untitled.cdx
csChFnd80/03192410402D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.9377    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 15 10  1  0  0  0  0
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 20  9  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1)
32

>  <Formula> (1)
C23H28N8OS

>  <MolWeight> (1)
464.58642

>  <Cat> (1)
S1048

>  <Name> (1)
Tozasertib

>  <Synonyms> (1)
VX-680, MK-0457

>  <Target> (1)
Aurora Kinase,Autophagy,Bcr-Abl,FLT3

>  <Form> (1)
free base

>  <CAS> (1)
639089-54-6

>  <URL> (1)
http://selleckchem.com/products/VX-680(MK-0457).html

$$$$
Y-27632 2HCL.cdx
csChFnd80/03192410402D

 20 19  0  0  0  0  0  0  0  0999 V2000
   10.0971    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2)
33

>  <Formula> (2)
C14H23Cl2N3O

>  <MolWeight> (2)
320.25792

>  <Cat> (2)
S1049

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

>  <Synonyms> (2)
N/A

>  <Target> (2)
Autophagy,ROCK

>  <Form> (2)
Dihydrochloride

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

>  <URL> (2)
http://selleckchem.com/products/Y-27632.html

$$$$
untitled.cdx
csChFnd80/03192410402D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  8 10  1  0  0  0  0
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 10 12  1  0  0  0  0
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 13 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (3)
34

>  <Formula> (3)
C19H20N4O2S2

>  <MolWeight> (3)
400.5177

>  <Cat> (3)
S1052

>  <Name> (3)
Elesclomol (STA-4783)

>  <Synonyms> (3)
N/A

>  <Target> (3)
Apoptosis related,HSP (HSP90)

>  <Form> (3)
free base

>  <CAS> (3)
488832-69-5

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

$$$$
NVP-AUY922 .cdx
csChFnd80/03192410402D

 34 37  0  0  0  0  0  0  0  0999 V2000
    8.1170    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0170   10.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4170    7.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5121    9.0515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3194   11.4722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5512    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0770    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3623    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1226    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 12  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 29  1  0  0  0  0
M  END
>  <Mol_ID> (4)
43

>  <Formula> (4)
C26H31N3O5

>  <MolWeight> (4)
465.54144

>  <Cat> (4)
S1069

>  <Name> (4)
Luminespib (NVP-AUY922)

>  <Synonyms> (4)
AUY-922, VER-52296

>  <Target> (4)
Apoptosis related,Autophagy,HSP (HSP90),IGF-1R

>  <Form> (4)
free base

>  <CAS> (4)
747412-49-3

>  <URL> (4)
http://selleckchem.com/products/NVP-AUY922.html

$$$$
1.cdx
csChFnd80/03192410402D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    4.7277    7.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4172    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Target> (5)
Aurora Kinase

>  <Form> (5)
free base

>  <CAS> (5)
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>  <URL> (5)
http://selleckchem.com/products/MLN8054.html

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>  <MolWeight> (6)
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>  <Cat> (6)
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>  <Name> (6)
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>  <Synonyms> (6)
N/A

>  <Target> (6)
Aurora Kinase

>  <Form> (6)
free base

>  <CAS> (6)
331771-20-1

>  <URL> (6)
http://selleckchem.com/products/ZM-447439.html

$$$$
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>  <Mol_ID> (7)
69

>  <Formula> (7)
C26H30N6O3

>  <MolWeight> (7)
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>  <Cat> (7)
S1107

>  <Name> (7)
Danusertib (PHA-739358)

>  <Synonyms> (7)
N/A

>  <Target> (7)
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor

>  <Form> (7)
free base

>  <CAS> (7)
827318-97-8

>  <URL> (7)
http://selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
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M  END
>  <Mol_ID> (8)
70

>  <Formula> (8)
C28H39N7O3

>  <MolWeight> (8)
521.65436

>  <Cat> (8)
S1109

>  <Name> (8)
BI 2536

>  <Synonyms> (8)
N/A

>  <Target> (8)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Myc,PLK

>  <Form> (8)
free base

>  <CAS> (8)
755038-02-9

>  <URL> (8)
http://selleckchem.com/products/BI-2536.html

$$$$
mln8237.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (9)
79

>  <Formula> (9)
C27H20ClFN4O4

>  <MolWeight> (9)
518.9235032

>  <Cat> (9)
S1133

>  <Name> (9)
Alisertib (MLN8237)

>  <Synonyms> (9)
N/A

>  <Target> (9)
Apoptosis related,Aurora Kinase,Autophagy

>  <Form> (9)
free base

>  <CAS> (9)
1028486-01-2

>  <URL> (9)
http://selleckchem.com/products/MLN8237.html

$$$$
AT9283.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (10)
81

>  <Formula> (10)
C19H23N7O2

>  <MolWeight> (10)
381.43162

>  <Cat> (10)
S1134

>  <Name> (10)
AT9283

>  <Synonyms> (10)
N/A

>  <Target> (10)
Aurora Kinase,Bcr-Abl,JAK

>  <Form> (10)
free base

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

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

$$$$
untitled.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (11)
83

>  <Formula> (11)
C31H43N3O8

>  <MolWeight> (11)
585.68842

>  <Cat> (11)
S1141

>  <Name> (11)
Tanespimycin (17-AAG)

>  <Synonyms> (11)
CP127374, NSC-330507, KOS 953

>  <Target> (11)
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy

>  <Form> (11)
free base

>  <CAS> (11)
75747-14-7

>  <URL> (11)
http://selleckchem.com/products/17-AAG(Geldanamycin).html

$$$$
17-DMAG.cdx
csChFnd80/03192410402D

 45 45  0  0  0  0  0  0  0  0999 V2000
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    7.5791    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0039    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 22  1  6  0  0  0
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 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
 27 32  1  0  0  0  0
 27 33  1  1  0  0  0
 32 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 39 40  2  0  0  0  0
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  3 42  2  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 17 18  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (12)
85

>  <Formula> (12)
C32H49ClN4O8

>  <MolWeight> (12)
653.20646

>  <Cat> (12)
S1142

>  <Name> (12)
Alvespimycin (17-DMAG) HCl

>  <Synonyms> (12)
NSC 707545,BMS 826476 HCl,KOS 1022

>  <Target> (12)
HSP (HSP90)

>  <Form> (12)
Hydrochloride

>  <CAS> (12)
467214-21-7

>  <URL> (12)
http://selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

$$$$
untitled.cdx
csChFnd80/03192410402D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.3342    2.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0683    0.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7236    2.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
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M  END
>  <Mol_ID> (13)
88

>  <Formula> (13)
C17H24N4O2S2

>  <MolWeight> (13)
380.52806

>  <Cat> (13)
S1145

>  <Name> (13)
SNS-032 (BMS-387032)

>  <Synonyms> (13)
N/A

>  <Target> (13)
Apoptosis related,CDK

>  <Form> (13)
free base

>  <CAS> (13)
345627-80-7

>  <URL> (13)
http://selleckchem.com/products/SNS-032.html

$$$$
untitled.cdx
csChFnd80/03192410402D

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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 21 32  2  0  0  0  0
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 36 21  1  0  0  0  0
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M  END
>  <Mol_ID> (14)
89

>  <Formula> (14)
C26H30FN7O3

>  <MolWeight> (14)
507.5599032

>  <Cat> (14)
S1147

>  <Name> (14)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (14)
AZD2811, INH-34, Barasertib-HQPA , Defosbarasertib

>  <Target> (14)
Aurora Kinase

>  <Form> (14)
free base

>  <CAS> (14)
722544-51-6

>  <URL> (14)
http://selleckchem.com/products/AZD1152-HQPA.html

$$$$
Docetaxel.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (15)
90

>  <Formula> (15)
C43H53NO14

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>  <Name> (15)
Docetaxel (RP56976)

>  <Synonyms> (15)
NSC 628503,RP56976

>  <Target> (15)
Microtubule Associated

>  <Form> (15)
Free Base

>  <CAS> (15)
114977-28-5

>  <URL> (15)
http://selleckchem.com/products/Docetaxel(Taxotere).html

$$$$
Paclitaxel.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (16)
91

>  <Formula> (16)
C47H51NO14

>  <MolWeight> (16)
853.90614

>  <Cat> (16)
S1150

>  <Name> (16)
Paclitaxel (NSC 125973)

>  <Synonyms> (16)
PTX, Taxol, Onxal, Abraxane,NSC 125973

>  <Target> (16)
ADC Cytotoxin,Antineoplastic and Immunosuppressive Antibiotics,Autophagy,Microtubule Associated

>  <Form> (16)
free base

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

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

$$$$
untitled.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (17)
93

>  <Formula> (17)
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>  <MolWeight> (17)
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>  <Cat> (17)
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>  <Name> (17)
Roscovitine (CYC202)

>  <Synonyms> (17)
Seliciclib, R-roscovitine

>  <Target> (17)
CDK

>  <Form> (17)
free base

>  <CAS> (17)
186692-46-6

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

$$$$
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csChFnd80/03192410402D

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  8  5  1  1  0  0  0
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M  END
>  <Mol_ID> (18)
95

>  <Formula> (18)
C15H22FN3O6

>  <MolWeight> (18)
359.3500832

>  <Cat> (18)
S1156

>  <Name> (18)
Capecitabine?(RO 09-1978)

>  <Synonyms> (18)
RO 09-1978

>  <Target> (18)
Apoptosis related,DNA/RNA Synthesis

>  <Form> (18)
free base

>  <CAS> (18)
154361-50-9

>  <URL> (18)
http://selleckchem.com/products/Capecitabine(Xeloda).html

$$$$
abt-751.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (19)
96

>  <Formula> (19)
C18H17N3O4S

>  <MolWeight> (19)
371.41028

>  <Cat> (19)
S1165

>  <Name> (19)
ABT-751 (E7010)

>  <Synonyms> (19)
N/A

>  <Target> (19)
Microtubule Associated

>  <Form> (19)
free base

>  <CAS> (19)
141430-65-1

>  <URL> (19)
http://selleckchem.com/products/ABT-751.html

$$$$
cyc116.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (20)
100

>  <Formula> (20)
C18H20N6OS

>  <MolWeight> (20)
368.456

>  <Cat> (20)
S1171

>  <Name> (20)
CYC116

>  <Synonyms> (20)
N/A

>  <Target> (20)
Aurora Kinase,VEGFR

>  <Form> (20)
free base

>  <CAS> (20)
693228-63-6

>  <URL> (20)
http://selleckchem.com/products/CYC116.html

$$$$
BIIB021 (CNF2024).cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (21)
103

>  <Formula> (21)
C14H15ClN6O

>  <MolWeight> (21)
318.7615

>  <Cat> (21)
S1175

>  <Name> (21)
BIIB021

>  <Synonyms> (21)
CNF2024

>  <Target> (21)
HSP (HSP90)

>  <Form> (21)
free base

>  <CAS> (21)
848695-25-0

>  <URL> (21)
http://selleckchem.com/products/BIIB021.html

$$$$
ENMD-2076.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (22)
109

>  <Formula> (22)
C21H25N7

>  <MolWeight> (22)
375.4701

>  <Cat> (22)
S1181

>  <Name> (22)
ENMD-2076

>  <Synonyms> (22)
N/A

>  <Target> (22)
Apoptosis related,Aurora Kinase,CSF-1R,FGFR,FLT3,PDGFR,Src,VEGFR

>  <Form> (22)
Tartaric Acid

>  <CAS> (22)
934353-76-1

>  <URL> (22)
http://selleckchem.com/products/enmd-2076.html

$$$$
Raltitrexed.cdx
csChFnd80/03192410402D

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   13.2965    3.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5965    4.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2965    5.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6965    5.9534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3965    4.7409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6965    1.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8965    3.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1965    7.1658    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  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
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 20 29  1  0  0  0  0
 24 29  2  0  0  0  0
 23 30  2  0  0  0  0
 21 31  1  0  0  0  0
 19 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 16 18  1  0  0  0  0
 11 13  1  0  0  0  0
 10 11  1  0  0  0  0
  2 10  1  6  0  0  0
M  END
>  <Mol_ID> (23)
117

>  <Formula> (23)
C21H22N4O6S

>  <MolWeight> (23)
458.48758

>  <Cat> (23)
S1192

>  <Name> (23)
Raltitrexed

>  <Synonyms> (23)
ZD-1694, ICI-D1694, D1694

>  <Target> (23)
DNA/RNA Synthesis,Thymidylate Synthase

>  <Form> (23)
free base

>  <CAS> (23)
112887-68-0

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

$$$$
Cladribine.cdx
csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7117    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.7109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0382    1.5690    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0281    0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2755    1.2147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0565    2.5974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6737    2.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0430    3.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5186    0.5813    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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  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 12  1  0  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 14 19  1  1  0  0  0
 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (24)
120

>  <Formula> (24)
C10H12ClN5O3

>  <MolWeight> (24)
285.68698

>  <Cat> (24)
S1199

>  <Name> (24)
Cladribine (RWJ 26251)

>  <Synonyms> (24)
Leustatin,2-CdA,2-Chloro-2¡ä-deoxyadenosine,CldAdo,Jk 6251,NSC 105014,RWJ 26251

>  <Target> (24)
Adenosine Deaminase,DNA/RNA Synthesis

>  <Form> (24)
free base

>  <CAS> (24)
4291-63-8

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

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/03192410402D

  9  9  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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 F   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 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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  2  0  0  0  0
  1  9  2  0  0  0  0
M  END
>  <Mol_ID> (25)
125

>  <Formula> (25)
C4H3FN2O2

>  <MolWeight> (25)
130.0772232

>  <Cat> (25)
S1209

>  <Name> (25)
Fluorouracil (5-Fluorouracil, 5-FU)

>  <Synonyms> (25)
NSC 19893,5-Fluorouracil, 5-FU

>  <Target> (25)
Apoptosis related,DNA/RNA Synthesis,HIV,Nucleoside Analog/Antimetabolite,Thymidylate Synthase

>  <Form> (25)
free base

>  <CAS> (25)
51-21-8

>  <URL> (25)
http://selleckchem.com/products/Adrucil(Fluorouracil).html

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/03192410402D

 33 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.8098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5746    4.2122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    4.9122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9994    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2119    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    2.8122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6367    4.9122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5746    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9994    7.0122    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 14 21  1  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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 28  2  0  0  0  0
 24 29  1  6  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (26)
126

>  <Formula> (26)
C20H22N8O5

>  <MolWeight> (26)
454.43928

>  <Cat> (26)
S1210

>  <Name> (26)
Methotrexate (CL-14377)

>  <Synonyms> (26)
NCI-C04671, Amethopterin, CL14377, WR19039, abitrexate

>  <Target> (26)
ADC Cytotoxin,DHFR

>  <Form> (26)
free base

>  <CAS> (26)
59-05-2

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

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/03192410402D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6049    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
    6.0664    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6192    3.7659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4449    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6192    6.0390    0.0000 N   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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8449    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5449    6.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9449    6.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6449    7.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0449    7.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9449    8.5397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0518    7.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6006    0.9058    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 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  2  0  0  0  0
  9 23  1  0  0  0  0
M  END
>  <Mol_ID> (27)
127

