

$$$$
S3970 Vindoline.cdx
csChFnd80/01212111362D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (108)
2275

>  <Formula> (108)
C25H32N2O6

>  <MolWeight> (108)
456.53138

>  <Cat> (108)
S3970

>  <Name> (108)
Vindoline

>  <Synonyms> (108)
N/A

>  <Target> (108)
Microtubule Associated

>  <Form> (108)
free base

>  <CAS> (108)
2182-14-1

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/01212111362D

 44 48  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (109)
2284

>  <Formula> (109)
C29H36O15

>  <MolWeight> (109)
624.58714

>  <Cat> (109)
S2323

>  <Name> (109)
Methyl-Hesperidin

>  <Form> (109)
free base

>  <CAS> (109)
 11013-97-1

$$$$
S3810 Scutellarin.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (110)
2289

>  <Formula> (110)
C21H18O12

>  <MolWeight> (110)
462.36042

>  <Cat> (110)
S3810

>  <Name> (110)
Scutellarin

>  <Synonyms> (110)
Breviscapine, Breviscapin, Scutellarein-7-glucuronide

>  <Target> (110)
Others

>  <Form> (110)
free base

>  <CAS> (110)
27740-01-8

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

$$$$
untitled.cdx
csChFnd80/01212111362D

 27 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
2297

>  <Formula> (111)
C21H46NO4P

>  <MolWeight> (111)
407.568001

>  <Cat> (111)
S3056

>  <Name> (111)
Miltefosine (Hexadecylphosphocholine)

>  <Synonyms> (111)
N/A

>  <Target> (111)
Akt

>  <Form> (111)
Free Base

>  <CAS> (111)
58066-85-6

>  <URL> (111)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

$$$$
RGD peptide.cdx
csChFnd80/01212111362D

 24 23  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  1  0  0  0
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M  END
>  <Mol_ID> (112)
2320

>  <Formula> (112)
C12H22N6O6

>  <MolWeight> (112)
346.33968

>  <Cat> (112)
S8008

>  <Name> (112)
RGD (Arg-Gly-Asp) Peptides

>  <Synonyms> (112)
Arginine-Glycine-Aspartic Acid

>  <Target> (112)
Integrase

>  <Form> (112)
Free Base

>  <CAS> (112)
99896-85-2

>  <URL> (112)
http://www.selleckchem.com/products/rgd-arg-gly-asp-peptides.html

$$$$
AZD5363.cdx
csChFnd80/01212111362D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
2334

>  <Formula> (113)
C21H25ClN6O2

>  <MolWeight> (113)
428.9152

>  <Cat> (113)
S8019

>  <Name> (113)
AZD5363

>  <Synonyms> (113)
N/A

>  <Target> (113)
Akt

>  <Form> (113)
Free Base

>  <CAS> (113)
1143532-39-1

>  <URL> (113)
http://www.selleckchem.com/products/azd5363.html

$$$$
IWR-1(endo-IWR 1).cdx
csChFnd80/01212111362D

 33 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (114)
2349

>  <Formula> (114)
C26H21N3O3

>  <MolWeight> (114)
423.46324

>  <Cat> (114)
S7086

>  <Name> (114)
IWR-1-endo

>  <Synonyms> (114)
IWR-1

>  <Target> (114)
Wnt/beta-catenin

>  <Form> (114)
Free Base

>  <CAS> (114)
1127442-82-3

>  <URL> (114)
http://www.selleckchem.com/products/iwr-1-endo.html

$$$$
(-)-Blebbistatin.cdx
csChFnd80/01212111362D

 22 25  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (115)
2369

>  <Formula> (115)
C18H16N2O2

>  <MolWeight> (115)
292.33184

>  <Cat> (115)
S7099

>  <Name> (115)
(-)-Blebbistatin

>  <Synonyms> (115)
N/A

>  <Target> (115)
ATPase

>  <Form> (115)
Free Base

>  <CAS> (115)
856925-71-8

>  <URL> (115)
https://www.selleckchem.com/products/blebbistatin.html

$$$$
S1037.cdx
csChFnd80/01212111362D

 31 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (116)
2385

>  <Formula> (116)
C25H52NO4P

>  <MolWeight> (116)
461.658441

>  <Cat> (116)
S1037

>  <Name> (116)
Perifosine (KRX-0401)

>  <Synonyms> (116)
NSC639966

>  <Target> (116)
Akt

>  <Form> (116)
Free Base

>  <CAS> (116)
157716-52-4

>  <URL> (116)
http://www.selleckchem.com/products/Perifosine.html

$$$$
Flubendazole.cdx
csChFnd80/01212111362D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
2466

>  <Formula> (117)
C16H12FN3O3

>  <MolWeight> (117)
313.2831832

>  <Cat> (117)
S1837

>  <Name> (117)
Flubendazole (Flutelmium)

>  <Synonyms> (117)
N/A 

>  <Target> (117)
Others

>  <Form> (117)
Free Base

>  <CAS> (117)
31430-15-6

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

$$$$
Wnt-C59 (C59).cdx
csChFnd80/01212111362D

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>  <Mol_ID> (118)
2476

>  <Formula> (118)
C25H21N3O

>  <MolWeight> (118)
379.45374

>  <Cat> (118)
S7037

>  <Name> (118)
Wnt-C59 (C59)

>  <Synonyms> (118)
N/A

>  <Target> (118)
Wnt/beta-catenin

>  <Form> (118)
Free Base

>  <CAS> (118)
1243243-89-1

>  <URL> (118)
http://www.selleckchem.com/products/wnt-c59-c59.html

$$$$
LM-3632.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (119)
2498

>  <Formula> (119)
C31H45F6N9O12

>  <MolWeight> (119)
849.7325192

>  <Cat> (119)
S7844

>  <Name> (119)
Cyclo(RGDyK)

>  <Synonyms> (119)
N/A

>  <Target> (119)
Integrin

>  <Form> (119)
ditrifluoroacetic acid

>  <CAS> (119)
250612-42-1

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

$$$$
Dyngo-4a.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (120)
2504

>  <Formula> (120)
C18H14N2O5

>  <MolWeight> (120)
338.31416

>  <Cat> (120)
S7163

>  <Name> (120)
Dyngo-4a

>  <Synonyms> (120)
N/A

>  <Target> (120)
Dynamin

>  <Form> (120)
Free Base

>  <CAS> (120)
1256493-34-1

>  <URL> (120)
http://www.selleckchem.com/products/dyngo-4a.html

$$$$
Isoxazole 9 (ISX-9).cdx
csChFnd80/01212111362D

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    7.5527    2.0640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5812    4.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9526    2.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1568    1.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1732    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361    2.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    0.4170    0.0000 S   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  1  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
  6 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  6  1  0  0  0  0
M  END
>  <Mol_ID> (121)
2531

>  <Formula> (121)
C11H10N2O2S

>  <MolWeight> (121)
234.2743

>  <Cat> (121)
S7914

>  <Name> (121)
Isoxazole 9 (ISX-9)

>  <Synonyms> (121)
N/A

>  <Target> (121)
Others

>  <Form> (121)
Free Base

>  <CAS> (121)
832115-62-5

>  <URL> (121)
http://www.selleckchem.com/products/isoxazole-9-isx-9.html

$$$$
MMAE.cdx
csChFnd80/01212111362D

 52 53  0  0  0  0  0  0  0  0999 V2000
   12.0193    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   19.2939    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5063    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    6.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    7.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  1  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  1  0  0  0
 29 36  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 40 38  1  1  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 44  1  0  0  0  0
 42 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 46 48  1  0  0  0  0
 46 49  1  6  0  0  0
 49 50  1  0  0  0  0
 48 51  1  0  0  0  0
 48 52  1  0  0  0  0
M  END
>  <Mol_ID> (122)
2533

>  <Formula> (122)
C39H67N5O7

>  <MolWeight> (122)
717.97858

>  <Cat> (122)
S7721

>  <Name> (122)
Monomethyl auristatin E (MMAE)

>  <Synonyms> (122)
N/A

>  <Target> (122)
Microtubule Associated

>  <Form> (122)
Free Base

>  <CAS> (122)
474645-27-7

>  <URL> (122)
http://www.selleckchem.com/products/monomethyl-auristatin-e-mmae.html

$$$$
ONC201.cdx
csChFnd80/01212111362D

 29 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.5157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1705    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
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  9  2  1  0  0  0  0
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 17  9  1  0  0  0  0
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 29  4  2  0  0  0  0
M  END
>  <Mol_ID> (123)
2550