>  <Formula> (27)
C16H22Cl3N3O2

>  <MolWeight> (27)
394.72378

>  <Cat> (27)
S1212

>  <Name> (27)
Bendamustine (SDX105) HCl

>  <Synonyms> (27)
Cytostasane HCl

>  <Target> (27)
DNA/RNA Synthesis

>  <Form> (27)
Hydrochloride

>  <CAS> (27)
3543-75-7

>  <URL> (27)
http://selleckchem.com/products/Bendamustine-Hydrochloride.html

$$$$
Arranon (Nelarabine).cdx
csChFnd80/03192410402D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4598    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4598    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9251    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3557    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9634    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    4.1457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8640    2.8667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2563    3.0131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5474    4.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3349    5.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    4.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    1.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1931    1.9727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8996    6.3500    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
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  2 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  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 13  1  0  0  0  0
 13  7  1  6  0  0  0
 16 18  1  6  0  0  0
 14 19  1  6  0  0  0
 15 20  1  1  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (28)
128

>  <Formula> (28)
C11H15N5O5

>  <MolWeight> (28)
297.2673

>  <Cat> (28)
S1213

>  <Name> (28)
Nelarabine

>  <Synonyms> (28)
506U78,Arranon

>  <Target> (28)
DNA/RNA Synthesis

>  <Form> (28)
free base

>  <CAS> (28)
121032-29-9

>  <URL> (28)
http://selleckchem.com/products/Arranon.html

$$$$
Clofarabine.cdx
csChFnd80/03192410402D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7272    3.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    2.4595    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1304    1.5069    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  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2 11  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 12  1  0  0  0  0
 12  7  1  6  0  0  0
 13 17  1  6  0  0  0
 15 18  1  6  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (29)
129

>  <Formula> (29)
C10H11ClFN5O3

>  <MolWeight> (29)
303.6774432

>  <Cat> (29)
S1218

>  <Name> (29)
Clofarabine

>  <Synonyms> (29)
Clolar

>  <Target> (29)
Apoptosis related,Autophagy,DNA/RNA Synthesis,RNR

>  <Form> (29)
free base

>  <CAS> (29)
123318-82-1

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

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/03192410402D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   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
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    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
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    4.1457    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6165    2.8667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0089    3.0131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3000    4.3825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0875    5.0825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5789    4.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165    1.6543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7115    4.1290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9905    4.6985    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.5599    3.4195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4211    5.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695    5.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9457    1.9727    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  5  1  0  0  0  0
  6 10  1  0  0  0  0
  2 11  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 12  1  0  0  0  0
 12  7  1  6  0  0  0
 15 17  1  6  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 14 24  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (30)
136

>  <Formula> (30)
C10H13FN5O7P

>  <MolWeight> (30)
365.2116842

>  <Cat> (30)
S1229

>  <Name> (30)
Fludarabine Phosphate

>  <Synonyms> (30)
F-ara-A (NSC 312887) Phosphate

>  <Target> (30)
DNA/RNA Synthesis

>  <Form> (30)
Phosphate

>  <CAS> (30)
75607-67-9

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

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/03192410402D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    0.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (31)
140

>  <Formula> (31)
C6H6N6O2

>  <MolWeight> (31)
194.15084

>  <Cat> (31)
S1237

>  <Name> (31)
Temozolomide (CCRG 81045)

>  <Synonyms> (31)
NSC 362856,TMZ,CCRG 81045,Methazolastone,Temodar,Temodal

>  <Target> (31)
Apoptosis related,Autophagy,DNA/RNA Synthesis

>  <Form> (31)
free base

>  <CAS> (31)
85622-93-1

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

$$$$
JNJ-7706621.cdx
csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    4.8115    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    4.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160    2.3243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6688    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3778    3.4569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3106    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9434    1.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0720    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3510    1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4836    2.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    3.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    4.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6512    4.2999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4968    0.3832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0892    0.1325    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
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  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 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 18 27  2  0  0  0  0
M  END
>  <Mol_ID> (32)
144

>  <Formula> (32)
C15H12F2N6O3S

>  <MolWeight> (32)
394.3559864

>  <Cat> (32)
S1249

>  <Name> (32)
JNJ-7706621

>  <Synonyms> (32)
N/A

>  <Target> (32)
Aurora Kinase,CDK

>  <Form> (32)
free base

>  <CAS> (32)
443797-96-4

>  <URL> (32)
http://selleckchem.com/products/JNJ-7706621.html

$$$$
Carmofur.cdx
csChFnd80/03192410402D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.1073    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 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
M  END
>  <Mol_ID> (33)
166

>  <Formula> (33)
C11H16FN3O3

>  <MolWeight> (33)
257.2614432

>  <Cat> (33)
S1289

>  <Name> (33)
Carmofur

>  <Synonyms> (33)
HCFU

>  <Target> (33)
COVID-19,DNA/RNA Synthesis

>  <Form> (33)
free base

>  <CAS> (33)
61422-45-5

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

$$$$
Hydroxyurea.cdx
csChFnd80/03192410402D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    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
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (34)
183

>  <Formula> (34)
CH4N2O2

>  <MolWeight> (34)
76.05466

>  <Cat> (34)
S1896

>  <Name> (34)
Hydroxyurea (NSC-32065)

>  <Synonyms> (34)
NCI-C04831, Hydroxycarbamide,NSC-32065

>  <Target> (34)
Apoptosis related,Autophagy,DNA/RNA Synthesis,HIV

>  <Form> (34)
free base

>  <CAS> (34)
127-07-1

>  <URL> (34)
http://selleckchem.com/products/Hydroxyurea(Cytodrox).html

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/03192410402D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    5.2643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190    3.5017    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.2090    2.1371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9558    4.4353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1072    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (35)
189

>  <Formula> (35)
C6H9N3O3

>  <MolWeight> (35)
171.15396

>  <Cat> (35)
S1907

>  <Name> (35)
Metronidazole

>  <Synonyms> (35)
N/A

>  <Target> (35)
Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis

>  <Form> (35)
free base

>  <CAS> (35)
443-48-1

>  <URL> (35)
http://selleckchem.com/products/Metronidazole(Flagyl).html

$$$$
Epothilone A.cdx
csChFnd80/03192410402D

 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
    3.1291    9.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    9.8471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    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> (36)
202

>  <Formula> (36)
C26H39NO6S

>  <MolWeight> (36)
493.65596

>  <Cat> (36)
S1297

>  <Name> (36)
Epothilone A

>  <Synonyms> (36)
N/A

>  <Target> (36)
Microtubule Associated

>  <Form> (36)
free base

>  <CAS> (36)
152044-53-6

>  <URL> (36)
http://selleckchem.com/products/Epothilone-A.html

$$$$
Floxuridine.cdx
csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.4963    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7963    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1963    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9558    2.8913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9762    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9962    1.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276    2.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    3.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5783    4.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2468    4.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2100    5.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3644    1.4536    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9456    4.1877    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
  5  6  1  1  0  0  0
  2  7  1  1  0  0  0
  7  8  1  0  0  0  0
  3  9  1  6  0  0  0
  6 10  1  0  0  0  0
 10 11  2  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  6  1  0  0  0  0
 14 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (37)
203

>  <Formula> (37)
C9H11FN2O5

>  <MolWeight> (37)
246.1924432

>  <Cat> (37)
S1299

>  <Name> (37)
Floxuridine (NSC 27640)

>  <Synonyms> (37)
Deoxyfluorouridine, FUDR,NSC 27640

>  <Target> (37)
Apoptosis related,CMV,DNA/RNA Synthesis

>  <Form> (37)
free base

>  <CAS> (37)
50-91-9

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

$$$$
Ftorafur.cdx
csChFnd80/03192410402D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.0382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.6406    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063    2.1982    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4342    1.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3557    0.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938    1.4568    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  2  9  2  0  0  0  0
 10  3  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (38)
204

>  <Formula> (38)
C8H9FN2O3

>  <MolWeight> (38)
200.1670632

>  <Cat> (38)
S1300

>  <Name> (38)
Tegafur (FT-207)

>  <Synonyms> (38)
NSC 148958,Fluorafur,FT-207

>  <Target> (38)
DNA/RNA Synthesis

>  <Form> (38)
free base

>  <CAS> (38)
17902-23-7

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

$$$$
Ifosfamide.cdx
csChFnd80/03192410402D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   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
    3.6331    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.4000    0.0000 Cl  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
  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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  2  0  0  0  0
M  END
>  <Mol_ID> (39)
206

>  <Formula> (39)
C7H15Cl2N2O2P

>  <MolWeight> (39)
261.085961

>  <Cat> (39)
S1302

>  <Name> (39)
Ifosfamide (NSC109724)

>  <Synonyms> (39)
Mitoxana, Ifex,Isophosphamide,NSC109724

>  <Target> (39)
DNA alkylator,DNA/RNA Synthesis

>  <Form> (39)
free base

>  <CAS> (39)
3778-73-2

>  <URL> (39)
http://selleckchem.com/products/Ifosfamide.html

$$$$
Mercaptopurine.cdx
csChFnd80/03192410402D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   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
    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  4  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
M  END
>  <Mol_ID> (40)
208

>  <Formula> (40)
C5H4N4S

>  <MolWeight> (40)
152.17706

>  <Cat> (40)
S1305

>  <Name> (40)
Mercaptopurine (6-MP)

>  <Synonyms> (40)
6-MP

>  <Target> (40)
DNA/RNA Synthesis

>  <Form> (40)
free base

>  <CAS> (40)
50-44-2

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

$$$$
Flupirtine maleate.cdx
csChFnd80/03192410402D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    4.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8968    4.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8902    3.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2425    4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5279    2.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2359    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5882    3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5781    2.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9505    4.8133    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  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
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  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
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  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  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (41)
219

>  <Formula> (41)
C19H21FN4O6

>  <MolWeight> (41)
420.3916432

>  <Cat> (41)
S1334

>  <Name> (41)
Flupirtine maleate

>  <Synonyms> (41)
N/A

>  <Target> (41)
DNA/RNA Synthesis

>  <Form> (41)
Maleate

>  <CAS> (41)
75507-68-5

>  <URL> (41)
http://selleckchem.com/products/Flupirtine-maleate.html

$$$$
ON-01910.cdx
csChFnd80/03192410402D

 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> (42)
229

>  <Formula> (42)
C21H24NNaO8S

>  <MolWeight> (42)
473.47193

>  <Cat> (42)
S1362

>  <Name> (42)
Rigosertib (ON-01910)

>  <Synonyms> (42)
N/A

>  <Target> (42)
Akt,Apoptosis related,PI3K,PLK

>  <Form> (42)
Sodium Salt

>  <CAS> (42)
1225497-78-8

>  <URL> (42)
http://selleckchem.com/products/ON-01910.html

$$$$
EpothiloneB.cdx
csChFnd80/03192410402D

 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
    9.8143    1.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    3.9326    0.0000 C   0  0  1  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
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    8.5156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    9.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    9.8471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1573   10.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   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
    7.4929    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2454    0.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5143    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0324    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706    4.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  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
  2 35  1  6  0  0  0
M  END
>  <Mol_ID> (43)
231

>  <Formula> (43)
C27H41NO6S

>  <MolWeight> (43)
507.68254

>  <Cat> (43)
S1364

>  <Name> (43)
Patupilone (Epothilone B)

>  <Synonyms> (43)
EPO906

>  <Target> (43)
Microtubule Associated

>  <Form> (43)
free base

>  <CAS> (43)
152044-54-7

>  <URL> (43)
http://selleckchem.com/products/Epothilone-B.html

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/03192410402D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 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
 13 14  2  0  0  0  0
 14  8  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
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (44)
275

>  <Formula> (44)
C31H31ClFN7O2

>  <MolWeight> (44)
588.0749432

>  <Cat> (44)
S1451

>  <Name> (44)
Aurora A Inhibitor I (TC-S 7010)

>  <Synonyms> (44)
N/A

>  <Target> (44)
Apoptosis related,Aurora Kinase

>  <Form> (44)
free base

>  <CAS> (44)
1158838-45-9

>  <URL> (44)
http://selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/03192410402D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (45)
276

>  <Formula> (45)
C30H33ClN4O2

>  <MolWeight> (45)
517.06162

>  <Cat> (45)
S1452

>  <Name> (45)
Ispinesib (SB-715992)

>  <Synonyms> (45)
CK0238273

>  <Target> (45)
Apoptosis related,Kinesin

>  <Form> (45)
free base

>  <CAS> (45)
336113-53-2

>  <URL> (45)
http://selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

$$$$
PHA-6806320.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (46)
278

>  <Formula> (46)
C28H35N7O2

>  <MolWeight> (46)
501.6232

>  <Cat> (46)
S1454

>  <Name> (46)
PHA-680632

>  <Synonyms> (46)
N/A

>  <Target> (46)
Aurora Kinase

>  <Form> (46)
free base

>  <CAS> (46)
398493-79-3

>  <URL> (46)
http://selleckchem.com/products/PHA-680632.html

$$$$
Thiazovivin.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (47)
281

>  <Formula> (47)
C15H13N5OS

>  <MolWeight> (47)
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>  <Cat> (47)
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>  <Name> (47)
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>  <Synonyms> (47)
N/A

>  <Target> (47)
ROCK

>  <Form> (47)
free base

>  <CAS> (47)
1226056-71-8

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

$$$$
GSK429286A.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (48)
291

>  <Formula> (48)
C21H16F4N4O2

>  <MolWeight> (48)
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>  <Cat> (48)
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GSK429286A

>  <Synonyms> (48)
RHO-15

>  <Target> (48)
ROCK

>  <Form> (48)
free base

>  <CAS> (48)
864082-47-3

>  <URL> (48)
http://selleckchem.com/products/GSK429286A.html

$$$$
HMN-214.cdx
csChFnd80/03192410402D

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   12.0949    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 16 20  1  0  0  0  0
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 16 22  2  0  0  0  0
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 23 24  1  0  0  0  0
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 27 20  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
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M  END
>  <Mol_ID> (49)
299

>  <Formula> (49)
C22H20N2O5S

>  <MolWeight> (49)
424.4696

>  <Cat> (49)
S1485

>  <Name> (49)
HMN-214

>  <Synonyms> (49)
N/A

>  <Target> (49)
PLK

>  <Form> (49)
free base

>  <CAS> (49)
173529-46-9

>  <URL> (49)
http://selleckchem.com/products/HMN-214.html

$$$$
PHA-793887.cdx
csChFnd80/03192410402D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
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  8  5  1  0  0  0  0
  8  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (50)
301

>  <Formula> (50)
C19H31N5O2

>  <MolWeight> (50)
361.48174

>  <Cat> (50)
S1487

>  <Name> (50)
PHA-793887

>  <Synonyms> (50)
N/A

>  <Target> (50)
Apoptosis related,CDK

>  <Form> (50)
free base

>  <CAS> (50)
718630-59-2

>  <URL> (50)
http://selleckchem.com/products/PHA-793887.html

$$$$
Fludarabine.cdx
csChFnd80/03192410402D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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 17 19  1  0  0  0  0
  3 20  1  6  0  0  0
M  END
>  <Mol_ID> (51)
305

>  <Formula> (51)
C10H12FN5O4

>  <MolWeight> (51)
285.2317832

>  <Cat> (51)
S1491

>  <Name> (51)
Fludarabine (NSC 118218)