>  <Formula> (123)
C24H26N4O

>  <MolWeight> (123)
386.48944

>  <Cat> (123)
S7963

>  <Name> (123)
TIC10

>  <Synonyms> (123)
N/A

>  <Target> (123)
Akt

>  <Form> (123)
Free Base

>  <CAS> (123)
1616632-77-9

>  <URL> (123)
http://www.selleck.cn/products/tic-10.html

$$$$
Akti-1.cdx
csChFnd80/01212111362D

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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 30 33  1  0  0  0  0
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 34 35  2  0  0  0  0
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 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
 34 38  1  0  0  0  0
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 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
 37 42  2  0  0  0  0
M  END
>  <Mol_ID> (124)
2551

>  <Formula> (124)
C34H29N7O

>  <MolWeight> (124)
551.64036

>  <Cat> (124)
S7776

>  <Name> (124)
Akti-1/2

>  <Synonyms> (124)
N/A

>  <Target> (124)
Akt

>  <Form> (124)
Free Base

>  <CAS> (124)
612847-09-3

>  <URL> (124)
http://www.selleck.cn/products/akti-1-2.html

$$$$
TIC10.cdx
csChFnd80/01212111362D

 29 33  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
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 13  8  1  0  0  0  0
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 15 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
 14 21  1  0  0  0  0
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 22 23  2  0  0  0  0
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 27 22  1  0  0  0  0
 23 28  1  0  0  0  0
 17 29  2  0  0  0  0
M  END
>  <Mol_ID> (125)
2623

>  <Formula> (125)
C24H26N4O

>  <MolWeight> (125)
386.48944

>  <Cat> (125)
S7127

>  <Name> (125)
TIC10 analogue

>  <Synonyms> (125)
TRAIL-inducing Compound 10

>  <Target> (125)
Akt

>  <Form> (125)
Free Base

>  <CAS> (125)
41276-02-2

>  <URL> (125)
http://www.selleckchem.com/products/tic10.html

$$$$

csChFnd80/01212111362D

 29 28  0  0  0  0  0  0  0  0999 V2000
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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  2  0  0  0  0
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M  END
>  <Mol_ID> (126)
2626

>  <Formula> (126)
C18H19Na2O8P

>  <MolWeight> (126)
440.291961

>  <Cat> (126)
S7204

>  <Name> (126)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Synonyms> (126)
N/A

>  <Target> (126)
Microtubule Associated

>  <Form> (126)
Disodium salt

>  <CAS> (126)
168555-66-6

>  <URL> (126)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

$$$$
dynasore .cdx
csChFnd80/01212111362D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (127)
2635

>  <Formula> (127)
C18H14N2O4

>  <MolWeight> (127)
322.31476

>  <Cat> (127)
S8047

>  <Name> (127)
Dynasore

>  <Synonyms> (127)
N/A

>  <Target> (127)
Dynamin

>  <Form> (127)
Free Base

>  <CAS> (127)
304448-55-3

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

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (128)
2640

>  <Formula> (128)
C26H27N5O5S2

>  <MolWeight> (128)
553.65308

>  <Cat> (128)
S7207

>  <Name> (128)
Ro 31-8220 Mesylate

>  <Synonyms> (128)
Bisindolylmaleimide IX Mesylate

>  <Target> (128)
PKC

>  <Form> (128)
Mesylate

>  <CAS> (128)
138489-18-6

>  <URL> (128)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
Carbenoxolone disodiuM.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (129)
2669

>  <Formula> (129)
C34H48Na2O7

>  <MolWeight> (129)
614.72026

>  <Cat> (129)
S4368

>  <Name> (129)
Carbenoxolone disodiuM

>  <Synonyms> (129)
N/A

>  <Target> (129)
Others

>  <Form> (129)
disodiuM

>  <CAS> (129)
7421-40-1

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

$$$$
Mdivi-1.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (130)
2724

>  <Formula> (130)
C15H10Cl2N2O2S

>  <MolWeight> (130)
353.2231

>  <Cat> (130)
S7162

>  <Name> (130)
Mdivi-1

>  <Synonyms> (130)
N/A

>  <Target> (130)
Dynamin

>  <Form> (130)
Free Base

>  <CAS> (130)
338967-87-6

>  <URL> (130)
http://www.selleckchem.com/products/mdivi-1.html

$$$$
PF-562271.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (131)
2732

>  <Formula> (131)
C21H21ClF3N7O3S

>  <MolWeight> (131)
543.9497496

>  <Cat> (131)
S7357

>  <Name> (131)
PF-562271 HCl

>  <Synonyms> (131)
N/A

>  <Target> (131)
FAK

>  <Form> (131)
Hydrochloride

>  <URL> (131)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
LGK-974.cdx
csChFnd80/01212111362D

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Wnt/beta-catenin

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Free Base

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1243244-14-5

>  <URL> (132)
http://www.selleckchem.com/products/lgk-974.html

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Wnt/beta-catenin

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Free Base

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1427782-89-5

>  <URL> (133)
http://www.selleckchem.com/products/iwp-l6.html

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N/A

>  <Target> (134)
Microtubule Associated

>  <Form> (134)
Free Base

>  <URL> (134)
http://www.selleckchem.com/products/cw069.html

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442632-72-6

>  <URL> (135)
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C19H17ClN2O5

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N/A

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HSP (e.g. HSP90)

>  <Form> (145)
Free Base

>  <CAS> (145)
747413-08-7

>  <URL> (145)
http://www.selleckchem.com/products/ver-50589.html

$$$$
INH1.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (146)
2828

>  <Formula> (146)
C18H16N2OS

>  <MolWeight> (146)
308.39744

>  <Cat> (146)
S7493

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INH1

>  <Synonyms> (146)
N/A

>  <Target> (146)
Microtubule Associated

>  <Form> (146)
Free Base

>  <CAS> (146)
313553-47-8

>  <URL> (146)
http://www.selleckchem.com/products/inh1.html

$$$$
IWP-2.cdx
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>  <Mol_ID> (147)
2837

>  <Formula> (147)
C22H18N4O2S3

>  <MolWeight> (147)
466.59892

>  <Cat> (147)
S7085

>  <Name> (147)
IWP-2

>  <Synonyms> (147)
N/A

>  <Target> (147)
Wnt/beta-catenin

>  <Form> (147)
Free Base

>  <CAS> (147)
686770-61-6

>  <URL> (147)
http://www.selleckchem.com/products/iwp-2.html

$$$$
INH6.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (148)
2838

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C19H18N2OS

>  <MolWeight> (148)
322.42402

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INH6

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N/A

>  <Target> (148)
Microtubule Associated

>  <Form> (148)
Free Base

>  <CAS> (148)
1001753-24-7

>  <URL> (148)
http://www.selleckchem.com/products/inh6.html

$$$$
PF-3758309.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (149)
2845

>  <Formula> (149)
C25H30N8OS

>  <MolWeight> (149)
490.6237

>  <Cat> (149)
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>  <Name> (149)
PF-3758309

>  <Synonyms> (149)
PF-03758309

>  <Target> (149)
PAK

>  <Form> (149)
Free Base

>  <CAS> (149)
898044-15-0

>  <URL> (149)
http://www.selleckchem.com/products/pf-3758309.html

$$$$
FH535.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (150)
2847

>  <Formula> (150)
C13H10Cl2N2O4S

>  <MolWeight> (150)
361.2005

>  <Cat> (150)
S7484

>  <Name> (150)
FH535

>  <Synonyms> (150)
N/A

>  <Target> (150)
Wnt/beta-catenin

>  <Form> (150)
Free Base

>  <CAS> (150)
108409-83-2

>  <URL> (150)
http://www.selleckchem.com/products/fh535.html

$$$$
PD173955 .cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (151)
2859

>  <Formula> (151)
C21H18Cl2N4OS

>  <MolWeight> (151)
445.36482

>  <Cat> (151)
S7269

>  <Name> (151)
PD173955

>  <Synonyms> (151)
N/A 

>  <Target> (151)
Bcr-Abl

>  <Form> (151)
Free Base

>  <CAS> (151)
260415-63-2

>  <URL> (151)
http://www.selleckchem.com/products/pd173955.html

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/01212111362D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
2877

>  <Formula> (152)
C20H18FN5O2

>  <MolWeight> (152)
379.3876232

>  <Cat> (152)
S7097

>  <Name> (152)
HSP990 (NVP-HSP990)

>  <Synonyms> (152)
N/A

>  <Target> (152)
HSP (e.g. HSP90)

>  <Form> (152)
Free Base

>  <CAS> (152)
934343-74-5

>  <URL> (152)
http://www.selleckchem.com/products/hsp990-nvp-hsp990.html

$$$$
ARQ 621.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (153)
2885

>  <Formula> (153)
C28H24Cl2FN5O2

>  <MolWeight> (153)
552.4268632

>  <Cat> (153)
S7355

>  <Name> (153)
ARQ 621

>  <Synonyms> (153)
N/A

>  <Target> (153)
Kinesin

>  <Form> (153)
Free Base

>  <CAS> (153)
1095253-39-6

>  <URL> (153)
http://www.selleckchem.com/products/arq-621.html

$$$$
URMC-099.cdx
csChFnd80/01212111362D

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1061353-68-1

>  <URL> (158)
http://www.selleckchem.com/products/pnd-1186-vs-4718.html

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1073154-85-4

>  <URL> (159)
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$$$$
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1334921-03-7

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Trihydrate

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148408-66-6

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http://www.selleckchem.com/products/docetaxel-trihydrate.html

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Monohydrate

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863127-77-9

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$$$$
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N/A

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Microtubule Associated

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Free Base

>  <CAS> (165)
117048-59-6

>  <URL> (165)
http://www.selleckchem.com/products/combretastatin-a4.html

$$$$
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3027

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C18H17Cl2FN4OS

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S7521

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Afuresertib (GSK2110183)

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N/A

>  <Target> (166)
Akt

>  <Form> (166)
Free Base

>  <CAS> (166)
1047644-62-1

>  <URL> (166)
http://www.selleckchem.com/products/afuresertib-gsk2110183.html

$$$$
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csChFnd80/01212111362D

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KNK437

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N/A

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HSP (e.g. HSP90)

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Free Base

>  <CAS> (167)
218924-25-5

>  <URL> (167)
http://www.selleckchem.com/products/knk437.html

$$$$
cyclo(RGDfK).cdx
csChFnd80/01212111362D

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N/A

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Integrin

>  <Form> (168)
Free Base

>  <CAS> (168)
161552-03-0

>  <URL> (168)
http://www.selleckchem.com/products/cyclo-rgdfk.html

$$$$
Cilengitide (EMD 121974).cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (169)
3063

>  <Formula> (169)
C29H41F3N8O9

>  <MolWeight> (169)
702.6792496

>  <Cat> (169)
S7077

>  <Name> (169)
Cilengitide trifluoroacetate

>  <Synonyms> (169)
EMD 121974, NSC 707544

>  <Target> (169)
Integrin

>  <Form> (169)
Trifluoroacetat

>  <CAS> (169)
188968-51-6

>  <URL> (169)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

$$$$
Radotinib (IY-5511).cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (170)
3109

>  <Formula> (170)
C27H21F3N8O

>  <MolWeight> (170)
530.5038496

>  <Cat> (170)
S8134

>  <Name> (170)
Radotinib

>  <Synonyms> (170)
IY-5511

>  <Target> (170)
Bcr-Abl

>  <Form> (170)
Free Base

>  <CAS> (170)
926037-48-1

>  <URL> (170)
http://www.selleckchem.com/products/radotinib.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (171)
3110

>  <Formula> (171)
C15H23ClFN3O4S

>  <MolWeight> (171)
395.8772232

>  <Cat> (171)
S7995

>  <Name> (171)
Ripasudil (K-115)

>  <Synonyms> (171)
N/A

>  <Target> (171)
ROCK

>  <Form> (171)
Hydrochloride dihydrate

>  <CAS> (171)
887375-67-9

>  <URL> (171)
http://www.selleckchem.com/products/ripasudil-k-115.html

$$$$
GNF-7.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (172)
3115

>  <Formula> (172)
C28H24F3N7O2

>  <MolWeight> (172)
547.5310696

>  <Cat> (172)
S8140

>  <Name> (172)
GNF-7

>  <Synonyms> (172)
N/A

>  <Target> (172)
Bcr-Abl

>  <Form> (172)
Free Base

>  <CAS> (172)
839706-07-9

>  <URL> (172)
http://www.selleckchem.com/products/gnf-7.html

$$$$
Cucurbitacin B.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (173)
3117

>  <Formula> (173)
C32H46O8

>  <MolWeight> (173)
558.70284

>  <Cat> (173)
S8165

>  <Name> (173)
Cucurbitacin B

>  <Synonyms> (173)
N/A

>  <Target> (173)
Microtubule Associated

>  <Form> (173)
Free Base

>  <CAS> (173)
6199-67-3

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

$$$$
KD025 (SLx-2119).cdx
csChFnd80/01212111362D

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>  <Mol_ID> (174)
3121

>  <Formula> (174)
C26H24N6O2

>  <MolWeight> (174)
452.50776

>  <Cat> (174)
S7936

>  <Name> (174)
KD025 (SLx-2119)

>  <Synonyms> (174)
N/A

>  <Target> (174)
ROCK

>  <Form> (174)
Free Base

>  <CAS> (174)
911417-87-3

>  <URL> (174)
http://www.selleckchem.com/products/kd025-(slx-2119).html

$$$$
GSK2141795.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (175)
3138

>  <Formula> (175)
C18H16Cl2F2N4O2

>  <MolWeight> (175)
429.2480464

>  <Cat> (175)
S7492

>  <Name> (175)
Uprosertib (GSK2141795)

>  <Synonyms> (175)
GSK795

>  <Target> (175)
Akt

>  <Form> (175)
Free Base

>  <CAS> (175)
1047634-65-0

>  <URL> (175)
http://www.selleckchem.com/products/gsk2141795.html

$$$$
Wnt agonist 1 HCl.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (176)
3139

>  <Formula> (176)
C19H19ClN4O3

>  <MolWeight> (176)
386.83216

>  <Cat> (176)
S8178

>  <Name> (176)
Wnt agonist 1

>  <Synonyms> (176)
N/A

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

>  <Form> (176)
Hydrochloride

>  <CAS> (176)
853220-52-7(free-base)

>  <URL> (176)
http://www.selleckchem.com/products/wnt-agonist-1.html

$$$$
IQ-1.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (177)
3224

>  <Formula> (177)
C21H22N4O2

>  <MolWeight> (177)
362.42498

>  <Cat> (177)
S8248

>  <Name> (177)
IQ-1

>  <Synonyms> (177)
N/A

>  <Target> (177)
Wnt/beta-catenin

>  <Form> (177)
Free Base

>  <CAS> (177)
331001-62-8

>  <URL> (177)
http://www.selleckchem.com/products/iq-1.html

$$$$
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>  <Mol_ID> (178)
3232

>  <Formula> (178)
C18H27N3O6S3

>  <MolWeight> (178)
477.61848

>  <Cat> (178)
S7762

>  <Name> (178)
TRx0237 (LMTX) mesylate

>  <Synonyms> (178)
N/A

>  <Target> (178)
Microtubule Associated

>  <Form> (178)
Dimesylate

>  <CAS> (178)
1236208-20-0

>  <URL> (178)
http://www.selleckchem.com/products/trx0237-lmtx.html

$$$$
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>  <Mol_ID> (179)
3249

>  <Formula> (179)
C23H22N4O3S2

>  <MolWeight> (179)
466.57578

>  <Cat> (179)
S8299

>  <Name> (179)
HA15

>  <Synonyms> (179)
N/A

>  <Target> (179)
Others

>  <Form> (179)
Free Base

>  <CAS> (179)
1609402-14-3

>  <URL> (179)
http://www.selleckchem.com/products/ha15.html

$$$$
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M  END
>  <Mol_ID> (180)
3256

>  <Formula> (180)
C28H29ClN4O3

>  <MolWeight> (180)
505.00786

>  <Cat> (180)
S7663

>  <Name> (180)
LY333531 HCl

>  <Synonyms> (180)
Ruboxistaurin

>  <Target> (180)
PKC

>  <Form> (180)
hydrochloride

>  <CAS> (180)
169939-93-9

>  <URL> (180)
http://www.selleckchem.com/products/ly333531.html

$$$$
FRAX486.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (181)
3257

>  <Formula> (181)
C25H23Cl2FN6O

>  <MolWeight> (181)
513.3941232

>  <Cat> (181)
S7807

>  <Name> (181)
FRAX486

>  <Synonyms> (181)
N/A

>  <Target> (181)
PAK

>  <Form> (181)
Free Base

>  <CAS> (181)
1232030-35-1

>  <URL> (181)
http://www.selleckchem.com/products/frax486.html

$$$$
KYA1797K.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (182)
3271

>  <Formula> (182)
C17H11KN2O6S2

>  <MolWeight> (182)
442.50734

>  <Cat> (182)
S8327

>  <Name> (182)
KYA1797K

>  <Synonyms> (182)
N/A

>  <Target> (182)
Wnt/beta-catenin

>  <Form> (182)
potassium salt

>  <CAS> (182)
1956356-56-1

>  <URL> (182)
http://www.selleckchem.com/products/kya1797k.html

$$$$
Deguelin.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (183)
3286

>  <Formula> (183)
C23H22O6

>  <MolWeight> (183)
394.41718

>  <Cat> (183)
S8132

>  <Name> (183)
Deguelin

>  <Synonyms> (183)
(-)-Deguelin, (-)-cis-Deguelin

>  <Target> (183)
Akt

>  <Form> (183)
Free Base

>  <CAS> (183)
522-17-8

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

$$$$
Leukadherin-1.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (184)
3295