>  <Synonyms> (51)
FaraA, Fludarabinum, NSC 118218

>  <Target> (51)
Apoptosis related,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite,STAT

>  <Form> (51)
Free Base

>  <CAS> (51)
21679-14-1

>  <URL> (51)
http://selleckchem.com/products/Fludarabine(Fludara).html

$$$$
AT7519.cdx
csChFnd80/03192410402D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (52)
315

>  <Formula> (52)
C16H17Cl2N5O2

>  <MolWeight> (52)
382.24448

>  <Cat> (52)
S1524

>  <Name> (52)
AT7519

>  <Synonyms> (52)
N/A

>  <Target> (52)
Apoptosis related,CDK,GSK-3

>  <Form> (52)
Free Base

>  <CAS> (52)
844442-38-2

>  <URL> (52)
http://selleckchem.com/products/AT7519.html

$$$$
MK-1775.cdx
csChFnd80/03192410402D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
316

>  <Formula> (53)
C27H32N8O2

>  <MolWeight> (53)
500.59538

>  <Cat> (53)
S1525

>  <Name> (53)
Adavosertib (MK-1775)

>  <Synonyms> (53)
AZD1775

>  <Target> (53)
Wee1

>  <Form> (53)
free base

>  <CAS> (53)
955365-80-7

>  <URL> (53)
http://selleckchem.com/products/MK-1775.html

$$$$
Hesperadin .cdx
csChFnd80/03192410402D

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 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (54)
320

>  <Formula> (54)
C29H32N4O3S

>  <MolWeight> (54)
516.65438

>  <Cat> (54)
S1529

>  <Name> (54)
Hesperadin

>  <Synonyms> (54)
N/A

>  <Target> (54)
Aurora Kinase

>  <Form> (54)
free base

>  <CAS> (54)
422513-13-1

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

$$$$
AZD7762.cdx
csChFnd80/03192410402D

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 12  8  2  0  0  0  0
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M  END
>  <Mol_ID> (55)
326

>  <Formula> (55)
C17H19FN4O2S

>  <MolWeight> (55)
362.4217632

>  <Cat> (55)
S1532

>  <Name> (55)
AZD7762

>  <Synonyms> (55)
N/A

>  <Target> (55)
Chk

>  <Form> (55)
free base

>  <CAS> (55)
860352-01-8

>  <URL> (55)
http://selleckchem.com/products/AZD7762.html

$$$$
BS-181.cdx
csChFnd80/03192410402D

 29 30  0  0  0  0  0  0  0  0999 V2000
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  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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M  END
>  <Mol_ID> (56)
347

>  <Formula> (56)
C22H33ClN6

>  <MolWeight> (56)
416.99062

>  <Cat> (56)
S1572

>  <Name> (56)
BS-181 HCl

>  <Synonyms> (56)
N/A

>  <Target> (56)
CDK

>  <Form> (56)
Hydrochloride

>  <CAS> (56)
1397219-81-6

>  <URL> (56)
http://selleckchem.com/products/BS-181.html

$$$$
Fasudil HCl.cdx
csChFnd80/03192410402D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (57)
348

>  <Formula> (57)
C14H18ClN3O2S

>  <MolWeight> (57)
327.82962

>  <Cat> (57)
S1573

>  <Name> (57)
Fasudil (HA-1077) HCl

>  <Synonyms> (57)
AT-877,HA-1077 HCl

>  <Target> (57)
Autophagy,Calcium Channel,MLCK,PKA,PKC,PKG,Rho,ROCK

>  <Form> (57)
Hydrochloride

>  <CAS> (57)
105628-07-7

>  <URL> (57)
http://selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$
SULLA (sulfameter).cdx
csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    3.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3423    3.1182    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
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  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
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (58)
367

>  <Formula> (58)
C11H12N4O3S

>  <MolWeight> (58)
280.30298

>  <Cat> (58)
S1618

>  <Name> (58)
Sulfameter

>  <Synonyms> (58)
N/A

>  <Target> (58)
Bacterial

>  <Form> (58)
free base

>  <CAS> (58)
651-06-9

>  <URL> (58)
http://selleckchem.com/products/Sulfameter(Bayrena).html

$$$$
ALBENZA (albendazole).cdx
csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (59)
380

>  <Formula> (59)
C12H15N3O2S

>  <MolWeight> (59)
265.3314

>  <Cat> (59)
S1640

>  <Name> (59)
Albendazole (SKF-62979)

>  <Synonyms> (59)
SKF-62979

>  <Target> (59)
ADC Cytotoxin,Microtubule Associated

>  <Form> (59)
free base

>  <CAS> (59)
54965-21-8

>  <URL> (59)
http://selleckchem.com/products/Albendazole(Albenza).html

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   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 N   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    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  5  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (60)
413

>  <Formula> (60)
C9H11F2N3O4

>  <MolWeight> (60)
263.1981464

>  <Cat> (60)
S1714

>  <Name> (60)
Gemcitabine (LY-188011)

>  <Synonyms> (60)
LY-188011, NSC 613327

>  <Target> (60)
Apoptosis related,Autophagy,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (60)
Free Base

>  <CAS> (60)
95058-81-4

>  <URL> (60)
http://selleckchem.com/products/Gemcitabine(Gemzar).html

$$$$
IMURAN (azathioprine).cdx
csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7950    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9721    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    7.2210    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4377    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (61)
429

>  <Formula> (61)
C9H7N7O2S

>  <MolWeight> (61)
277.26258

>  <Cat> (61)
S1721

>  <Name> (61)
Azathioprine

>  <Synonyms> (61)
BW 57-322

>  <Target> (61)
Rho

>  <Form> (61)
free base

>  <CAS> (61)
446-86-6

>  <URL> (61)
http://selleckchem.com/products/Azathioprine(Azasan).html

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/03192410402D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2880    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1207    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5533    2.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282    0.1458    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  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 13  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (62)
454

>  <Formula> (62)
C10H11F3N2O5

>  <MolWeight> (62)
296.1999496

>  <Cat> (62)
S1778

>  <Name> (62)
Trifluridine (NSC 75520)

>  <Synonyms> (62)
NSC 529182, NSC 75520, Viroptic, Trifluorothymidine, TFT

>  <Target> (62)
DNA/RNA Synthesis,Thymidylate Synthase

>  <Form> (62)
free base

>  <CAS> (62)
70-00-8

>  <URL> (62)
http://selleckchem.com/products/Trifluridine(Viroptic).html

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/03192410402D

 19 21  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  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
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (63)
456

>  <Formula> (63)
C10H13N5O4

>  <MolWeight> (63)
267.24132

>  <Cat> (63)
S1784

>  <Name> (63)
Vidarabine

>  <Synonyms> (63)
N/A

>  <Target> (63)
DNA/RNA Synthesis

>  <Form> (63)
free base

>  <CAS> (63)
5536-17-4

>  <URL> (63)
http://selleckchem.com/products/Vidarabine(Vira-A).html

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/03192410402D

 57 62  0  0  0  0  0  0  0  0999 V2000
    4.8497    9.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    8.5259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    9.9259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622   10.6259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    9.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 11  1  6  0  0  0
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M  END
>  <Mol_ID> (64)
458

>  <Formula> (64)
C43H51N3O11

>  <MolWeight> (64)
785.87854

>  <Cat> (64)
S1790

>  <Name> (64)
Rifaximin

>  <Synonyms> (64)
N/A

>  <Target> (64)
DNA/RNA Synthesis

>  <Form> (64)
free base

>  <CAS> (64)
80621-81-4

>  <URL> (64)
http://selleckchem.com/products/Rifaximin(Xifaxan).html

$$$$
CEENU (lomustine).cdx
csChFnd80/03192410402D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (65)
472

>  <Formula> (65)
C9H16ClN3O2

>  <MolWeight> (65)
233.69524

>  <Cat> (65)
S1840

>  <Name> (65)
Lomustine

>  <Synonyms> (65)
NSC79037, Gleostine, CeeNU, CCNU

>  <Target> (65)
DNA/RNA Synthesis

>  <Form> (65)
free base

>  <CAS> (65)
13010-47-4

>  <URL> (65)
http://selleckchem.com/products/Lomustine(CeeNU).html

$$$$
MENADIONE (menadione).cdx
csChFnd80/03192410402D

 13 14  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 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (66)
481

>  <Formula> (66)
C11H8O2

>  <MolWeight> (66)
172.18002

>  <Cat> (66)
S1949

>  <Name> (66)
Menadione (NSC 4170)

>  <Synonyms> (66)
Vitamin K3,NSC 4170

>  <Target> (66)
CDK,DNA/RNA Synthesis,phosphatase

>  <Form> (66)
free base

>  <CAS> (66)
58-27-5

>  <URL> (66)
http://selleckchem.com/products/Menadione.html

$$$$
pyrimethamine.cdx
csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  1  0  0  0  0
  5 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
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 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (67)
495

>  <Formula> (67)
C12H13ClN4

>  <MolWeight> (67)
248.71142

>  <Cat> (67)
S2006

>  <Name> (67)
Pyrimethamine

>  <Synonyms> (67)
RP 4753

>  <Target> (67)
DHFR

>  <Form> (67)
free base

>  <CAS> (67)
58-14-0

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

$$$$
Indirubin.cdx
csChFnd80/03192410402D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (68)
522

>  <Formula> (68)
C16H10N2O2

>  <MolWeight> (68)
262.2628

>  <Cat> (68)
S2386

>  <Name> (68)
Indirubin?(NSC 105327)

>  <Synonyms> (68)
NSC 105327

>  <Target> (68)
GSK-3

>  <Form> (68)
free base

>  <CAS> (68)
479-41-4

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

$$$$
PHA-848125.cdx
csChFnd80/03192410402D

 34 38  0  0  0  0  0  0  0  0999 V2000
    4.8387   11.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (69)
540

>  <Formula> (69)
C25H32N8O

>  <MolWeight> (69)
460.57458

>  <Cat> (69)
S2751

>  <Name> (69)
Milciclib (PHA-848125)

>  <Synonyms> (69)
N/A

>  <Target> (69)
Autophagy,CDK

>  <Form> (69)
free base

>  <CAS> (69)
802539-81-7

>  <URL> (69)
http://selleckchem.com/products/pha-848125.html

$$$$
AT13387.cdx
csChFnd80/03192410402D

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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (70)
543

>  <Formula> (70)
C24H31N3O3

>  <MolWeight> (70)
409.52124

>  <Cat> (70)
S1163

>  <Name> (70)
Onalespib (AT13387)

>  <Synonyms> (70)
N/A

>  <Target> (70)
HSP (HSP90)

>  <Form> (70)
free base

>  <CAS> (70)
912999-49-6

>  <URL> (70)
http://selleckchem.com/products/at13387.html

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/03192410402D

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.2929    3.4617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  1  5  2  0  0  0  0
  3  6  2  0  0  0  0
  7  8  1  0  0  0  0
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M  END
>  <Mol_ID> (71)
546

>  <Formula> (71)
C20H20N4O3

>  <MolWeight> (71)
364.3978

>  <Cat> (71)
S1159

>  <Name> (71)
Ganetespib (STA-9090)

>  <Synonyms> (71)
N/A

>  <Target> (71)
Apoptosis related,HSP (HSP90)

>  <Form> (71)
free base

>  <CAS> (71)
888216-25-9

>  <URL> (71)
http://selleckchem.com/products/ganetespib-sta-9090.html

$$$$
KW-2478.cdx
csChFnd80/03192410402D

 41 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (72)
556

>  <Formula> (72)
C30H42N2O9

>  <MolWeight> (72)
574.66248

>  <Cat> (72)
S2685

>  <Name> (72)
KW-2478

>  <Synonyms> (72)
N/A

>  <Target> (72)
HSP (HSP90)

>  <Form> (72)
free base

>  <CAS> (72)
819812-04-9

>  <URL> (72)
http://selleckchem.com/products/kw-2478.html

$$$$
BMS265246.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (73)
571

>  <Formula> (73)
C18H17F2N3O2

>  <MolWeight> (73)
345.3432864

>  <Cat> (73)
S2014

>  <Name> (73)
BMS-265246

>  <Synonyms> (73)
N/A

>  <Target> (73)
CDK

>  <Form> (73)
free base

>  <CAS> (73)
582315-72-8

>  <URL> (73)
http://selleckchem.com/products/bms-265246.html

$$$$
Nocodazole.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (74)
575

>  <Formula> (74)
C14H11N3O3S

>  <MolWeight> (74)
301.32044

>  <Cat> (74)
S2775

>  <Name> (74)
Nocodazole (R17934)

>  <Synonyms> (74)
Oncodazole, NSC238159

>  <Target> (74)
Apoptosis related,Autophagy,Bcr-Abl,CRISPR/Cas9,Microtubule Associated

>  <Form> (74)
free base

>  <CAS> (74)
31430-18-9

>  <URL> (74)
http://selleckchem.com/products/nocodazole.html

$$$$
Cabazitaxel.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (75)
591

>  <Formula> (75)
C45H57NO14

>  <MolWeight> (75)
835.93238

>  <Cat> (75)
S3022

>  <Name> (75)
Cabazitaxel (XRP6258)

>  <Synonyms> (75)
RPR-116258A, TXD 258, Taxoid XRP6258

>  <Target> (75)
Autophagy,Microtubule Associated

>  <Form> (75)
free base

>  <CAS> (75)
183133-96-2

>  <URL> (75)
http://selleckchem.com/products/cabazitaxel-jevtana.html

$$$$
KW2449.cdx
csChFnd80/03192410402D

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648

>  <Formula> (76)
C20H20N4O

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N/A

>  <Target> (76)
Aurora Kinase,Bcr-Abl,FLT3

>  <Form> (76)
free base

>  <CAS> (76)
1000669-72-6

>  <URL> (76)
http://selleckchem.com/products/KW-2449.html

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661

>  <Formula> (77)
C31H34Cl2N2O3

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>  <Cat> (77)
S2182

>  <Name> (77)
SB743921 HCl

>  <Synonyms> (77)
N/A

>  <Target> (77)
Kinesin

>  <Form> (77)
Hydrochloride

>  <CAS> (77)
940929-33-9

>  <URL> (77)
http://selleckchem.com/products/SB-743921.html

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666

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C27H28F3N5O2S

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GSK461364

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GSK461364A

>  <Target> (78)
PLK

>  <Form> (78)
free base

>  <CAS> (78)
929095-18-1

>  <URL> (78)
http://selleckchem.com/products/GSK461364.html

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668

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C24H30N6O2

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Lexibulin (CYT997)

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SRI-32007

>  <Target> (79)
Microtubule Associated

>  <Form> (79)
free base

>  <CAS> (79)
917111-44-5

>  <URL> (79)
http://selleckchem.com/products/CYT997.html

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free base

>  <CAS> (82)
755038-65-4

>  <URL> (82)
http://selleckchem.com/products/BI6727-Volasertib.html

$$$$
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APC,E3 Ligase 

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free base

>  <CAS> (83)
901-47-3

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

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CDK

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free base

>  <CAS> (84)
602306-29-6

>  <URL> (84)
http://selleckchem.com/products/AZD5438.html

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>  <Synonyms> (85)
N/A

>  <Target> (85)
Apoptosis related,Autophagy,Casein Kinase

>  <Form> (85)
free base

>  <CAS> (85)
1009820-21-6

>  <URL> (85)
http://selleckchem.com/products/cx-4945-silmitasertib.html

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Akt,CDK,PKA

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552325-73-2

>  <URL> (86)
http://selleckchem.com/products/a-674563.html

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Chk

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>  <CAS> (87)
405168-58-3

>  <URL> (87)
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CDK

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free base

>  <CAS> (88)
741713-40-6

>  <URL> (88)
http://selleckchem.com/products/r547.html

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SNX-2112 (PF-04928473)

>  <Synonyms> (89)
N/A

>  <Target> (89)
HSP (HSP90)

>  <Form> (89)
free base

>  <CAS> (89)
908112-43-6

>  <URL> (89)
http://selleckchem.com/products/snx-2112.html

$$$$
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>  <Mol_ID> (90)
896

>  <Formula> (90)
C18H22BrN5O3

>  <MolWeight> (90)
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>  <Cat> (90)
S2626

>  <Name> (90)
Rabusertib (LY2603618)

>  <Synonyms> (90)
IC-83

>  <Target> (90)
Apoptosis related,Autophagy,Chk

>  <Form> (90)
free base

>  <CAS> (90)
911222-45-2

>  <URL> (90)
http://selleckchem.com/products/LY2603618-IC-83.html

$$$$
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>  <Mol_ID> (91)
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>  <Synonyms> (91)
N/A

>  <Target> (91)
HSP (HSP90)

>  <Form> (91)
free base

>  <CAS> (91)
908115-27-5

>  <URL> (91)
http://selleckchem.com/products/pf-04929113.html

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>  <Mol_ID> (92)
908

>  <Formula> (92)
C29H40N2O9

>  <MolWeight> (92)
560.6359

>  <Cat> (92)
S2713

>  <Name> (92)
Geldanamycin (NSC 122750)

>  <Synonyms> (92)
NSC 122750

>  <Target> (92)
Antineoplastic and Immunosuppressive Antibiotics,Antiviral,Autophagy,HSP (HSP90)

>  <Form> (92)
free base

>  <CAS> (92)
30562-34-6

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

$$$$
GSK1070916.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (93)
916

>  <Formula> (93)
C30H33N7O

>  <MolWeight> (93)
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>  <Cat> (93)
S2740

>  <Name> (93)
GSK1070916

>  <Synonyms> (93)
N/A

>  <Target> (93)
Aurora Kinase

>  <Form> (93)
free base

>  <CAS> (93)
942918-07-2

>  <URL> (93)
http://selleckchem.com/products/gsk1070916.html

$$$$
AZ3146.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (94)
919

>  <Formula> (94)
C24H32N6O3

>  <MolWeight> (94)
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>  <Cat> (94)
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>  <Name> (94)
AZ 3146

>  <Synonyms> (94)
N/A

>  <Target> (94)
MPS1

>  <Form> (94)
free base

>  <CAS> (94)
1124329-14-1

>  <URL> (94)
http://selleckchem.com/products/az-3146.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (95)
929

>  <Formula> (95)
C21H21Cl2NO5

>  <MolWeight> (95)
438.30114

>  <Cat> (95)
S2679

>  <Name> (95)
Flavopiridol (L86-8275) HCl

>  <Synonyms> (95)
NSC 649890, Alvocidib, HMR-1275, DSP-2033

>  <Target> (95)
Autophagy,CDK,HIV

>  <Form> (95)
Hydrochloride

>  <CAS> (95)
131740-09-5

>  <URL> (95)
http://selleckchem.com/products/flavopiridol-hydrochloride.html

$$$$
SCH727965.cdx
csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.6827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    9.3827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    8.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3894    6.8525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    7.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    9.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.9899    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2704    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206   10.4446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1852   10.7346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2604    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  2  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 18 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (96)
935

>  <Formula> (96)
C21H28N6O2

>  <MolWeight> (96)
396.48602

>  <Cat> (96)
S2768

>  <Name> (96)
Dinaciclib (SCH727965)

>  <Synonyms> (96)
PS-095760

>  <Target> (96)
Caspase,CDK

>  <Form> (96)
free base

>  <CAS> (96)
779353-01-4

>  <URL> (96)
http://selleckchem.com/products/dinaciclib-sch727965.html

$$$$
MK-5108.cdx
csChFnd80/03192410402D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4702    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9074    2.0923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7748    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9903    0.0000 O   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
    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
    2.4207    8.3879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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  8  2  0  0  0  0
  6 13  1  0  0  0  0
 14 13  1  6  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 14  1  0  0  0  0
 14 20  1  1  0  0  0
 17 23  1  6  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 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (97)
936

>  <Formula> (97)
C22H21ClFN3O3S

>  <MolWeight> (97)
461.9368432

>  <Cat> (97)
S2770

>  <Name> (97)
MK-5108 (VX-689)

>  <Synonyms> (97)
N/A

>  <Target> (97)
Aurora Kinase,Autophagy

>  <Form> (97)
free base

>  <CAS> (97)
1010085-13-8

>  <URL> (97)
http://selleckchem.com/products/mk-5108-vx-689.html

$$$$
Adenine hydrochloride.cdx
csChFnd80/03192410402D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9397    1.4097    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (98)
946

>  <Formula> (98)
C5H6ClN5

>  <MolWeight> (98)
171.58764

>  <Cat> (98)
S1983

>  <Name> (98)
Adenine HCl

>  <Synonyms> (98)
6-Aminopurine hydrochloride

>  <Target> (98)
DNA/RNA Synthesis

>  <Form> (98)
Hydrochloride

>  <CAS> (98)
2922-28-3

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

$$$$
Albendazole oxide.cdx
csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9049    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (99)
960

>  <Formula> (99)
C12H15N3O3S

>  <MolWeight> (99)
281.3308

>  <Cat> (99)
S1836

>  <Name> (99)
Albendazole Oxide

>  <Synonyms> (99)
Ricobendazole,Albendazole sulfoxide

>  <Target> (99)
Microtubule Associated

>  <Form> (99)
free base

>  <CAS> (99)
54029-12-8

>  <URL> (99)
http://selleckchem.com/products/albendazole-oxide-ricobendazole.html

$$$$
Uridine.cdx
csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    1.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    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  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  2  0  0  0  0
  9  2  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (100)
968

>  <Formula> (100)
C9H12N2O6

>  <MolWeight> (100)
244.20138

>  <Cat> (100)
S2029

>  <Name> (100)
Uridine

>  <Synonyms> (100)
NSC 20256,¦Â-Uridine, Uridin

>  <Target> (100)
DNA/RNA Synthesis

>  <Form> (100)
free base

>  <CAS> (100)
58-96-8

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

$$$$
Dacarbazine.cdx
csChFnd80/03192410402D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    0.7742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    1.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811    2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.1465    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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M  END
>  <Mol_ID> (101)
1011

>  <Formula> (101)
C6H10N6O

>  <MolWeight> (101)
182.1832

>  <Cat> (101)
S1221

>  <Name> (101)
Dacarbazine (NSC-45388)

>  <Synonyms> (101)
DTIC-Dome, Imidazole Carboxamide,NSC-45388

>  <Target> (101)
Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis

>  <Form> (101)
free base

>  <CAS> (101)
4342-03-4

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

$$$$
PHA.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (102)
1019

>  <Formula> (102)
C12H11N3O

>  <MolWeight> (102)
213.23524

>  <Cat> (102)
S2742

>  <Name> (102)
PHA-767491 HCl

>  <Synonyms> (102)
CAY10572, NMS 1116354

>  <Target> (102)
CDK

>  <Form> (102)
HCl

>  <CAS> (102)
942425-68-5

>  <URL> (102)
http://selleckchem.com/products/pha-767491.html

$$$$
Cyclocytidine hydrochloride.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (103)
1068

>  <Formula> (103)
C9H12ClN3O4

>  <MolWeight> (103)
261.66228

>  <Cat> (103)
S1973

>  <Name> (103)
Cyclocytidine HCl

>  <Synonyms> (103)
NSC 145668 HCl

>  <Target> (103)
DNA/RNA Synthesis

>  <Form> (103)
Hydrochloride

>  <CAS> (103)
10212-25-6

>  <URL> (103)
http://selleckchem.com/products/cyclocytidine-hcl.html

$$$$
PF477736.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (104)
1136

>  <Formula> (104)
C22H25N7O2

>  <MolWeight> (104)
419.4796

>  <Cat> (104)
S2904

>  <Name> (104)
PF-477736

>  <Synonyms> (104)
PF-736, PF-00477736

>  <Target> (104)
Chk

>  <Form> (104)
free base

>  <CAS> (104)
952021-60-2

>  <URL> (104)
http://selleckchem.com/products/pf-477736.html

$$$$
Salubrinal.cdx
csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (105)
1145

>  <Formula> (105)
C21H17Cl3N4OS

>  <MolWeight> (105)
479.80988

>  <Cat> (105)
S2923

>  <Name> (105)
Salubrinal

>  <Synonyms> (105)
N/A

>  <Target> (105)
eIF,PERK

>  <Form> (105)
free base

>  <CAS> (105)
405060-95-9

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

$$$$
MLN0905.cdx
csChFnd80/03192410402D

 34 37  0  0  0  0  0  0  0  0999 V2000
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  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
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 11  5  1  0  0  0  0
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  8 21  2  0  0  0  0
 16 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 22  1  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (106)
1147

>  <Formula> (106)
C24H25F3N6S

>  <MolWeight> (106)
486.5557096

>  <Cat> (106)
S2898

>  <Name> (106)
MLN0905

>  <Synonyms> (106)
N/A

>  <Target> (106)
PLK

>  <Form> (106)
free base

>  <CAS> (106)
1228960-69-7

>  <URL> (106)
http://selleckchem.com/products/mln0905.html

$$$$
Linezolid.cdx
csChFnd80/03192410402D

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   18.1487    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5651    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  1  0  0  0  0
  6 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 30 35  2  0  0  0  0
M  END
>  <Mol_ID> (107)
1162

>  <Formula> (107)
C23H23N7O5

>  <MolWeight> (107)
477.47262

>  <Cat> (107)
S1497

>  <Name> (107)
Pralatrexate (NSC 754230)

>  <Synonyms> (107)
NSC 754230

>  <Target> (107)
Apoptosis related,DHFR

>  <Form> (107)
free base

>  <CAS> (107)
146464-95-1

>  <URL> (107)
http://selleckchem.com/products/Pralatrexate(Folotyn).html

$$$$
Clevudine.cdx
csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   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 N   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
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   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
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    5.8761    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9877    5.5850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9509    6.5186    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    7.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.6465    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  2  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
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10  5  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 14 15  1  6  0  0  0
 13 16  1  1  0  0  0
 12 17  1  6  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (108)
1214

>  <Formula> (108)
C10H13FN2O5

>  <MolWeight> (108)
260.2190232

>  <Cat> (108)
S3001

>  <Name> (108)
Clevudine

>  <Synonyms> (108)
Levovir,L-FMAU

>  <Target> (108)
DNA/RNA Synthesis

>  <Form> (108)
free base

>  <CAS> (108)
163252-36-6

>  <URL> (108)
http://selleckchem.com/products/clevudine-levovir.html

$$$$
Griseofulvin.cdx
csChFnd80/03192410402D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    1.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (109)
1291

>  <Formula> (109)
C17H17ClO6

>  <MolWeight> (109)
352.76628

>  <Cat> (109)
S4071

>  <Name> (109)
Griseofulvin

>  <Synonyms> (109)
N/A

>  <Target> (109)
Microtubule Associated

>  <Form> (109)
free base

>  <CAS> (109)
126-07-8

>  <URL> (109)
http://selleckchem.com/products/griseofulvin.html

$$$$
triclabendazole.cdx
csChFnd80/03192410402D

 21 23  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
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239    2.7951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.7215    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  8 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  8  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (110)
1354

>  <Formula> (110)
C14H9Cl3N2OS

>  <MolWeight> (110)
359.65806

>  <Cat> (110)
S4114

>  <Name> (110)
Triclabendazole

>  <Synonyms> (110)
CGA-89317,tcbz

>  <Target> (110)
Microtubule Associated

>  <Form> (110)
free base

>  <CAS> (110)
68786-66-3

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

$$$$
Bergapten.cdx
csChFnd80/03192410402D

 16 18  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 O   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
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (111)
1362

>  <Formula> (111)
C12H8O4

>  <MolWeight> (111)
216.18952

>  <Cat> (111)
S4239

>  <Name> (111)
Bergapten

>  <Synonyms> (111)
N/A

>  <Target> (111)
DNA/RNA Synthesis

>  <Form> (111)
free base

>  <CAS> (111)
484-20-8

>  <URL> (111)
http://selleckchem.com/products/bergapten.html

$$$$
fidaxomicin.cdx
csChFnd80/03192410402D

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M  CFW  12 B_NG_STER 2
M  END
>  <Mol_ID> (112)
1410

>  <Formula> (112)
C52H74Cl2O18

>  <MolWeight> (112)
1058.03916

>  <Cat> (112)
S4227

>  <Name> (112)
Fidaxomicin

>  <Synonyms> (112)
OPT-80, PAR-101,Dificid

>  <Target> (112)
DNA/RNA Synthesis

>  <Form> (112)
free base

>  <CAS> (112)
873857-62-6

>  <URL> (112)
http://selleckchem.com/products/fidaxomicin.html

$$$$
Rifampin.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (113)
1453

>  <Formula> (113)
C43H58N4O12

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822.94022

>  <Cat> (113)
S1764

>  <Name> (113)
Rifampin (NSC-113926)

>  <Synonyms> (113)
Rimactane, Rifampicin,NSC-113926

>  <Target> (113)
Antibiotics for Plant Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis,Selection Antibiotics for Transfected Cell

>  <Form> (113)
free base

>  <CAS> (113)
13292-46-1

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

$$$$
Rifapentine.cdx
csChFnd80/03192410402D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (114)
1454

>  <Formula> (114)
C47H64N4O12

>  <MolWeight> (114)
877.03066

>  <Cat> (114)
S1760

>  <Name> (114)
Rifapentine

>  <Synonyms> (114)
MDL473

>  <Target> (114)
DNA/RNA Synthesis

>  <Form> (114)
free base

>  <CAS> (114)
61379-65-5

>  <URL> (114)
http://selleckchem.com/products/Rifapentine(Priftin).html

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/03192410402D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
1463

>  <Formula> (115)
C22H29FN3O9P

>  <MolWeight> (115)
529.4525242

>  <Cat> (115)
S2794

>  <Name> (115)
Sofosbuvir (GS-7977)

>  <Synonyms> (115)
PSI-7977

>  <Target> (115)
DNA/RNA Synthesis,HCV Protease

>  <Form> (115)
free base

>  <CAS> (115)
1190307-88-0

>  <URL> (115)
http://selleckchem.com/products/psi-7977-gs-7977.html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/03192410402D