>  <Formula> (184)
C22H15NO4S2

>  <MolWeight> (184)
421.4888

>  <Cat> (184)
S8306

>  <Name> (184)
Leukadherin-1

>  <Synonyms> (184)
N/A

>  <Target> (184)
Integrin

>  <Form> (184)
Free Base

>  <CAS> (184)
344897-95-6

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

$$$$
SKL2001.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (185)
3301

>  <Formula> (185)
C14H14N4O3

>  <MolWeight> (185)
286.28596

>  <Cat> (185)
S8320

>  <Name> (185)
SKL2001

>  <Synonyms> (185)
N/A

>  <Target> (185)
Wnt/beta-catenin

>  <Form> (185)
Free Base

>  <CAS> (185)
909089-13-0

>  <URL> (185)
http://www.selleckchem.com/products/skl2001.html

$$$$
ML-7.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (186)
3327

>  <Formula> (186)
C15H18ClIN2O2S

>  <MolWeight> (186)
452.73809

>  <Cat> (186)
S8388

>  <Name> (186)
ML-7 HCl

>  <Synonyms> (186)
N/A

>  <Target> (186)
Others

>  <Form> (186)
hydrochloride

>  <CAS> (186)
110448-33-4

>  <URL> (186)
http://www.selleckchem.com/products/ml-7.html

$$$$
Apoptozole.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (187)
3336

>  <Formula> (187)
C33H25F6N3O3

>  <MolWeight> (187)
625.5603192

>  <Cat> (187)
S8365

>  <Name> (187)
Apoptozole

>  <Synonyms> (187)
Apoptosis Activator VII

>  <Target> (187)
HSP

>  <Form> (187)
Free Base

>  <CAS> (187)
1054543-47-3

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

$$$$
Y-39983 HCl.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (188)
3338

>  <Formula> (188)
C16H18Cl2N4O

>  <MolWeight> (188)
353.24632

>  <Cat> (188)
S7935

>  <Name> (188)
Y-39983 HCl

>  <Synonyms> (188)
Y-33075 HCl

>  <Target> (188)
ROCK

>  <Form> (188)
dihydrochloride

>  <CAS> (188)
173897-44-4

>  <URL> (188)
http://www.selleckchem.com/products/y-39983-hcl.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (189)
3342

>  <Formula> (189)
C21H20N2O3S

>  <MolWeight> (189)
380.4601

>  <Cat> (189)
S8448

>  <Name> (189)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (189)
N/A

>  <Target> (189)
ROCK

>  <Form> (189)
Free Base

>  <CAS> (189)
557782-81-7

>  <URL> (189)
http://www.selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
Monastrol.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (190)
3351

>  <Formula> (190)
C14H16N2O3S

>  <MolWeight> (190)
292.35344

>  <Cat> (190)
S8439

>  <Name> (190)
Monastrol

>  <Synonyms> (190)
N/A

>  <Target> (190)
Kinesin

>  <Form> (190)
Free Base

>  <CAS> (190)
329689-23-8

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

$$$$
ARQ 092.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (191)
3361

>  <Formula> (191)
C27H25ClN6

>  <MolWeight> (191)
468.9806

>  <Cat> (191)
S8339

>  <Name> (191)
Miransertib (ARQ 092)HCl

>  <Synonyms> (191)
Miransertib

>  <Target> (191)
Akt

>  <Form> (191)
hydrochloride

>  <CAS> (191)
1313883-00-9

>  <URL> (191)
http://www.selleckchem.com/products/arq-092.html

$$$$
KRIBB11.cdx
csChFnd80/01212111362D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (192)
3364

>  <Formula> (192)
C13H12N6O2

>  <MolWeight> (192)
284.27338

>  <Cat> (192)
S8402

>  <Name> (192)
KRIBB11

>  <Synonyms> (192)
N/A

>  <Target> (192)
HSP (e.g. HSP90)

>  <Form> (192)
Free Base

>  <CAS> (192)
342639-96-7

>  <URL> (192)
http://www.selleckchem.com/products/kribb11.html

$$$$
PNU-74654.cdx
csChFnd80/01212111362D

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GSK2256098

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GTPL7939

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FAK

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Free Base

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1224887-10-8

>  <URL> (198)
http://www.selleckchem.com/products/gsk2256098.html

$$$$
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csChFnd80/01212111362D

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C22H39ClN2O6S

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Tirofiban Hydrochloride

>  <Synonyms> (199)
MK-383 Hydrochloride

>  <Target> (199)
GPIIb/IIIa

>  <Form> (199)
hydrochloride hydrate

>  <CAS> (199)
150915-40-5

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

$$$$
LM-5005.cdx
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free base

>  <CAS> (200)
867164-40-7

>  <URL> (200)
http://www.selleckchem.com/products/trc051384.html

$$$$
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C23H35N9O8S

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N/A

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integrin ¦Á5¦Â1,¦Áv¦Â3

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free base

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262438-43-7

>  <URL> (201)
http://www.selleckchem.com/products/atn-161.html

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3508

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C24H25FN6O2

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GNF-6231

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N/A

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Porcupine

>  <Form> (202)
free base

>  <CAS> (202)
1243245-18-2

>  <URL> (202)
http://www.selleckchem.com/products/gnf-6231.html

$$$$
iCRT3.cdx
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>  <Mol_ID> (203)
3524

>  <Formula> (203)
C23H26N2O2S

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S8647

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iCRT3

>  <Synonyms> (203)
N/A

>  <Target> (203)
Wnt/¦Â-catenin

>  <Form> (203)
free base

>  <CAS> (203)
901751-47-1

>  <URL> (203)
http://www.selleckchem.com/products/icrt3.html

$$$$
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>  <Mol_ID> (204)
3542

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C38H44N2O6

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>  <Cat> (204)
S5144

>  <Name> (204)
Neferine

>  <Synonyms> (204)
(R)-1,2-Dimethoxyaporphine

>  <Target> (204)
Others

>  <Form> (204)
free base

>  <CAS> (204)
2292-16-2

>  <URL> (204)
http://www.selleckchem.com/products/neferine.html

$$$$
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>  <Mol_ID> (205)
3640

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C26H20N6O

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432.4766

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IWP-O1

>  <Synonyms> (205)
N/A

>  <Target> (205)
Wnt/beta-catenin

>  <Form> (205)
free base

>  <CAS> (205)
2074607-48-8

>  <URL> (205)
http://selleckchem.com/products/iwp-O1.html

$$$$
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csChFnd80/01212111362D

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>  <Mol_ID> (206)
3677

>  <Formula> (206)
C35H29F3N4O3

>  <MolWeight> (206)
610.6249696

>  <Cat> (206)
S8444

>  <Name> (206)
KPT-9274

>  <Synonyms> (206)
N/A

>  <Target> (206)
NAMPT,PAK

>  <Form> (206)
free base

>  <CAS> (206)
1643913-93-2

>  <URL> (206)
http://selleckchem.com/products/kpt-9274.html

$$$$
Asciminib(ABL001).cdx
csChFnd80/01212111362D

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3683

>  <Formula> (207)
C20H18ClF2N5O3

>  <MolWeight> (207)
449.8384264

>  <Cat> (207)
S8555

>  <Name> (207)
Asciminib (ABL001)

>  <Synonyms> (207)
N/A

>  <Target> (207)
Bcr-Abl

>  <Form> (207)
free base

>  <CAS> (207)
1492952-76-7

>  <URL> (207)
http://selleckchem.com/products/asciminib-abl001.html

$$$$
S5321 Y15.cdx
csChFnd80/01212111362D

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>  <Mol_ID> (208)
3749

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C6H14Cl4N4

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284.01416

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S5321

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Y15

>  <Synonyms> (208)
1,2,4,5-Benzenetetraamine tetrahydrochloride

>  <Target> (208)
FAK

>  <Form> (208)
tetrahydrochloride 

>  <CAS> (208)
4506-66-5

>  <URL> (208)
http://selleckchem.com/products/y15.html

$$$$
S5313 SC66.cdx
csChFnd80/01212111362D

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>  <Synonyms> (209)
N/A

>  <Target> (209)
Akt

>  <Form> (209)
free base

>  <CAS> (209)
871361-88-5

>  <URL> (209)
http://selleckchem.com/products/sc66.html

$$$$
S5256 Benproperine phosphate.cdx
csChFnd80/01212111362D

 28 29  0  0  0  0  0  0  0  0999 V2000
    2.4512    0.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4521    2.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6637    0.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    2.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    2.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8786    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    4.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0742    0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    4.9179    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2608    0.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0716    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    6.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0923    4.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608    2.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1009    6.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (210)
3863

>  <Formula> (210)
C21H30NO5P

>  <MolWeight> (210)
407.440361

>  <Cat> (210)
S5256

>  <Name> (210)
Benproperine phosphate

>  <Synonyms> (210)
Blascorid, Pirexyl phosphate

>  <Target> (210)
Others

>  <Form> (210)
phosphate 

>  <CAS> (210)
19428-14-9

>  <URL> (210)
http://selleckchem.com/products/benproperine-phosphate.html

$$$$
S5422 Trimethyloctadecylammonium bromide.cdx
csChFnd80/01212111362D

 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> (211)
3895

>  <Formula> (211)
C21H46BrN

>  <MolWeight> (211)
392.50064

>  <Cat> (211)
S5422

>  <Name> (211)
Trimethyloctadecylammonium bromide

>  <Synonyms> (211)
Octadecyltrimethylammonium bromide

>  <Target> (211)
Dynamin

>  <Form> (211)
bromide 

>  <CAS> (211)
1120-02-1

>  <URL> (211)
http://selleckchem.com/products/trimethyloctadecylammonium-bromide.html

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/01212111362D

 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> (212)
3951

>  <Formula> (212)
C22H21NO2S

>  <MolWeight> (212)
363.47264

>  <Cat> (212)
S5522

>  <Name> (212)
H-Cys(Trt)-OH

>  <Synonyms> (212)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (212)
Kinesin

>  <Form> (212)
free base

>  <CAS> (212)
328542

>  <URL> (212)
http://selleckchem.com/products/h-cys-trt-oh.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/01212111362D

 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
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   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
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    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
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    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
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M  END
>  <Mol_ID> (213)
3969

>  <Formula> (213)
C49H76O20

>  <MolWeight> (213)
985.11574

>  <Cat> (213)
S5554

>  <Name> (213)
Lanatoside C

>  <Synonyms> (213)
N/A

>  <Target> (213)
ATPase

>  <Form> (213)
free base

>  <CAS> (213)
17575-22-3

>  <URL> (213)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/01212111362D

 40 43  0  0  0  0  0  0  0  0999 V2000
   12.1246    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (214)
4024

>  <Formula> (214)
C28H23ClF3N7O

>  <MolWeight> (214)
565.9767296

>  <Cat> (214)
S5205

>  <Name> (214)
Nilotinib hydrochloride

>  <Synonyms> (214)
AMN-107 HCl

>  <Target> (214)
Bcr-Abl

>  <Form> (214)
hydrochloride 

>  <CAS> (214)
923288-95-3

>  <URL> (214)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/01212111362D

 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
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (215)
4040

>  <Formula> (215)
C14H19NO

>  <MolWeight> (215)
217.30676

>  <Cat> (215)
S5369

>  <Name> (215)
Ethoxyquin

>  <Form> (215)
free base

>  <CAS> (215)
91-53-2

$$$$
S9416 Triptonide.cdx
csChFnd80/01212111362D

 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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 20 19  1  0  0  0  0
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  5  6  1  0  0  0  0
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 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
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 16 25  1  0  0  0  0
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 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> (216)
4149

>  <Formula> (216)
C20H22O6

>  <MolWeight> (216)
358.38508

>  <Cat> (216)
S9416

>  <Name> (216)
Triptonide

>  <Form> (216)
free base

>  <CAS> (216)
38647-11-9

$$$$

csChFnd80/01212111362D

 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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 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> (217)
4224

>  <Formula> (217)
C18H22ClN5S

>  <MolWeight> (217)
375.91878

>  <Cat> (217)
S5919

>  <Name> (217)
KHS101 hydrochloride

>  <Synonyms> (217)
N/A

>  <Target> (217)
Microtubule Associat

>  <Form> (217)
hydrochloride

>  <CAS> (217)
1784282-12-7

>  <URL> (217)
http://www.selleckchem.com/products/khs101-hydrochloride.html

$$$$

csChFnd80/01212111362D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6673    6.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2574    5.8271    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  1  0  0  0  0
  6  7  2  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
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  8 17  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (218)
4235

>  <Formula> (218)
C13H15N3O2S

>  <MolWeight> (218)
277.3421

>  <Cat> (218)
S5933

>  <Name> (218)
K 858

>  <Synonyms> (218)
N/A

>  <Target> (218)
Kinesin

>  <Form> (218)
Free Base

>  <CAS> (218)
72926-24-0

>  <URL> (218)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/01212111362D

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1249    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2752    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4927    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0553    0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9176    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    0.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3425    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1922    0.7032    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
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
 14 15  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 11 14  1  0  0  0  0
  7  8  1  0  0  0  0
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  2 22  1  0  0  0  0
M  END
>  <Mol_ID> (219)
4237

>  <Formula> (219)
C19H33NO2

>  <MolWeight> (219)
307.47082

>  <Cat> (219)
S5950

>  <Name> (219)
Fingolimod

>  <Form> (219)
Free Base

>  <CAS> (219)
162359-55-9

$$$$

csChFnd80/01212111362D

 38 43  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
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 16 13  1  0  0  0  0
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 21 17  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 21  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 32 33  1  0  0  0  0
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 35 37  1  0  0  0  0
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M  END
>  <Mol_ID> (220)
4272

>  <Formula> (220)
C29H24FN7O

>  <MolWeight> (220)
505.5455632

>  <Cat> (220)
S8761

>  <Name> (220)
Adavivint (SM04690)

>  <Synonyms> (220)
N/A

>  <Target> (220)
Wnt/beta-catenin

>  <Form> (220)
Free Base

>  <CAS> (220)
1467093-03-3

>  <URL> (220)
http://www.selleckchem.com/products/adavivint.html

$$$$

csChFnd80/01212111362D

 25 28  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
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  1  7  1  6  0  0  0
  1  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13  1  1  0  0  0  0
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 14  6  1  0  0  0  0
 12 15  1  1  0  0  0
 14 15  1  1  0  0  0
  4 16  1  0  0  0  0
 10 17  1  1  0  0  0
  2 18  1  1  0  0  0
  3 19  1  1  0  0  0
 13 20  1  6  0  0  0
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 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (221)
4345

>  <Formula> (221)
C20H28O5

>  <MolWeight> (221)
348.43332

>  <Cat> (221)
S9101

>  <Name> (221)
Ingenol

>  <Form> (221)
free base

>  <CAS> (221)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (222)
4378

>  <Formula> (222)
C37H40N2O6

>  <MolWeight> (222)
608.7233

>  <Cat> (222)
S9141

>  <Name> (222)
Berbamine

>  <Form> (222)
free base

>  <CAS> (222)
478-61-5

$$$$
S9190 Oroxin B.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (223)
4416

>  <Formula> (223)
C27H30O15

>  <MolWeight> (223)
594.5181

>  <Cat> (223)
S9190

>  <Name> (223)
Oroxin B

>  <Form> (223)
free base

>  <CAS> (223)
114482-86-9

$$$$
S9234 Schaftoside.cdx
csChFnd80/01212111362D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (224)
4446

>  <Formula> (224)
C26H28O14

>  <MolWeight> (224)
564.49212

>  <Cat> (224)
S9234

>  <Name> (224)
Schaftoside

>  <CAS> (224)
51938-32-0

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/01212111362D

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M  END
>  <Mol_ID> (225)
4508

>  <Formula> (225)
C21H22O7

>  <MolWeight> (225)
386.39518

>  <Cat> (225)
S9315

>  <Name> (225)
Praeruptorin A

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free base

>  <CAS> (225)
73069-25-7

$$$$
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>  <Synonyms> (226)
BMS 354825 hydrochloride

>  <Target> (226)
Abl/Src

>  <Form> (226)
hydrochloride 

>  <CAS> (226)
854001-07-3

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

$$$$

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WAY-316606

>  <Synonyms> (227)
N/A

>  <Target> (227)
Wnt/beta-catenin

>  <Form> (227)
Free Base

>  <CAS> (227)
915759-45-4

>  <URL> (227)
http://www.selleckchem.com/products/way-316606.html

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N/A

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Microtubule Associat

>  <Form> (228)
Free Base

>  <CAS> (228)
1370046-40-4

>  <URL> (228)
http://www.selleckchem.com/products/sse15206.html

$$$$

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Rotundic acid

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20137-37-5

>  <URL> (229)
http://www.selleckchem.com/products/rotundic-acid.html

$$$$

csChFnd80/01212111362D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (230)
5244

>  <Formula> (230)
C21H19ClNO4+

>  <MolWeight> (230)
384.83286

>  <Cat> (230)
S1292

>  <Name> (230)
Chelerythrine Chloride

>  <Synonyms> (230)
N/A

>  <Target> (230)
PKC

>  <Form> (230)
Chloride

>  <CAS> (230)
3895-92-9

>  <URL> (230)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/01212111362D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 20  5  1  0  0  0  0
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 10  7  2  0  0  0  0
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M  END
>  <Mol_ID> (231)
5324