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    4.1711    7.5942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    8.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1017    6.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3233   14.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3233   11.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233   15.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5315   16.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260   10.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.4389    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8371    2.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.4389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9460    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1542    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7831    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5749    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9913    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7831    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3666    3.4903    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  5  1  0  0  0  0
  7 10  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 14  1  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  9 19  1  1  0  0  0
 20 19  1  0  0  0  0
 20 18  1  0  0  0  0
 14 21  1  6  0  0  0
  8 22  1  1  0  0  0
 13 23  1  6  0  0  0
 23 24  1  0  0  0  0
 12 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 11 29  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 11 33  1  1  0  0  0
 34  1  1  6  0  0  0
  2 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  1  0  0  0  0
 34 39  1  1  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40 42  1  0  0  0  0
 38 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 37 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 53 57  1  0  0  0  0
 57 58  1  0  0  0  0
 43 59  1  0  0  0  0
 55 59  1  1  0  0  0
 60 61  1  0  0  0  0
 60 62  1  0  0  0  0
 60 63  2  0  0  0  0
 61 64  1  0  0  0  0
 64 65  1  0  0  0  0
 64 66  1  6  0  0  0
 65 67  1  0  0  0  0
 65 68  2  0  0  0  0
 61 69  1  6  0  0  0
 70 71  1  0  0  0  0
 70 72  1  0  0  0  0
 70 73  2  0  0  0  0
 71 74  1  0  0  0  0
 74 75  1  0  0  0  0
 74 76  1  6  0  0  0
 75 77  1  0  0  0  0
 75 78  2  0  0  0  0
 71 79  1  6  0  0  0
M  END
>  <Mol_ID> (116)
1475

>  <Formula> (116)
C53H66N4O20

>  <MolWeight> (116)
1079.10594

>  <Cat> (116)
S4269

>  <Name> (116)
Vinorelbine ditartrate (KW-2307)

>  <Synonyms> (116)
Nor-5'-anhydrovinblastine ditartrate,KW-2307

>  <Target> (116)
Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (116)
ditartrate

>  <CAS> (116)
125317-39-7

>  <URL> (116)
http://selleckchem.com/products/vinorelbine-tartrate.html

$$$$
Vincristine Sulfate.cdx
csChFnd80/03192410402D

 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
    6.3371    3.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894    3.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0517    5.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0618    6.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9995    3.9626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8635    2.9336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    3.8146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4498    5.1217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4397    6.1116    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8041    7.3590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4214    7.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2024    5.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8378    6.0383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6003    7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9647    8.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5666    8.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2002    4.6860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3038    3.4523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9365    1.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5842    1.1780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9515    2.4146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6525    1.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5162    2.7523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5525    4.3237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7649    2.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9731    4.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8021    4.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1901    5.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1801    6.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229    6.6625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7330    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5105    5.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1582    6.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105    4.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520    9.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    9.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    7.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422   11.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900   11.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6520   10.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0043   10.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2167    9.9100    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.0752    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    7.2901    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5167    8.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167    9.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4175    7.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3167    8.6976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0167    9.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6690    9.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6590   10.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7652    6.0777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8906    8.8479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.1030    9.5479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5383    8.4856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2529    7.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   10.0603    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
  7  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  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 13  1  0  0  0  0
 16 20  1  0  0  0  0
 10 21  1  0  0  0  0
 20 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 10 24  1  1  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 21 29  1  1  0  0  0
 20 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 12 34  1  6  0  0  0
 16 35  1  6  0  0  0
 35 36  1  0  0  0  0
  6 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  1  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 39 42  2  0  0  0  0
 38 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 38  1  0  0  0  0
 44 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 50 45  1  0  0  0  0
 43 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 37 54  1  0  0  0  0
 54 55  1  0  0  0  0
 53 56  1  0  0  0  0
 56 55  1  0  0  0  0
 53 57  1  0  0  0  0
 55 58  1  0  0  0  0
 57 59  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  1  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 55 63  1  6  0  0  0
 64 65  2  0  0  0  0
 64 66  2  0  0  0  0
 64 67  1  0  0  0  0
 64 68  1  0  0  0  0
M  END
>  <Mol_ID> (117)
1479

>  <Formula> (117)
C46H58N4O14S

>  <MolWeight> (117)
923.03612

>  <Cat> (117)
S1241

>  <Name> (117)
Vincristine (NSC-67574) sulfate

>  <Synonyms> (117)
Leurocristine, Oncovin, NSC-67574, 22-Oxovincaleukoblastine

>  <Target> (117)
Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (117)
free base

>  <CAS> (117)
2068-78-2

>  <URL> (117)
http://selleckchem.com/products/Vincristine-Sulfate.html

$$$$
Chloroambucil.cdx
csChFnd80/03192410402D

 19 19  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    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
    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
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Cl  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
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (118)
1490

>  <Formula> (118)
C14H19Cl2NO2

>  <MolWeight> (118)
304.21216

>  <Cat> (118)
S4288

>  <Name> (118)
Chloroambucil

>  <Synonyms> (118)
Chlorambucil,CB-1348,WR-139013

>  <Target> (118)
DNA/RNA Synthesis

>  <Form> (118)
free base

>  <CAS> (118)
305-03-3

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

$$$$
Daptomycin.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (119)
1504

>  <Formula> (119)
C72H101N17O26

>  <MolWeight> (119)
1620.67064

>  <Cat> (119)
S1373

>  <Name> (119)
Daptomycin (LY146032)

>  <Synonyms> (119)
Cubicin,LY146032

>  <Target> (119)
Antibiotics,Antibiotics for Mammalian Cell Culture,Bacterial,DNA/RNA Synthesis

>  <Form> (119)
free base

>  <CAS> (119)
103060-53-3

>  <URL> (119)
http://selleckchem.com/products/Daptomycin.html

$$$$
Mupirocin .cdx
csChFnd80/03192410402D

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    3.2081    3.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.3997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2122    2.0995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    3.4992    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
  6  7  1  1  0  0  0
  1  8  1  1  0  0  0
  5  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 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  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  2 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 28  1  0  0  0  0
  2 31  1  1  0  0  0
 30 32  1  1  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  1  0  0  0
 34 37  1  6  0  0  0
M  END
>  <Mol_ID> (120)
1512

>  <Formula> (120)
C26H44O9

>  <MolWeight> (120)
500.62216

>  <Cat> (120)
S4297

>  <Name> (120)
Mupirocin

>  <Synonyms> (120)
BRL-4910A,Pseudomonic acid

>  <Target> (120)
DNA/RNA Synthesis

>  <Form> (120)
free base

>  <CAS> (120)
12650-69-0

>  <URL> (120)
http://selleckchem.com/products/mupirocin.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/03192410402D

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.5666   10.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   12.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298   13.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   12.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.8564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.6613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   14.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.6637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3842    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1760    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3842    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  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 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
  9 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 14  1  0  0  0  0
 17 20  1  0  0  0  0
 11 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 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 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  6  0  0  0
 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  1  6  0  0  0
M  END
>  <Mol_ID> (121)
1516

>  <Formula> (121)
C25H31N7O6

>  <MolWeight> (121)
525.55694

>  <Cat> (121)
S2018

>  <Name> (121)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (121)
N/A

>  <Target> (121)
Aurora Kinase,FLT3,VEGFR

>  <Form> (121)
free base

>  <CAS> (121)
1291074-87-7

>  <URL> (121)
http://selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
6-Mercaptopurine monohydrate.cdx
csChFnd80/03192410402D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   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
    4.8497    0.7000    0.0000 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4187    1.7570    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  4  7  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (122)
1534

>  <Formula> (122)
C5H6N4OS

>  <MolWeight> (122)
170.19234

>  <Cat> (122)
S4504

>  <Name> (122)
6-Mercaptopurine (6-MP) Monohydrate

>  <Synonyms> (122)
N/A

>  <Target> (122)
DNA/RNA Synthesis

>  <Form> (122)
free base

>  <CAS> (122)
6112-76-1

>  <URL> (122)
http://selleckchem.com/products/6-mercaptopurine-6-mp-monohydrate.html

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  1  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 N   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
    3.6289    4.8927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   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
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 10 11  2  0  0  0  0
  6 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 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 14  1  0  0  0  0
 14 20  1  6  0  0  0
 15 21  1  1  0  0  0
 17 22  1  0  0  0  0
  8 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
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (123)
1536

>  <Formula> (123)
C21H20ClNO5

>  <MolWeight> (123)
401.8402

>  <Cat> (123)
S1230

>  <Name> (123)
Flavopiridol (L86-8275)

>  <Synonyms> (123)
NSC 649890 HCl, HMR-1275, Alvocidib

>  <Target> (123)
Autophagy,CDK,HIV

>  <Form> (123)
Free Base

>  <CAS> (123)
146426-40-6

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

$$$$
Vinblastine sulfate.cdx
csChFnd80/03192410402D

 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
   10.3017    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5141    6.0853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7266    6.7853    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.7165    5.7954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0587    5.1678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688    6.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4311    7.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5041    5.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5141    4.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.9017    6.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6017    5.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3017    5.3853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9017    4.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    8.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    8.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    6.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    6.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    6.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2686    4.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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>  <Mol_ID> (124)
1538

>  <Formula> (124)
C46H60N4O13S

>  <MolWeight> (124)
909.0526

>  <Cat> (124)
S4505

>  <Name> (124)
Vinblastine (NSC-49842) sulfate

>  <Synonyms> (124)
Vincaleukoblastine sulfate salt, 29060-LE, Exal, Velban, Velbe

>  <Target> (124)
AChR,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,Microtubule Associated

>  <Form> (124)
sulfate

>  <CAS> (124)
143-67-9

>  <URL> (124)
http://selleckchem.com/products/vinblastine-sulfate.html

$$$$
S4737 Psoralen.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (125)
1696

>  <Formula> (125)
C11H6O3

>  <MolWeight> (125)
186.16354

>  <Cat> (125)
S4737

>  <Name> (125)
Psoralen

>  <Synonyms> (125)
Psoralene, Ficusin, Furocoumarin

>  <Target> (125)
ADC Cytotoxin,DNA/RNA Synthesis

>  <Form> (125)
free base

>  <CAS> (125)
66-97-7

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

$$$$
S4743 Wogonin.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (126)
1699

>  <Formula> (126)
C16H12O5

>  <MolWeight> (126)
284.26348

>  <Cat> (126)
S4743

>  <Name> (126)
Wogonin

>  <Synonyms> (126)
Vogonin

>  <Target> (126)
CDK,Transferase

>  <Form> (126)
free base

>  <CAS> (126)
632-85-9

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

$$$$
S3725 ELR-510444.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (127)
1766

>  <Formula> (127)
C19H16N2O2S2

>  <MolWeight> (127)
368.47254

>  <Cat> (127)
S3725

>  <Name> (127)
ELR-510444

>  <Synonyms> (127)
N/A

>  <Target> (127)
Microtubule Associated

>  <Form> (127)
free base

>  <CAS> (127)
1233948-35-0

>  <URL> (127)
http://selleckchem.com/products/elr-510444.html

$$$$
Colchicine.cdx
csChFnd80/03192410402D

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  9 30  1  1  0  0  0
M  END
>  <Mol_ID> (128)
1823

>  <Formula> (128)
C22H25NO6

>  <MolWeight> (128)
399.437

>  <Cat> (128)
S2284

>  <Name> (128)
Colchicine (NSC 757)

>  <Synonyms> (128)
Colchineos, Colchisol, Colcin,NSC 757

>  <Target> (128)
Microtubule Associated

>  <Form> (128)
free base

>  <CAS> (128)
64-86-8

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

$$$$
S3817 Harmine hydrochloride.cdx
csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.2770    2.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9751    4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1192    1.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8043    4.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6523    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3108    4.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5318    1.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6181    5.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    3.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1206    3.0422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8917    5.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2070    5.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7130    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  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> (129)
1847

>  <Formula> (129)
C13H13ClN2O

>  <MolWeight> (129)
248.70812

>  <Cat> (129)
S3817

>  <Name> (129)
Harmine hydrochloride

>  <Synonyms> (129)
Telepathine hydrochloride

>  <Target> (129)
5-HT Receptor,ADC Cytotoxin,DYRK,MAO

>  <Form> (129)
hydrochloride

>  <CAS> (129)
343-27-1

>  <URL> (129)
http://selleckchem.com/products/harmine-hydrochloride.html

$$$$
IPA-3.cdx
csChFnd80/03192410402D

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0623    2.1001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9122    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  3 12  2  0  0  0  0
  7 12  1  0  0  0  0
  4 13  1  0  0  0  0
  1  3  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 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
 14 23  2  0  0  0  0
 18 23  1  0  0  0  0
 15 24  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (130)
1970

>  <Formula> (130)
C20H14O2S2

>  <MolWeight> (130)
350.45396

>  <Cat> (130)
S7093

>  <Name> (130)
IPA-3

>  <Synonyms> (130)
N/A

>  <Target> (130)
PAK

>  <Form> (130)
free base

>  <CAS> (130)
42521-82-4

>  <URL> (130)
http://selleckchem.com/products/ipa-3.html

$$$$
10058-F4.cdx
csChFnd80/03192410402D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    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
    0.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    2.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    1.8093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    3.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.0621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1591    1.1669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.1676    0.0000 S   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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7 16  1  0  0  0  0
M  END
>  <Mol_ID> (131)
1976

>  <Formula> (131)
C12H11NOS2

>  <MolWeight> (131)
249.35184

>  <Cat> (131)
S7153

>  <Name> (131)
10058-F4

>  <Synonyms> (131)
N/A

>  <Target> (131)
Apoptosis related,Autophagy,Myc

>  <Form> (131)
free base

>  <CAS> (131)
403811-55-2

>  <URL> (131)
http://selleckchem.com/products/10058-f4.html

$$$$
XL888.cdx
csChFnd80/03192410402D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.2589   10.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0560    9.8845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459   10.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   11.9790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0504   12.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693   11.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   12.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6362   14.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4271   11.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7465   10.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6484    7.1187    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3450    6.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9435    7.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2271    8.4319    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.2675    5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    4.1872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762    3.4893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762    2.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6849    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8979    3.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1108    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1108    5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8979    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6849    5.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4762    6.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    6.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5283    5.5878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    7.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    3.4893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3196    2.0936    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5283    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1108    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
  1 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 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
 28 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 25 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  1  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (132)
1980

>  <Formula> (132)
C29H37N5O3

>  <MolWeight> (132)
503.63578

>  <Cat> (132)
S7122

>  <Name> (132)
XL888

>  <Synonyms> (132)
N/A

>  <Target> (132)
HSP (HSP90)

>  <Form> (132)
free base

>  <CAS> (132)
1149705-71-4

>  <URL> (132)
http://selleckchem.com/products/xl888.html

$$$$
p276-00.cdx
csChFnd80/03192410402D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 25 21  1  0  0  0  0
 22 26  1  1  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
 21 17  1  6  0  0  0
M  END
>  <Mol_ID> (133)
1981

>  <Formula> (133)
C21H21Cl2NO5

>  <MolWeight> (133)
438.30114

>  <Cat> (133)
S8058

>  <Name> (133)
Riviciclib hydrochloride (P276-00)