>  <Formula> (231)
C23H19NO3

>  <MolWeight> (231)
357.40186

>  <Cat> (231)
S6424

>  <Name> (231)
TAS-301

>  <Synonyms> (231)
N/A

>  <Target> (231)
Others

>  <Form> (231)
Free Base

>  <CAS> (231)
193620-69-8

>  <URL> (231)
http://www.selleck.cn/products/tas-301.html

$$$$

csChFnd80/01212111362D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
6694

>  <Formula> (232)
C28H28F3N5O4

>  <MolWeight> (232)
555.5482296

>  <Cat> (232)
S6545

>  <Name> (232)
BI-4464

>  <Synonyms> (232)
N/A

>  <Target> (232)
FAK

>  <Form> (232)
free base

>  <CAS> (232)
1227948-02-8

>  <URL> (232)
http://www.selleck.cn/products/bi-4464.html

$$$$

csChFnd80/01212111362D

 32 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (233)
6710

>  <Formula> (233)
C20H25F3N6O3

>  <MolWeight> (233)
454.4461096

>  <Cat> (233)
S6577

>  <Name> (233)
PKC-theta inhibitor

>  <Synonyms> (233)
N/A

>  <Target> (233)
PKC

>  <Form> (233)
free base

>  <CAS> (233)
736048-65-0

>  <URL> (233)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/01212111362D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 11  7  1  0  0  0  0
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 11 13  2  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
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6728

>  <Formula> (234)
C21H17N3O2S

>  <MolWeight> (234)
375.44358

>  <Cat> (234)
S8704

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iCRT14

>  <Synonyms> (234)
N/A

>  <Target> (234)
Wnt/beta-catenin

>  <Form> (234)
free base

>  <CAS> (234)
677331-12-3

>  <URL> (234)
http://www.selleck.cn/products/icrt14.html

$$$$

csChFnd80/01212111362D

 20 21  0  0  0  0  0  0  0  0999 V2000
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6764

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C14H12N2O4

>  <MolWeight> (235)
272.25608

>  <Cat> (235)
S6568

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ML346

>  <Synonyms> (235)
N/A

>  <Target> (235)
HSP (e.g. HSP90)

>  <Form> (235)
Free Base

>  <CAS> (235)
100872-83-1

>  <URL> (235)
http://www.selleck.cn/products/ml346.html

$$$$

csChFnd80/01212111362D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (236)
6778

>  <Formula> (236)
C19H17N7O3

>  <MolWeight> (236)
391.38338

>  <Cat> (236)
S6616

>  <Name> (236)
ETC-159

>  <Synonyms> (236)
ETC-1922159

>  <Target> (236)
Wnt/beta-catenin

>  <Form> (236)
Free Base

>  <CAS> (236)
1638250-96-0

>  <URL> (236)
http://www.selleck.cn/products/etc-159.html

$$$$

csChFnd80/01212111362D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (237)
6792

>  <Formula> (237)
C18H13ClF2N6O

>  <MolWeight> (237)
402.7852264

>  <Cat> (237)
S6636

>  <Name> (237)
Azaindole 1 (TC-S 7001)

>  <Synonyms> (237)
N/A

>  <Target> (237)
ROCK

>  <Form> (237)
Free Base

>  <CAS> (237)
867017-68-3

>  <URL> (237)
http://www.selleck.cn/products/azaindole-1.html

$$$$

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 33 36  0  0  0  0  0  0  0  0999 V2000
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S6721

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JG98

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N/A

>  <Target> (238)
HSP (e.g. HSP90)

>  <Form> (238)
Free Base

>  <CAS> (238)
1456551-16-8

>  <URL> (238)
http://www.selleck.cn/products/jg98.html

$$$$

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M  END
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6811

>  <Formula> (239)
C22H23F3N8O

>  <MolWeight> (239)
472.4662296

>  <Cat> (239)
S6723

>  <Name> (239)
LXS-196

>  <Synonyms> (239)
IDE-196

>  <Target> (239)
PKC

>  <Form> (239)
Free Base

>  <CAS> (239)
1874276-76-2

>  <URL> (239)
http://www.selleck.cn/products/lxs-196.html

$$$$

csChFnd80/01212111362D

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>  <Mol_ID> (240)
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>  <Formula> (240)
C25H26N2O5

>  <MolWeight> (240)
434.48434

>  <Cat> (240)
S6745

>  <Name> (240)
JW55

>  <Synonyms> (240)
N/A

>  <Target> (240)
Wnt/beta-catenin

>  <Form> (240)
Free Base

>  <CAS> (240)
664993-53-7

>  <URL> (240)
http://www.selleck.cn/products/jw55.html

$$$$

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>  <Mol_ID> (241)
6841

>  <Formula> (241)
C25H26N8O

>  <MolWeight> (241)
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>  <Cat> (241)
S7716

>  <Name> (241)
TAS-116

>  <Synonyms> (241)
N/A

>  <Target> (241)
HSP (e.g. HSP90)

>  <Form> (241)
Free Base

>  <CAS> (241)
1260533-36-5

>  <URL> (241)
http://www.selleck.cn/products/tas-116.html

$$$$

csChFnd80/01212111362D

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    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> (246)
6948

>  <Formula> (246)
C23H30Cl2NNa2O6P

>  <MolWeight> (246)
564.346701

>  <Cat> (246)
S2441

>  <Name> (246)
Estramustine phosphate sodium

>  <Synonyms> (246)
EMP, Emcyt, Estracyt

>  <Target> (246)
Microtubule Associated

>  <Form> (246)
Phosphate sodium

>  <CAS> (246)
52205-73-9

>  <URL> (246)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/01212111362D

 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> (247)
6949

>  <Formula> (247)
C13H17N3O2

>  <MolWeight> (247)
247.29298

>  <Cat> (247)
S2444

>  <Name> (247)
Parbendazole

>  <Synonyms> (247)
SKF 29044

>  <Target> (247)
Microtubule Associated

>  <Form> (247)
Free Base

>  <CAS> (247)
14255-87-9

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

$$$$

csChFnd80/01212111362D

 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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    4.6365    2.3237    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> (248)
6979

>  <Formula> (248)
C26H23N5O2

>  <MolWeight> (248)
437.49312

>  <Cat> (248)
S8961

>  <Name> (248)
Alobresib (GS-5829)

>  <Synonyms> (248)
N/A

>  <Target> (248)
Epigenetic Reader Do

>  <Form> (248)
Free Base

>  <CAS> (248)
1637771-14-2

>  <URL> (248)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/01212111362D

 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
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    5.8820    3.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7488    6.4903    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
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
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  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 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
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
M  END
>  <Mol_ID> (249)
6987

>  <Formula> (249)
C19H19N5

>  <MolWeight> (249)
317.38766

>  <Cat> (249)
S2642

>  <Name> (249)
1-Naphthyl PP1(1-NA-PP1)

>  <Synonyms> (249)
N/A

>  <Target> (249)
Src

>  <Form> (249)
Free Base

>  <CAS> (249)
221243-82-9

>  <URL> (249)
http://www.selleckchem.com/products/1-na-pp1.html

$$$$

csChFnd80/01212111362D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  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
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
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 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (250)
7012

>  <Formula> (250)
C12H8ClNO4S

>  <MolWeight> (250)
297.71422

>  <Cat> (250)
S6796

>  <Name> (250)
BTB-1

>  <Synonyms> (250)
N/A

>  <Target> (250)
Kinesin

>  <Form> (250)
Free Base

>  <CAS> (250)
86030-08-2

>  <URL> (250)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/01212111362D

 61 66  0  0  0  0  0  0  0  0999 V2000
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   28.6912   13.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (251)
7033

>  <Formula> (251)
C43H46F3N7O7S

>  <MolWeight> (251)
861.9282496

>  <Cat> (251)
S8888

>  <Name> (251)
GMB-475

>  <Synonyms> (251)
N/A

>  <Target> (251)
PROTAC

>  <Form> (251)
Free Base

>  <CAS> (251)
no cas

>  <URL> (251)
http://www.selleckchem.com/products/gmb-475.html

$$$$

csChFnd80/01212111362D

 52 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (252)
7057

>  <Formula> (252)
C39H65N5O8

>  <MolWeight> (252)
731.9621

>  <Cat> (252)
S0328

>  <Name> (252)
MMAF

>  <Synonyms> (252)
Monomethylauristatin F

>  <Target> (252)
Microtubule Associat

>  <Form> (252)
Free Base

>  <CAS> (252)
745017-94-1

>  <URL> (252)
http://www.selleckchem.com/products/mmaf.html

$$$$

csChFnd80/01212111362D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (253)
7058

>  <Formula> (253)
C21H18F3N5O

>  <MolWeight> (253)
413.3957296

>  <Cat> (253)
S0360

>  <Name> (253)
EGFR?Inhibitor

>  <Synonyms> (253)
N/A

>  <Target> (253)
EGFR

>  <Form> (253)
Free Base

>  <CAS> (253)
879127-07-8

>  <URL> (253)
http://www.selleckchem.com/products/egfr-inhibitor.html

$$$$

csChFnd80/01212111362D

 45 48  0  0  0  0  0  0  0  0999 V2000
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    3.3668    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4900    6.0253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4900    7.4253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4028    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0404    2.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7860    3.6427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0269    1.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6928    1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  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  1  1  0  0  0  0
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 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 11  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 10 23  1  0  0  0  0
 17 24  2  0  0  0  0
 19 25  1  6  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 22  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 26  1  0  0  0  0
 20 30  1  0  0  0  0
 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
 26 37  1  1  0  0  0
 30 38  1  1  0  0  0
 31 38  1  6  0  0  0
 30 39  1  0  0  0  0
 20 40  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 42 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (254)
7078

>  <Formula> (254)
C32H43ClN2O9

>  <MolWeight> (254)
635.14482

>  <Cat> (254)
S2447

>  <Name> (254)
Ansamitocin P-3

>  <Synonyms> (254)
Antibiotic C 15003P3

>  <Target> (254)
ADC Cytotoxin

>  <Form> (254)
Free Base

>  <CAS> (254)
66584-72-3

>  <URL> (254)
http://www.selleckchem.com/products/ansamitocin-p-3-maytansinol-isobutyrate.html

$$$$

csChFnd80/01212111362D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.4632    1.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8421    0.8314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7411    1.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5642    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1200    1.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6028    0.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9821    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8795    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3976    2.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0218    2.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1740    4.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    5.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3168    5.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4164    4.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
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  1 17  1  0  0  0  0
 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (255)
7104

>  <Formula> (255)
C30H28O8

>  <MolWeight> (255)
516.53852

>  <Cat> (255)
S7862

>  <Name> (255)
Rottlerin

>  <Synonyms> (255)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (255)
PKC

>  <Form> (255)
Free Base

>  <CAS> (255)
82-08-6

>  <URL> (255)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/01212111362D

 21 23  0  0  0  0  0  0  0  0999 V2000
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    3.8036    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911    2.8000    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
  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> (256)
7148

>  <Formula> (256)
C16H18N2O2S

>  <MolWeight> (256)
302.39132

>  <Cat> (256)
S0279

>  <Name> (256)
Dimethylenastron

>  <Target> (256)
Kinesin

>  <Form> (256)
free base

>  <CAS> (256)
863774-58-7

>  <URL> (256)
http://www.selleckchem.com/products/dimethylenastron.html

$$$$

csChFnd80/01212111362D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (257)
7150

>  <Formula> (257)
C21H19N3O2S2

>  <MolWeight> (257)
409.52446

>  <Cat> (257)
S0294

>  <Name> (257)
HSF1A

>  <Target> (257)
HSP (HSP90)

>  <Form> (257)
free base

>  <CAS> (257)
1196723-93-9

>  <URL> (257)
http://www.selleckchem.com/products/hsf1a.html

$$$$

csChFnd80/01212111362D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (258)
7154

>  <Formula> (258)
C24H21Cl2NO5

>  <MolWeight> (258)
474.33324

>  <Cat> (258)
S0314

>  <Name> (258)
TR-14035

>  <Target> (258)
Integrin

>  <Form> (258)
free base

>  <CAS> (258)
232271-19-1

>  <URL> (258)
http://www.selleckchem.com/products/tr-14035.html

$$$$

csChFnd80/01212111362D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
7164

>  <Formula> (259)
C22H16ClN3O2

>  <MolWeight> (259)
389.83434

>  <Cat> (259)
S0444

>  <Name> (259)
Indibulin

>  <Target> (259)
Microtubule Associat

>  <Form> (259)
free base

>  <CAS> (259)
204205-90-3

>  <URL> (259)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/01212111362D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (260)
7167

>  <Formula> (260)
C14H10N4O3S

>  <MolWeight> (260)
314.3192

>  <Cat> (260)
S0458

>  <Name> (260)
KY1220

>  <Target> (260)
Wnt/beta-catenin

>  <Form> (260)
free base

>  <CAS> (260)
292168-79-7

>  <URL> (260)
http://www.selleckchem.com/products/ky1220.html

$$$$

csChFnd80/01212111362D

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   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
    4.7753    5.5414    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
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  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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 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
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 25 27  1  0  0  0  0
 17 28  1  1  0  0  0
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 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
 40 43  1  0  0  0  0
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 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 47 49  1  0  0  0  0
 47 48  1  0  0  0  0
 41 48  1  1  0  0  0
 41 46  1  0  0  0  0
 46 49  1  0  0  0  0
 45 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 49  1  0  0  0  0
 43 53  1  0  0  0  0
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 53 55  1  0  0  0  0
 43 56  1  1  0  0  0
 40 57  1  1  0  0  0
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 60 61  1  0  0  0  0
 29 62  1  0  0  0  0
 62 63  1  0  0  0  0
M  END
>  <Mol_ID> (261)
7197

>  <Formula> (261)
C43H57N5O11S

>  <MolWeight> (261)
852.00458

>  <Cat> (261)
S2440

>  <Name> (261)
Vindesine sulfate

>  <Target> (261)
Microtubule Associat

>  <Form> (261)
sulfate

>  <CAS> (261)
59917-39-4

>  <URL> (261)
http://www.selleckchem.com/products/vindesine-sulfate.html

$$$$

csChFnd80/01212111362D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8653    3.6939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4305    3.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    4.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784    5.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3621    7.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    7.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    2.3007    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0784    4.3631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3417    2.1459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.0000    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 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> (262)
7202

>  <Formula> (262)
C21H32O2

>  <MolWeight> (262)
316.47758

>  <Cat> (262)
S3206

>  <Name> (262)
5a-Pregnane-3,20-dione

>  <Target> (262)
Microtubule Associat

>  <Form> (262)
free base

>  <CAS> (262)
566-65-4

>  <URL> (262)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/01212111362D

 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
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.1951    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
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5879    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
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (263)
7209

>  <Formula> (263)
C7H7NO2

>  <MolWeight> (263)
137.13598

>  <Cat> (263)
S3220

>  <Name> (263)
Trigonelline

>  <Target> (263)
Phospholipase (e.g. 

>  <Form> (263)
free base

>  <CAS> (263)
535-83-1

>  <URL> (263)
http://www.selleckchem.com/products/trigonelline.html

$$$$

csChFnd80/01212111362D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4250    5.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    3.5001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  8  2  1  1  0  0  0
  9  3  1  6  0  0  0
 10  4  1  1  0  0  0
 11  5  1  6  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (264)
7211

>  <Formula> (264)
C7H14O6

>  <MolWeight> (264)
194.18246

>  <Cat> (264)
S3223

>  <Name> (264)
L-Quebrachitol

>  <Target> (264)
TGF-beta/Smad

>  <Form> (264)
free base

>  <CAS> (264)
642-38-6

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

$$$$

csChFnd80/01212111362D

 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
    8.6405    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.2635    5.1422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4759    5.8422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5563    3.7817    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    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
  7  1  1  1  0  0  0
  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> (265)
7212

>  <Formula> (265)
C26H34O6

>  <MolWeight> (265)
442.54456

>  <Cat> (265)
S3224

>  <Name> (265)
Cinobufagin

>  <Target> (265)
ATM/ATR

>  <Form> (265)
free base

>  <CAS> (265)
470-37-1

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

$$$$

csChFnd80/01212111362D

 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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    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.5564    0.1442    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    3.6048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5079    1.2709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  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> (266)
7220

>  <Formula> (266)
C24H32O4

>  <MolWeight> (266)
384.50848

>  <Cat> (266)
S3238

>  <Name> (266)
Resibufogenin

>  <Target> (266)
RIP kinase

>  <Form> (266)
free base

>  <CAS> (266)
465-39-4

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

$$$$

csChFnd80/01212111362D

 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
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578   11.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    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
  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> (267)
7223

>  <Formula> (267)
C17H18O4

>  <MolWeight> (267)
286.32242

>  <Cat> (267)
S3241

>  <Name> (267)
Loureirin A

>  <Target> (267)
Akt

>  <Form> (267)
free base

>  <CAS> (267)
119425-89-7

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

$$$$

csChFnd80/01212111362D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (268)
7250

>  <Formula> (268)
C30H16O8

>  <MolWeight> (268)
504.44324

>  <Cat> (268)
S3273

>  <Name> (268)
Hypericin

>  <Target> (268)
MAO

>  <Form> (268)
free base

>  <CAS> (268)
548-04-9

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

$$$$

csChFnd80/01212111362D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (269)
7264

>  <Formula> (269)
C19H12O7

>  <MolWeight> (269)
352.29438

>  <Cat> (269)
S3289

>  <Name> (269)
Daphnoretin

>  <Target> (269)
PKC

>  <Form> (269)
free base

>  <CAS> (269)
2034-69-7

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

$$$$

csChFnd80/01212111362D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0024    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
  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
  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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (270)
7268