>  <Synonyms> (133)
N/A

>  <Target> (133)
Apoptosis related,CDK

>  <Form> (133)
hydrochloride

>  <CAS> (133)
920113-03-7

>  <URL> (133)
http://selleckchem.com/products/p276-00.html

$$$$
LY2835219.cdx
csChFnd80/03192410402D

 42 45  0  0  0  0  0  0  0  0999 V2000
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   12.1033   11.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5240   11.4747    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   20.0761   10.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7779   11.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3349    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7349    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7349    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7349    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1349    1.4000    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  2  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  8  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 15  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
 26 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 34 36  1  0  0  0  0
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
M  END
>  <Mol_ID> (134)
1987

>  <Formula> (134)
C28H36F2N8O3S

>  <MolWeight> (134)
602.6990464

>  <Cat> (134)
S7158

>  <Name> (134)
Abemaciclib mesylate (LY2835219)

>  <Synonyms> (134)
N/A

>  <Target> (134)
CDK

>  <Form> (134)
mesylate

>  <CAS> (134)
1231930-82-7

>  <URL> (134)
http://selleckchem.com/products/ly2835219.html

$$$$
NU6027.cdx
csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    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
    4.8413    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 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
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (135)
1989

>  <Formula> (135)
C11H17N5O2

>  <MolWeight> (135)
251.28498

>  <Cat> (135)
S7114

>  <Name> (135)
NU6027

>  <Synonyms> (135)
N/A

>  <Target> (135)
CDK

>  <Form> (135)
free base

>  <CAS> (135)
220036-08-8

>  <URL> (135)
http://selleckchem.com/products/nu6027.html

$$$$
RKI-1447.cdx
csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  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
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (136)
2001

>  <Formula> (136)
C16H14N4O2S

>  <MolWeight> (136)
326.37296

>  <Cat> (136)
S7195

>  <Name> (136)
RKI-1447

>  <Synonyms> (136)
N/A

>  <Target> (136)
ROCK

>  <Form> (136)
free base

>  <CAS> (136)
1342278-01-6

>  <URL> (136)
http://selleckchem.com/products/rki-1447.html

$$$$
4'-Demethylepipodophyllotoxin.cdx
csChFnd80/03192410402D

 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
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    0.0000    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  2  1  0  0  0  0
 10 30  1  1  0  0  0
  8 31  1  1  0  0  0
M  END
>  <Mol_ID> (137)
2016

>  <Formula> (137)
C21H20O8

>  <MolWeight> (137)
400.3787

>  <Cat> (137)
S2254

>  <Name> (137)
4-Demethylepipodophyllotoxin(NSC-122819,VM-26)

>  <Synonyms> (137)
DMEP

>  <Target> (137)
Microtubule Associated

>  <Form> (137)
free base

>  <CAS> (137)
6559-91-7

>  <URL> (137)
http://selleckchem.com/products/4-Demethylepipodophyllotoxin.html

$$$$
S4782 5-methoxyflavone.cdx
csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4261    4.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6397    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (138)
C16H12O3

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>  <Cat> (138)
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>  <Name> (138)
5-methoxyflavone

>  <Synonyms> (138)
N/A

>  <Target> (138)
DNA/RNA Synthesis

>  <Form> (138)
free base

>  <CAS> (138)
42079-78-7

>  <URL> (138)
http://selleckchem.com/products/5-methoxyflavone.html

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>  <Formula> (139)
C25H32N2O6

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>  <Cat> (139)
S3970

>  <Name> (139)
Vindoline

>  <Synonyms> (139)
N/A

>  <Target> (139)
Microtubule Associated

>  <Form> (139)
free base

>  <CAS> (139)
2182-14-1

>  <URL> (139)
http://selleckchem.com/products/vindoline.html

$$$$
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2229

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C19H19ClN6O4S3

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>  <Name> (140)
SNS-314

>  <Synonyms> (140)
N/A

>  <Target> (140)
Aurora Kinase

>  <Form> (140)
Mesylate

>  <CAS> (140)
1057249-41-8

>  <URL> (140)
http://selleckchem.com/products/sns-314-mesylate.html

$$$$
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>  <Mol_ID> (141)
2281

>  <Formula> (141)
C24H38Cl3N7

>  <MolWeight> (141)
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>  <Cat> (141)
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>  <Name> (141)
NSC 23766

>  <Synonyms> (141)
N/A

>  <Target> (141)
Rho

>  <Form> (141)
HCl

>  <CAS> (141)
1177865-17-6

>  <URL> (141)
http://selleckchem.com/products/nsc-23766.html

$$$$

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M  END
>  <Mol_ID> (142)
2321

>  <Formula> (142)
C20H19N5Na2O6

>  <MolWeight> (142)
471.3743

>  <Cat> (142)
S1135

>  <Name> (142)
Pemetrexed (LY-231514) disodium

>  <Synonyms> (142)
LY-231514 disodium

>  <Target> (142)
Apoptosis related,Autophagy,DHFR,DNA/RNA Synthesis,Thymidylate Synthase

>  <Form> (142)
Disodium salt

>  <CAS> (142)
150399-23-8

>  <URL> (142)
http://selleckchem.com/products/Pemetrexed-disodium.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (143)
2322

>  <Formula> (143)
C9H12ClF2N3O4

>  <MolWeight> (143)
299.6590864

>  <Cat> (143)
S1149

>  <Name> (143)
Gemcitabine (LY-188011) HCl

>  <Synonyms> (143)
NSC 613327,LY-188011 HCl

>  <Target> (143)
Autophagy,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (143)
Hydrochloride

>  <CAS> (143)
122111-03-9

>  <URL> (143)
http://selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
Bleomycin sulfate.cdx
csChFnd80/03192410402D

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100102  2  0  0  0  0
 25 23  1  6  0  0  0
M  END
>  <Mol_ID> (144)
2325

>  <Formula> (144)
C55H85N17O25S4

>  <MolWeight> (144)
1512.6223

>  <Cat> (144)
S1214

>  <Name> (144)
Bleomycin (NSC125066) sulfate

>  <Synonyms> (144)
Blenoxane,NSC125066

>  <Target> (144)
Antineoplastic and Immunosuppressive Antibiotics,DNA/RNA Synthesis,Selection Antibiotics for Transfected Cell

>  <Form> (144)
Sulfate

>  <CAS> (144)
9041-93-4

>  <URL> (144)
http://www.selleckchem.com/products/Bleomycin-sulfate.html

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/03192410402D

 15 13  0  0  0  0  0  0  0  0999 V2000
    7.6418    1.5200    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    8.4646    0.3874    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7961    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7961    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    2.6527    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9248    3.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (145)
2327

>  <Formula> (145)
C8H14N2O4Pt

>  <MolWeight> (145)
397.28576

>  <Cat> (145)
S1224

>  <Name> (145)
Oxaliplatin (NSC 266046)

>  <Synonyms> (145)
L-OHP, Eloxatin,NSC 266046

>  <Target> (145)
Autophagy,DNA alkylator,DNA/RNA Synthesis

>  <Form> (145)
free base

>  <CAS> (145)
61825-94-3

>  <URL> (145)
http://selleckchem.com/products/Eloxatin.html

$$$$
Mizoribine.cdx
csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1414    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7891    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0266    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9077    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2147    1.8493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2256    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334    2.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3847    1.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5779    3.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4594    6.0252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1524    5.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0779    2.4606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7337    5.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3670    6.2533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4935    3.8401    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
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  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  3  7  1  1  0  0  0
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  4  9  1  6  0  0  0
  5 10  1  6  0  0  0
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (146)
2343

>  <Formula> (146)
C9H13N3O6

>  <MolWeight> (146)
259.21602

>  <Cat> (146)
S1384

>  <Name> (146)
Mizoribine

>  <Synonyms> (146)
Bredinin, NSC 289637,HE 69

>  <Target> (146)
DNA/RNA Synthesis,HCV

>  <Form> (146)
free base

>  <CAS> (146)
50924-49-7

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

$$$$
Cidofovir .cdx
csChFnd80/03192410402D

 18 18  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 N   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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    4.1927    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (147)
2352

>  <Formula> (147)
C8H14N3O6P

>  <MolWeight> (147)
279.187021

>  <Cat> (147)
S1516

>  <Name> (147)
Cidofovir

>  <Synonyms> (147)
HPMPC,Vistide,GS 0504

>  <Target> (147)
CMV,DNA/RNA Synthesis

>  <Form> (147)
Free Base

>  <CAS> (147)
113852-37-2

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

$$$$
CCT129202.cdx
csChFnd80/03192410402D

 34 38  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 N   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
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3778    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    8.5184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    9.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   10.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  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  5  1  0  0  0  0
  1 10  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
M  END
>  <Mol_ID> (148)
2354

>  <Formula> (148)
C23H25ClN8OS

>  <MolWeight> (148)
497.0156

>  <Cat> (148)
S1519

>  <Name> (148)
CCT129202

>  <Synonyms> (148)
N/A

>  <Target> (148)
Aurora Kinase

>  <Form> (148)
Free Base

>  <CAS> (148)
942947-93-5

>  <URL> (148)
http://selleckchem.com/products/CCT129202.html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    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  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  2  0  0  0  0
  5  8  1  0  0  0  0
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 13  9  1  0  0  0  0
  9  2  1  1  0  0  0
 11 14  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (149)
2362

>  <Formula> (149)
C9H13N3O5

>  <MolWeight> (149)
243.21662

>  <Cat> (149)
S1648

>  <Name> (149)
Cytarabine (U-19920A)

>  <Synonyms> (149)
Cytarabin,Ara-C,Arabinofuranosyl Cytidine,Cytosine ¦Â-D-arabinofuranoside,Cytosine arabinoside,NSC 63878,NSC 287459,U-19920A

>  <Target> (149)
Apoptosis related,Autophagy,DNA/RNA Synthesis,Nucleoside Analog/Antimetabolite

>  <Form> (149)
free base

>  <CAS> (149)
147-94-4

>  <URL> (149)
http://selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
SCH 900776.cdx
csChFnd80/03192410402D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.9324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3573    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    4.1976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8538    8.3645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    8.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5274    6.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870    7.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    7.1786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9579    5.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7461    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  1  0  0  0  0
  7  3  1  6  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17  1  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (150)
2398

>  <Formula> (150)
C15H18BrN7

>  <MolWeight> (150)
376.25432

>  <Cat> (150)
S2735

>  <Name> (150)
MK-8776 (SCH 900776)

>  <Synonyms> (150)
N/A

>  <Target> (150)
CDK,Chk

>  <Form> (150)
Free Base

>  <CAS> (150)
891494-63-6

>  <URL> (150)
http://selleckchem.com/products/sch-900776.html

$$$$
Adenine sulfate.cdx
csChFnd80/03192410402D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.7058    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0262    8.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    7.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8176    6.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    5.5071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620    5.7737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3823    6.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620    8.0318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    9.6938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347    0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347    2.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    2.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8176    0.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262   -0.0751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620    0.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5620    2.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0262    4.1116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
  8 15  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
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 17  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (151)
2399

>  <Formula> (151)
C10H12N10O4S

>  <MolWeight> (151)
368.33188

>  <Cat> (151)
S1982

>  <Name> (151)
Adenine sulfate

>  <Synonyms> (151)
Adenine hemisulfate

>  <Target> (151)
DNA/RNA Synthesis

>  <Form> (151)
Sulfate

>  <CAS> (151)
321-30-2

>  <URL> (151)
http://selleckchem.com/products/adenine-sulfate.html

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/03192410402D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1328    2.2829    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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  1  7  1  0  0  0  0
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  4 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
M  END
>  <Mol_ID> (152)
2402

>  <Formula> (152)
C12H20ClN3O

>  <MolWeight> (152)
257.7597

>  <Cat> (152)
S1995

>  <Name> (152)
Procarbazine HCl

>  <Synonyms> (152)
NSC-77213 HCl

>  <Target> (152)
DNA/RNA Synthesis

>  <Form> (152)
Hydrochloride

>  <CAS> (152)
366-70-1

>  <URL> (152)
http://selleckchem.com/products/procarbazine-hydrochloride-matulane.html

$$$$
CCT137690.cdx
csChFnd80/03192410402D

 36 41  0  0  0  0  0  0  0  0999 V2000
    2.2115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    2.7976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1859    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6364    6.2951    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
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  1 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 28 23  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (153)
2415

>  <Formula> (153)
C26H31BrN8O

>  <MolWeight> (153)
551.48134

>  <Cat> (153)
S2744

>  <Name> (153)
CCT137690

>  <Synonyms> (153)
N/A

>  <Target> (153)
Aurora Kinase

>  <Form> (153)
Free Base

>  <CAS> (153)
1095382-05-0

>  <URL> (153)
http://selleckchem.com/products/cct137690.html

$$$$
BI-847325.cdx
csChFnd80/03192410402D

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.2436    4.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 26  2  0  0  0  0
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 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 18  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
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (154)
2435

>  <Formula> (154)
C29H28N4O2

>  <MolWeight> (154)
464.55822

>  <Cat> (154)
S7843

>  <Name> (154)
BI-847325

>  <Synonyms> (154)
N/A

>  <Target> (154)
Aurora Kinase,MEK

>  <Form> (154)
free base

>  <CAS> (154)
1207293-36-4

>  <URL> (154)
http://selleckchem.com/products/bi-847325.html

$$$$
Bromodeoxyuridine.cdx
csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.3020    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6161    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0951    1.9127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4611    2.2286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    1.9127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6161    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    3.3127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374    4.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374    5.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    6.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    5.4127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6126    4.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8250    7.5127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499    6.1127    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043    3.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  1  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  2  0  0  0  0
M  CFW   0 BOND_GSTEREO 5
M  END
>  <Mol_ID> (155)
2466

>  <Formula> (155)
C9H11BrN2O5

>  <MolWeight> (155)
307.09804

>  <Cat> (155)
S7918

>  <Name> (155)
Bromodeoxyuridine (BrdU)

>  <Synonyms> (155)
5-Bromo-2'-deoxyuridine, BUdR

>  <Target> (155)
DNA/RNA Synthesis

>  <Form> (155)
free base

>  <CAS> (155)
59-14-3

>  <URL> (155)
http://selleckchem.com/products/bromodeoxyuridine-brdu.html

$$$$
MMAE.cdx
csChFnd80/03192410402D

 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
   10.8867    5.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7540    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    2.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867    2.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2317    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4442    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6566    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8690    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0815    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2939    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.5063    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2317    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4442    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4442    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0092    3.2101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6566    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0815    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2939    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0815    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0815    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2939    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5063    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6742    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    6.4229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2494    7.1229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    4.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.4253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    8.5180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    9.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    9.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    8.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411   10.6108    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2494   11.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329   11.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576   10.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494   12.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   10.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   11.3083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6247    9.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   12.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   13.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.2156    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  1  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
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  6  0  0  0
 13 14  1  0  0  0  0
  7 15  1  6  0  0  0
  1 16  1  1  0  0  0
  8 17  2  0  0  0  0
 10 18  1  6  0  0  0
 11 19  1  1  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
  2 25  1  0  0  0  0
 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> (156)
2474

>  <Formula> (156)
C39H67N5O7

>  <MolWeight> (156)
717.97858

>  <Cat> (156)
S7721

>  <Name> (156)
Monomethyl auristatin E (MMAE)

>  <Synonyms> (156)
SGD-1010

>  <Target> (156)
ADC Cytotoxin,Microtubule Associated

>  <Form> (156)
free base

>  <CAS> (156)
474645-27-7

>  <URL> (156)
http://selleckchem.com/products/monomethyl-auristatin-e-mmae.html

$$$$

csChFnd80/03192410402D

 29 28  0  0  0  0  0  0  0  0999 V2000
    3.3123    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123    3.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4194    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3509    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1219    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146    7.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1194    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.1386    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4248    1.6509    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5193    1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193    2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5169    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    2.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3265    3.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6240    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5193    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7264    3.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3240    5.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195    5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    2.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7239    5.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1921    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.5334    0.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (157)
2562

>  <Formula> (157)
C18H19Na2O8P

>  <MolWeight> (157)
440.291961

>  <Cat> (157)
S7204

>  <Name> (157)
Fosbretabulin (Combretastatin A4 Phosphate (CA4P)) Disodium

>  <Synonyms> (157)
CA 4DP

>  <Target> (157)
Apoptosis related,Microtubule Associated

>  <Form> (157)
Disodium salt

>  <CAS> (157)
168555-66-6

>  <URL> (157)
http://selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-disodium-ca4p-disodium.html

$$$$
EHop-016.cdx
csChFnd80/03192410402D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    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
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0931    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0931    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6626    1.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0549    0.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8778    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3084    3.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9160    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5258    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6165    7.0287    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
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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N/A

>  <Target> (158)
Rho

>  <Form> (158)
free base

>  <CAS> (158)
1380432-32-5

>  <URL> (158)
http://selleckchem.com/products/ehop-016.html

$$$$
GSK2606414.cdx
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2652

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C24H20F3N5O

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451.4437096

>  <Cat> (159)
S7307

>  <Name> (159)
GSK2606414

>  <Synonyms> (159)
N/A

>  <Target> (159)
Apoptosis related,Autophagy,PERK

>  <Form> (159)
free base

>  <CAS> (159)
1337531-36-8

>  <URL> (159)
http://selleckchem.com/products/gsk2606414.html

$$$$
ZCL 278.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (160)
2654

>  <Formula> (160)
C21H19BrClN5O4S2

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584.89366

>  <Cat> (160)
S7293

>  <Name> (160)
ZCL278

>  <Synonyms> (160)
N/A

>  <Target> (160)
Rho

>  <Form> (160)
free base

>  <CAS> (160)
587841-73-4

>  <URL> (160)
http://selleckchem.com/products/zcl278.html

$$$$
AZ191.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (161)
2657

>  <Formula> (161)
C24H27N7O

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N/A

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DYRK

>  <Form> (161)
free base

>  <CAS> (161)
1594092-37-1

>  <URL> (161)
http://selleckchem.com/products/az191.html

$$$$
TG003.cdx
csChFnd80/03192410402D

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N/A

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DYRK

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free base

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147591-46-6

>  <URL> (163)
http://selleckchem.com/products/id-8.html

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>  <Synonyms> (164)
N/A

>  <Target> (164)
Apoptosis related,Autophagy,PERK

>  <Form> (164)
free base

>  <CAS> (164)
1337532-29-2

>  <URL> (164)
http://selleckchem.com/products/gsk2656157.html

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N/A

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Aurora Kinase

>  <Form> (165)
free base

>  <CAS> (165)
885325-71-3

>  <URL> (165)
http://selleckchem.com/products/mk-8745.html

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CDK

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free base

>  <CAS> (166)
1211441-98-3

>  <URL> (166)
http://selleckchem.com/products/lee011.html

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Microtubule Associated

>  <Form> (167)
free base

>  <CAS> (167)
1594094-64-0

>  <URL> (167)
http://selleckchem.com/products/cw069.html

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csChFnd80/03192410402D

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PTC-209

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N/A

>  <Target> (168)
BMI-1

>  <Form> (168)
Free Base

>  <CAS> (168)
315704-66-6

>  <URL> (168)
http://selleckchem.com/products/ptc-209.html

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csChFnd80/03192410402D

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>  <Formula> (169)
C16H16N2OS

>  <MolWeight> (169)
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>  <Name> (169)
CK-636

>  <Synonyms> (169)
CK-0944636

>  <Target> (169)
Actin,Microtubule Associated

>  <Form> (169)
free base

>  <CAS> (169)
442632-72-6

>  <URL> (169)
http://selleckchem.com/products/ck-636.html

$$$$
LM-3264 Triapine.cdx
csChFnd80/03192410402D

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>  <Formula> (170)
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Triapine

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3-AP

>  <Target> (170)
DNA/RNA Synthesis,RNR

>  <Form> (170)
free base

>  <CAS> (170)
200933-27-3

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

$$$$
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csChFnd80/03192410402D

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>  <Mol_ID> (171)
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>  <Formula> (171)
C9H6N2O4

>  <MolWeight> (171)
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>  <Cat> (171)
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>  <Name> (171)
CRT0044876

>  <Synonyms> (171)
NSC 69877,7-NO2-ICA

>  <Target> (171)
DNA/RNA Synthesis

>  <Form> (171)
free base

>  <CAS> (171)
6960-45-8

>  <URL> (171)
http://selleckchem.com/products/crt0044876.html

$$$$
ISRIB (trans-isomer).cdx
csChFnd80/03192410402D

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>  <Cat> (172)
S7400

>  <Name> (172)
ISRIB (trans-isomer)

>  <Synonyms> (172)
N/A

>  <Target> (172)
PERK

>  <Form> (172)
Free Base

>  <CAS> (172)
1597403-47-8

>  <URL> (172)
http://selleckchem.com/products/isrib-trans-isomer.html

$$$$
ML167.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (173)
2718

>  <Formula> (173)
C19H17N3O3

>  <MolWeight> (173)
335.35658

>  <Cat> (173)
S7509

>  <Name> (173)
ML167

>  <Synonyms> (173)
CID 44968231

>  <Target> (173)
CDK

>  <Form> (173)
free base

>  <CAS> (173)
1285702-20-6

>  <URL> (173)
http://selleckchem.com/products/ml167.html

$$$$
VER-49009.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (174)
2720

>  <Formula> (174)
C19H18ClN3O4

>  <MolWeight> (174)
387.81692

>  <Cat> (174)
S7458

>  <Name> (174)
VER-49009

>  <Synonyms> (174)
CCT0129397

>  <Target> (174)
HSP (HSP90)

>  <Form> (174)
free base

>  <CAS> (174)
940289-57-6

>  <URL> (174)
http://selleckchem.com/products/ver-49009.html

$$$$
K-Ras(G12C) inhibitor 6.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (175)
2722

>  <Formula> (175)
C17H22Cl2N2O3S

>  <MolWeight> (175)
405.33918

>  <Cat> (175)
S7333

>  <Name> (175)
K-Ras(G12C) inhibitor 6

>  <Synonyms> (175)
N/A

>  <Target> (175)
Ras

>  <Form> (175)
free base

>  <CAS> (175)
2060530-16-5

>  <URL> (175)
http://selleckchem.com/products/k-ras-g12c-inhibitor-6.html

$$$$
PU-H71.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (176)
2730

>  <Formula> (176)
C18H21IN6O2S

>  <MolWeight> (176)
512.36781

>  <Cat> (176)
S8039

>  <Name> (176)
Zelavespib (PU-H71)

>  <Synonyms> (176)
NSC 750424

>  <Target> (176)
HSP (HSP90)

>  <Form> (176)
free base

>  <CAS> (176)
873436-91-0

>  <URL> (176)
http://selleckchem.com/products/pu-h71.html

$$$$
NMS-E973.cdx
csChFnd80/03192410402D

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1253584-84-7

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free base

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1246529-32-7

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http://selleckchem.com/products/mpi-0479605.html

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free base

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1088965-37-0

>  <URL> (179)
http://selleckchem.com/products/gsk923295.html

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free base

>  <CAS> (180)
959763-06-5

>  <URL> (180)
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2754

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C19H17ClN2O5

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VER-50589

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N/A

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HSP (HSP90)

>  <Form> (181)
free base

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747413-08-7

>  <URL> (181)
http://selleckchem.com/products/ver-50589.html

$$$$
INH1.cdx
csChFnd80/03192410402D

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2760

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C18H16N2OS

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308.39744

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INH1

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>  <Target> (182)
Microtubule Associated

>  <Form> (182)
free base

>  <CAS> (182)
313553-47-8

>  <URL> (182)
http://selleckchem.com/products/inh1.html

$$$$
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>  <Mol_ID> (183)
2761

>  <Formula> (183)
C17H14Br3N5OS

>  <MolWeight> (183)
576.10296

>  <Cat> (183)
S7539

>  <Name> (183)
PTC-209 HBr

>  <Synonyms> (183)
N/A

>  <Target> (183)
BMI-1

>  <Form> (183)
free base

>  <CAS> (183)
1217022-63-3

>  <URL> (183)
http://selleckchem.com/products/ptc-209-hbr.html

$$$$
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>  <Formula> (184)
C25H29Cl2F3N2O4S

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>  <Name> (184)
EHT 1864 2HCl

>  <Synonyms> (184)
N/A

>  <Target> (184)
Rho

>  <Form> (184)
dihydrochloride

>  <CAS> (184)
754240-09-0

>  <URL> (184)
http://selleckchem.com/products/eht-1864.html

$$$$
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M  END
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2765

>  <Formula> (185)
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LDC067

>  <Target> (185)
CDK

>  <Form> (185)
free base

>  <CAS> (185)
1073485-20-7

>  <URL> (185)
http://selleckchem.com/products/ldc000067.html

$$$$
INH6.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (186)
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>  <Formula> (186)
C19H18N2OS

>  <MolWeight> (186)
322.42402

>  <Cat> (186)
S7494

>  <Name> (186)
INH6

>  <Synonyms> (186)
N/A

>  <Target> (186)
Microtubule Associated

>  <Form> (186)
free base

>  <CAS> (186)
1001753-24-7

>  <URL> (186)
http://selleckchem.com/products/inh6.html

$$$$
PF-3758309.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (187)
2777

>  <Formula> (187)
C25H30N8OS

>  <MolWeight> (187)
490.6237

>  <Cat> (187)
S7094

>  <Name> (187)
PF-3758309

>  <Synonyms> (187)
PF-03758309

>  <Target> (187)
Apoptosis related,PAK

>  <Form> (187)
free base

>  <CAS> (187)
898044-15-0

>  <URL> (187)
http://selleckchem.com/products/pf-3758309.html

$$$$
BAY57-1293.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (188)
2783

>  <Formula> (188)
C18H18N4O3S2

>  <MolWeight> (188)
402.49052

>  <Cat> (188)
S7546

>  <Name> (188)
Pritelivir (BAY 57-1293)

>  <Synonyms> (188)
AIC316

>  <Target> (188)
DNA/RNA Synthesis,HSV

>  <Form> (188)
free base

>  <CAS> (188)
348086-71-5

>  <URL> (188)
http://selleckchem.com/products/bay-57-1293.html

$$$$
BMS863233.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (189)
2784

>  <Formula> (189)
C14H13Cl2N3O2

>  <MolWeight> (189)
326.17792

>  <Cat> (189)
S7547

>  <Name> (189)
XL413 (BMS-863233)

>  <Synonyms> (189)
N/A

>  <Target> (189)
CDK

>  <Form> (189)
free base

>  <CAS> (189)
1169562-71-3

>  <URL> (189)
http://selleckchem.com/products/xl413-bms-863233.html

$$$$
K-Ras(G12C) inhibitor 9.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (190)
2795

>  <Formula> (190)
C16H21ClIN3O4S

>  <MolWeight> (190)
513.77811

>  <Cat> (190)
S7332

>  <Name> (190)
K-Ras(G12C) inhibitor 9

>  <Synonyms> (190)
N/A

>  <Target> (190)
Ras

>  <Form> (190)
free base

>  <CAS> (190)
1469337-91-4

>  <URL> (190)
http://selleckchem.com/products/k-ras-g12c-inhibitor9.html

$$$$
NVP-HSP990(HSP990) .cdx
csChFnd80/03192410402D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  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
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.7000    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
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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 16  8  1  1  0  0  0
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M  END
>  <Mol_ID> (191)
2809

>  <Formula> (191)
C20H18FN5O2

>  <MolWeight> (191)
379.3876232

>  <Cat> (191)
S7097

>  <Name> (191)
HSP990 (NVP-HSP990)

>  <Synonyms> (191)
N/A

>  <Target> (191)
Apoptosis related,HSP (HSP90)

>  <Form> (191)
free base

>  <CAS> (191)
934343-74-5

>  <URL> (191)
http://selleckchem.com/products/hsp990-nvp-hsp990.html

$$$$
6H05.cdx
csChFnd80/03192410402D

 36 36  0  0  0  0  0  0  0  0999 V2000
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    0.0000    5.3193    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    3.2193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1865    4.6193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (192)
2815

>  <Formula> (192)
C22H31ClF3N3O4S3

>  <MolWeight> (192)
590.1424496

>  <Cat> (192)
S7330

>  <Name> (192)
6H05

>  <Synonyms> (192)
N/A

>  <Target> (192)
Ras

>  <Form> (192)
free base

>  <CAS> (192)
2061344-88-3

>  <URL> (192)
http://selleckchem.com/products/6h05.html

$$$$
NMS-P937.cdx
csChFnd80/03192410402D

 38 42  0  0  0  0  0  0  0  0999 V2000
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 24  7  1  0  0  0  0
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M  END
>  <Mol_ID> (193)
2816

>  <Formula> (193)
C24H27F3N8O3

>  <MolWeight> (193)
532.5181896

>  <Cat> (193)
S7255

>  <Name> (193)
Onvansertib (NMS-P937)

>  <Synonyms> (193)
PCM-075, NMS1286937

>  <Target> (193)
Apoptosis related,PLK

>  <Form> (193)
free base

>  <CAS> (193)
1034616-18-6

>  <URL> (193)
http://selleckchem.com/products/nms-p937-nms1286937.html

$$$$
ARQ 621.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (194)
2817

>  <Formula> (194)
C28H24Cl2FN5O2

>  <MolWeight> (194)
552.4268632

>  <Cat> (194)
S7355

>  <Name> (194)
ARQ 621

>  <Synonyms> (194)
N/A

>  <Target> (194)
Kinesin

>  <Form> (194)
free base

>  <CAS> (194)
1095253-39-6

>  <URL> (194)
http://selleckchem.com/products/arq-621.html

$$$$
K-Ras(G12C) inhibitor 12.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (195)
2829

>  <Formula> (195)
C15H17ClIN3O3

>  <MolWeight> (195)
449.67125

>  <Cat> (195)
S7331

>  <Name> (195)
K-Ras(G12C) inhibitor 12

>  <Synonyms> (195)
N/A

>  <Target> (195)
Ras

>  <Form> (195)
free base

>  <CAS> (195)
1469337-95-8

>  <URL> (195)
http://selleckchem.com/products/k-ras-g12c-inhibitor-12.html

$$$$
Ro5203280.cdx
csChFnd80/03192410402D

 39 43  0  0  0  0  0  0  0  0999 V2000
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 24 10  1  0  0  0  0
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 39 35  1  0  0  0  0
M  END
>  <Mol_ID> (196)
2854