>  <Formula> (270)
C16H17NO3

>  <MolWeight> (270)
271.31108

>  <Cat> (270)
S3294

>  <Name> (270)
Demethyl-Coclaurine

>  <Target> (270)
Adrenergic Receptor

>  <Form> (270)
free base

>  <CAS> (270)
5843-65-2

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

$$$$

csChFnd80/01212111362D

 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
    4.1951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (271)
7270

>  <Formula> (271)
C16H12O6

>  <MolWeight> (271)
300.26288

>  <Cat> (271)
S3296

>  <Name> (271)
Hispidulin

>  <Target> (271)
Pim

>  <Form> (271)
free base

>  <CAS> (271)
1447-88-7

>  <URL> (271)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/01212111362D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (272)
7290

>  <Formula> (272)
C27H33ClN2O4

>  <MolWeight> (272)
485.01492

>  <Cat> (272)
S6760

>  <Name> (272)
LM22B-10

>  <Target> (272)
Trk receptor

>  <Form> (272)
free base

>  <CAS> (272)
342777-54-2

>  <URL> (272)
http://www.selleckchem.com/products/lm2b-10.html

$$$$

csChFnd80/01212111362D

 33 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (273)
7295

>  <Formula> (273)
C27H24N6

>  <MolWeight> (273)
432.51966

>  <Cat> (273)
S6811

>  <Name> (273)
Miransertib (ARQ-092)

>  <Target> (273)
Akt

>  <Form> (273)
free base

>  <CAS> (273)
1313881-70-7

>  <URL> (273)
http://www.selleckchem.com/products/miransertib.html

$$$$

csChFnd80/01212111362D

 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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M  END
>  <Mol_ID> (274)
7298

>  <Formula> (274)
C15H18Cl2N2O2S

>  <MolWeight> (274)
361.28662

>  <Cat> (274)
S6847

>  <Name> (274)
ML-9 HCl

>  <Target> (274)
Akt

>  <Form> (274)
hydrochloride

>  <CAS> (274)
105637-50-1

>  <URL> (274)
http://www.selleckchem.com/products/ml-9-hcl.html

$$$$

csChFnd80/01212111362D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (275)
7348

>  <Formula> (275)
C18H19N5O3

>  <MolWeight> (275)
353.37516

>  <Cat> (275)
S8965

>  <Name> (275)
BO-264

>  <Target> (275)
TACC3

>  <Form> (275)
free base

>  <CAS> (275)
2408648-20-2

>  <URL> (275)
http://www.selleckchem.com/products/bo-264.html

$$$$

csChFnd80/01212111362D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (276)
7362

>  <Formula> (276)
C18H32O3

>  <MolWeight> (276)
296.44488

>  <Cat> (276)
S9611

>  <Name> (276)
ABTL-0812

>  <Target> (276)
Others

>  <Form> (276)
free base

>  <CAS> (276)
57818-44-7

>  <URL> (276)
http://www.selleckchem.com/products/abtl-0812.html

$$$$

csChFnd80/01212111362D

 35 42  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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 16 17  1  0  0  0  0
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 19  9  2  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
  5 20  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  2  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 19  1  0  0  0  0
 27 30  2  0  0  0  0
  1 31  1  6  0  0  0
  2 32  1  1  0  0  0
  3 34  1  1  0  0  0
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M  END
>  <Mol_ID> (277)
7377

>  <Formula> (277)
C28H26N4O3

>  <MolWeight> (277)
466.53104

>  <Cat> (277)
S1421

>  <Name> (277)
Staurosporine

>  <Synonyms> (277)
CGP 41251

>  <Target> (277)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (277)
Free Base

>  <CAS> (277)
62996-74-1

>  <URL> (277)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/01212111362D

 46 45  0  0  0  0  0  0  0  0999 V2000
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    3.6500    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9288    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (278)
7379

>  <Formula> (278)
C45H74O

>  <MolWeight> (278)
631.06846

>  <Cat> (278)
S2360

>  <Name> (278)
Solanesol (Nonaisoprenol)

>  <Synonyms> (278)
Nonaisoprenol, Betulanonaprenol

>  <Target> (278)
others

>  <Form> (278)
Free Base

>  <CAS> (278)
13190-97-1

>  <URL> (278)
https://www.selleckchem.com/products/solanesol-nonaisoprenol.html

$$$$

csChFnd80/01212111362D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  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
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 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> (279)
7403

>  <Formula> (279)
C21H18N2O

>  <MolWeight> (279)
314.38042

>  <Cat> (279)
S0765

>  <Name> (279)
MAZ51

>  <Synonyms> (279)
N/A

>  <Target> (279)
VEGFR. Akt. GSK-3. Rho. apoptosis related

>  <Form> (279)
Free Base

>  <CAS> (279)
163655-37-6

>  <URL> (279)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/01212111362D

 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
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    8.9478    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1602    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7353    2.2330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    0.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7975    0.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0099    0.8330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0099    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7975    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5851    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    2.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 13 23  1  0  0  0  0
M  END
>  <Mol_ID> (280)
7506

>  <Formula> (280)
C17H16FN5

>  <MolWeight> (280)
309.3408432

>  <Cat> (280)
S0373

>  <Name> (280)
CZC-8004

>  <Synonyms> (280)
CZC-00008004

>  <Target> (280)
Bcr-Abl

>  <Form> (280)
Free Base

>  <CAS> (280)
916603-07-1

>  <URL> (280)
https://www.selleckchem.com/products/czc-8004.html

$$$$

csChFnd80/01212111362D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    6.4861    2.6704    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
 17 18  1  0  0  0  0
 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> (281)
7527

>  <Formula> (281)
C16H12ClNO

>  <MolWeight> (281)
269.72558

>  <Cat> (281)
S0780

>  <Name> (281)
Oncrasin-1

>  <Synonyms> (281)
N/A

>  <Target> (281)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (281)
Free Base

>  <CAS> (281)
75629-57-1

>  <URL> (281)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/01212111362D

 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
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (282)
7553

>  <Formula> (282)
C22H31N9O

>  <MolWeight> (282)
437.54124

>  <Cat> (282)
S1272

>  <Name> (282)
XL228

>  <Synonyms> (282)
N/A

>  <Target> (282)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (282)
Free Base

>  <CAS> (282)
898280-07-4

>  <URL> (282)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/01212111362D

 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
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  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
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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
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 15 16  1  0  0  0  0
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 18 20  1  1  0  0  0
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 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
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 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
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 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
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M  END
>  <Mol_ID> (283)
7554

>  <Formula> (283)
C29H30O13

>  <MolWeight> (283)
586.5407

>  <Cat> (283)
S1273

>  <Name> (283)
Amarogentin

>  <Synonyms> (283)
AG

>  <Target> (283)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (283)
Free Base

>  <CAS> (283)
21018-84-8

>  <URL> (283)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/01212111362D

 16 18  0  0  0  0  0  0  0  0999 V2000
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    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
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    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> (284)
7556

>  <Formula> (284)
C13H8O3

>  <MolWeight> (284)
212.20082

>  <Cat> (284)
S1321

>  <Name> (284)
Urolithin B

>  <Synonyms> (284)
N/A

>  <Target> (284)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (284)
Free Base

>  <CAS> (284)
1139-83-9

>  <URL> (284)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/01212111362D

 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> (285)
7566

>  <Formula> (285)
C13H17Cl2N3O2S

>  <MolWeight> (285)
350.26398

>  <Cat> (285)
S2964

>  <Name> (285)
HA-100 dihydrochloride

>  <Synonyms> (285)
N/A

>  <Target> (285)
PKG, PKA, PKC, MLCK

>  <Form> (285)
Dihydrochlori

>  <CAS> (285)
210297-47-5

>  <URL> (285)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/01212111362D

 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> (286)
7673

>  <Formula> (286)
C7H7NO3

>  <MolWeight> (286)
153.13538

>  <Cat> (286)
S3355

>  <Name> (286)
3-Hydroxyanthranilic acid

>  <Synonyms> (286)
3-HAA, 3-HANA

>  <Target> (286)
PI3K, Akt, mTOR, NF-¦ÊB

>  <Form> (286)
Free Base

>  <CAS> (286)
548-93-6

>  <URL> (286)
https://www.selleckchem.com/products/3-hydroxyanthranilic-acid.html

$$$$

csChFnd80/01212111362D

 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> (287)
7695

>  <Formula> (287)
C15H15NO4S

>  <MolWeight> (287)
305.3489

>  <Cat> (287)
S6901

>  <Name> (287)
MSAB

>  <Synonyms> (287)
N/A

>  <Target> (287)
Wnt/beta-catenin

>  <Form> (287)
Free Base

>  <CAS> (287)
173436-66-3

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

$$$$