>  <Formula> (196)
C27H35F2N7O3

>  <MolWeight> (196)
543.6087064

>  <Cat> (196)
S7248

>  <Name> (196)
Ro3280

>  <Synonyms> (196)
Ro5203280

>  <Target> (196)
PLK

>  <Form> (196)
free base

>  <CAS> (196)
1062243-51-9

>  <URL> (196)
http://selleckchem.com/products/ro3280.html

$$$$
Blasticidin S hydrochloride.cdx
csChFnd80/03192410402D

 31 31  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.3171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7617    6.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (197)
2859

>  <Formula> (197)
C17H27ClN8O5

>  <MolWeight> (197)
458.89988

>  <Cat> (197)
S7419

>  <Name> (197)
Blasticidin S HCl

>  <Synonyms> (197)
N/A

>  <Target> (197)
Antibiotics,DNA/RNA Synthesis,Selection Antibiotics for Transfected Cell

>  <Form> (197)
hydrochloride salt

>  <CAS> (197)
3513-03-9

>  <URL> (197)
http://selleckchem.com/products/blasticidin-s-hcl.html

$$$$
ML141.cdx
csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.0496    5.5159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (198)
2879

>  <Formula> (198)
C22H21N3O3S

>  <MolWeight> (198)
407.48544

>  <Cat> (198)
S7686

>  <Name> (198)
ML141

>  <Synonyms> (198)
CID-2950007

>  <Target> (198)
Apoptosis related,p38 MAPK,Rho

>  <Form> (198)
free base

>  <CAS> (198)
71203-35-5

>  <URL> (198)
http://selleckchem.com/products/ml141.html

$$$$
YK-4-279.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (199)
2883

>  <Formula> (199)
C17H13Cl2NO4

>  <MolWeight> (199)
366.19542

>  <Cat> (199)
S7679

>  <Name> (199)
YK-4-279

>  <Synonyms> (199)
N/A

>  <Target> (199)
DNA/RNA Synthesis

>  <Form> (199)
free base

>  <CAS> (199)
1037184-44-3

>  <URL> (199)
http://selleckchem.com/products/yk-4-279.html

$$$$
Reversine.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (200)
2884

>  <Formula> (200)
C21H27N7O

>  <MolWeight> (200)
393.48538

>  <Cat> (200)
S7588

>  <Name> (200)
Reversine

>  <Synonyms> (200)
N/A

>  <Target> (200)
Adenosine Receptor,Aurora Kinase

>  <Form> (200)
free base

>  <CAS> (200)
656820-32-5

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

$$$$
SU 9516.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (201)
2886

>  <Formula> (201)
C13H11N3O2

>  <MolWeight> (201)
241.24534

>  <Cat> (201)
S7636

>  <Name> (201)
SU9516

>  <Synonyms> (201)
N/A

>  <Target> (201)
CDK

>  <Form> (201)
free base

>  <CAS> (201)
377090-84-1

>  <URL> (201)
http://selleckchem.com/products/su9516.html

$$$$
AT13148.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (202)
2888

>  <Formula> (202)
C17H16ClN3O

>  <MolWeight> (202)
313.78144

>  <Cat> (202)
S7563

>  <Name> (202)
AT13148

>  <Synonyms> (202)
N/A

>  <Target> (202)
Akt,PKA,ROCK,S6 Kinase

>  <Form> (202)
free base

>  <CAS> (202)
1056901-62-2

>  <URL> (202)
http://selleckchem.com/products/at13148.html

$$$$
BMH-21.cdx
csChFnd80/03192410402D

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   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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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  3 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (203)
2891

>  <Formula> (203)
C21H20N4O2

>  <MolWeight> (203)
360.4091

>  <Cat> (203)
S7718

>  <Name> (203)
BMH-21

>  <Synonyms> (203)
N/A

>  <Target> (203)
DNA/RNA Synthesis

>  <Form> (203)
free base

>  <CAS> (203)
896705-16-1

>  <URL> (203)
http://selleckchem.com/products/bmh-21.html

$$$$
TAI-1.cdx
csChFnd80/03192410402D

 31 34  0  0  0  0  0  0  0  0999 V2000
    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
    2.4249    0.0000    0.0000 C   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9784    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2152    4.4834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    3.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0541    0.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2693    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8388    0.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2311    0.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0540    1.4066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4846    2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0922    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  2  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
  7 31  1  0  0  0  0
M  END
>  <Mol_ID> (204)
2894

>  <Formula> (204)
C24H21N3O3S

>  <MolWeight> (204)
431.50684

>  <Cat> (204)
S7495

>  <Name> (204)
TAI-1

>  <Synonyms> (204)
N/A

>  <Target> (204)
Microtubule Associated

>  <Form> (204)
free base

>  <CAS> (204)
1334921-03-7

>  <URL> (204)
http://selleckchem.com/products/tai-1.html

$$$$
SBE 13 hydrochloride.cdx
csChFnd80/03192410402D

 32 33  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   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
    2.4249    0.0000    0.0000 C   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
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    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3990    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 13 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
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (205)
2910

>  <Formula> (205)
C24H28Cl2N2O4

>  <MolWeight> (205)
479.39612

>  <Cat> (205)
S7720

>  <Name> (205)
SBE 13 HCl

>  <Synonyms> (205)
N/A

>  <Target> (205)
PLK

>  <Form> (205)
hydrochloride

>  <CAS> (205)
1052532-15-6

>  <URL> (205)
http://selleckchem.com/products/sbe-13-hcl.html

$$$$
Salirasib.cdx
csChFnd80/03192410402D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 10 22  1  0  0  0  0
 14 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  CFW  17 B_NG_STER 1
M  END
>  <Mol_ID> (206)
2912

>  <Formula> (206)
C22H30O2S

>  <MolWeight> (206)
358.5374

>  <Cat> (206)
S7684

>  <Name> (206)
Salirasib

>  <Synonyms> (206)
Farnesylthiosalicylic acid, FTS

>  <Target> (206)
Autophagy,PPMTase,Ras

>  <Form> (206)
free base

>  <CAS> (206)
162520-00-5

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

$$$$
CCG-1423.cdx
csChFnd80/03192410402D

 30 31  0  0  0  0  0  0  0  0999 V2000
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    4.8493    2.7910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5903    4.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988    4.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9176    0.8156    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3370    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5176    3.2404    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    6.2636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Formula> (207)
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Rho

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free base

>  <CAS> (207)
285986-88-1

>  <URL> (207)
http://selleckchem.com/products/ccg-1423.html

$$$$
BQU57.cdx
csChFnd80/03192410402D

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2930

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BQU57

>  <Synonyms> (208)
N/A

>  <Target> (208)
Ras

>  <Form> (208)
free base

>  <CAS> (208)
1637739-82-2

>  <URL> (208)
http://selleckchem.com/products/bqu57.html

$$$$
Docetaxel Trihydrate.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (209)
2934

>  <Formula> (209)
C43H59NO17

>  <MolWeight> (209)
861.92506

>  <Cat> (209)
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>  <Name> (209)
Docetaxel Trihydrate

>  <Synonyms> (209)
RP56976 (NSC 628503) Trihydrate

>  <Target> (209)
Microtubule Associated

>  <Form> (209)
Trihydrate

>  <CAS> (209)
148408-66-6

>  <URL> (209)
http://selleckchem.com/products/docetaxel-trihydrate.html

$$$$
Pemetrexed disodium hydrate.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (210)
2935

>  <Formula> (210)
C20H19N5Na2O6R

>  <MolWeight> (210)
471.3743

>  <Cat> (210)
S7785

>  <Name> (210)
Pemetrexed Disodium Hydrate

>  <Synonyms> (210)
LY-231514 Disodium Hydrate

>  <Target> (210)
Apoptosis related,Autophagy,DHFR

>  <Form> (210)
Disodium Hydrate

>  <CAS> (210)
357166-30-4

>  <URL> (210)
http://selleckchem.com/products/pemetrexed-disodium-hydrate.html

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (211)
2944

>  <Formula> (211)
C24H30ClN7O2

>  <MolWeight> (211)
483.9937

>  <Cat> (211)
S1116

>  <Name> (211)
Palbociclib (PD-0332991) HCl

>  <Synonyms> (211)
N/A

>  <Target> (211)
CDK

>  <Form> (211)
Hydrochloride

>  <CAS> (211)
827022-32-2

>  <URL> (211)
http://selleckchem.com/products/PD-0332991.html

$$$$
PF-00080665.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (212)
2945

>  <Formula> (212)
C26H35N7O6S

>  <MolWeight> (212)
573.6644

>  <Cat> (212)
S1579

>  <Name> (212)
Palbociclib (PD0332991) Isethionate

>  <Synonyms> (212)
N/A

>  <Target> (212)
CDK

>  <Form> (212)
Isethionate

>  <CAS> (212)
827022-33-3

>  <URL> (212)
http://selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

$$$$
FRAX597.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (213)
2949

>  <Formula> (213)
C29H28ClN7OS

>  <MolWeight> (213)
558.09692

>  <Cat> (213)
S7271

>  <Name> (213)
FRAX597

>  <Synonyms> (213)
N/A

>  <Target> (213)
PAK

>  <Form> (213)
free base

>  <CAS> (213)
1286739-19-2

>  <URL> (213)
http://selleckchem.com/products/frax597.html

$$$$
Combretastatin A4.cdx
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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
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
>  <Mol_ID> (214)
2950

>  <Formula> (214)
C18H20O5

>  <MolWeight> (214)
316.3484

>  <Cat> (214)
S7783

>  <Name> (214)
Combretastatin A4

>  <Synonyms> (214)
N/A

>  <Target> (214)
Microtubule Associated

>  <Form> (214)
free base

>  <CAS> (214)
117048-59-6

>  <URL> (214)
http://selleckchem.com/products/combretastatin-a4.html

$$$$
Ro-3306.cdx
csChFnd80/03192410402D

 24 27  0  0  0  0  0  0  0  0999 V2000
    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 N   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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.7038    6.4306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    8.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    9.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    7.3246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8558    8.4573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2482    8.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9482    7.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3176    7.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4639    8.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1850    9.3513    0.0000 S   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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  1  2  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  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  2  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (215)
2952

>  <Formula> (215)
C18H13N3OS2

>  <MolWeight> (215)
351.44532

>  <Cat> (215)
S7747

>  <Name> (215)
Ro-3306

>  <Synonyms> (215)
N/A

>  <Target> (215)
Apoptosis related,Bcl-2,CDK

>  <Form> (215)
free base

>  <CAS> (215)
872573-93-8

>  <URL> (215)
http://selleckchem.com/products/ro-3306.html

$$$$
Purvalanol A.cdx
csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.6371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1019    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8045    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9045    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  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (216)
2963

>  <Formula> (216)
C19H25ClN6O

>  <MolWeight> (216)
388.8944

>  <Cat> (216)
S7793

>  <Name> (216)
Purvalanol A

>  <Synonyms> (216)
N/A

>  <Target> (216)
Apoptosis related,Autophagy,CDK

>  <Form> (216)
free base

>  <CAS> (216)
212844-53-6

>  <URL> (216)
http://selleckchem.com/products/purvalanol-a.html

$$$$
KNK437.cdx
csChFnd80/03192410402D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1917    2.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0108    1.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3437    2.0880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    3.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0184    3.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5737    0.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4735    1.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7544    1.8265    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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (217)
2972

>  <Formula> (217)
C13H11NO4

>  <MolWeight> (217)
245.23074

>  <Cat> (217)
S7750

>  <Name> (217)
KNK437

>  <Synonyms> (217)
N/A

>  <Target> (217)
HSP (HSP90)

>  <Form> (217)
free base

>  <CAS> (217)
218924-25-5

>  <URL> (217)
http://selleckchem.com/products/knk437.html

$$$$
D 4476.cdx
csChFnd80/03192410402D

 30 34  0  0  0  0  0  0  0  0999 V2000
    4.9171    5.7977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3204    4.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7200    4.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1818    5.7479    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0675    6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0983    7.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3258    8.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3566   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1599   10.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9323   10.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016    8.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1906   12.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9939   12.9206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4182   12.8673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    3.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5178    3.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9204    2.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7182    0.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  5  1  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  2 15  1  0  0  0  0
  3 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
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 15 22  2  0  0  0  0
 22 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 15  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
 30 24  1  0  0  0  0
M  END
>  <Mol_ID> (218)
2974

>  <Formula> (218)
C23H18N4O3

>  <MolWeight> (218)
398.41402

>  <Cat> (218)
S7642

>  <Name> (218)
D 4476

>  <Synonyms> (218)
N/A

>  <Target> (218)
Casein Kinase

>  <Form> (218)
free base

>  <CAS> (218)
301836-43-1

>  <URL> (218)
http://selleckchem.com/products/d-4476.html

$$$$
AT7519 HCl.cdx
csChFnd80/03192410402D

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6447    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0746    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (219)
2977

>  <Formula> (219)
C16H18Cl3N5O2

>  <MolWeight> (219)
418.70542

>  <Cat> (219)
S7808

>  <Name> (219)
AT7519 HCl

>  <Synonyms> (219)
N/A

>  <Target> (219)
CDK

>  <Form> (219)
Hydrochloride

>  <CAS> (219)
902135-91-5

>  <URL> (219)
http://selleckchem.com/products/at7519-hcl.html

$$$$
VER155008.cdx
csChFnd80/03192410402D

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    1.2124    7.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5792    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9016    2.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7689    3.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    2.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1805    2.9655    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
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 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
 21  7  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 25 21  1  0  0  0  0
 22 26  1  1  0  0  0
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M  END
>  <Mol_ID> (220)
2978

>  <Formula> (220)
C25H23Cl2N7O4

>  <MolWeight> (220)
556.40062

>  <Cat> (220)
S7751

>  <Name> (220)
VER155008

>  <Synonyms> (220)
C07

>  <Target> (220)
Autophagy,HSP (HSP90)

>  <Form> (220)
free base

>  <CAS> (220)
1134156-31-2

>  <URL> (220)
http://selleckchem.com/products/ver155008.html

$$$$
Pyridostatin.cdx
csChFnd80/03192410402D

 51 54  0  0  0  0  0  0  0  0999 V2000
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    8.3894    2.4183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2902    6.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2902    8.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4861    3.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5793    4.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3266    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6320    6.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4480    2.5696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 37  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 30  1  0  0  0  0
 31 41  1  0  0  0  0
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 43 44  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 48  1  0  0  0  0
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 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END
>  <Mol_ID> (221)
2980

>  <Formula> (221)
C33H33F3N8O7

>  <MolWeight> (221)
710.6597296

>  <Cat> (221)
S7444

>  <Name> (221)
Pyridostatin (RR82) Trifluoroacetate Salt

>  <Synonyms> (221)
N/A

>  <Target> (221)
G-quadruplex

>  <Form> (221)
trifluoroacetat

>  <CAS> (221)
1472611-44-1

>  <URL> (221)
http://selleckchem.com/products/pyridostatin-trifluoroacetate-salt.html

$$$$
E3330.cdx
csChFnd80/03192410402D

 27 27  0  0  0  0  0  0  0  0999 V2000
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    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  1  0  0  0  0
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  3  8  2  0  0  0  0
  1  9  1  0  0  0  0
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  2 11  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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M  END
>  <Mol_ID> (222)
2992

>  <Formula> (222)
C21H30O6

>  <MolWeight> (222)
378.4593

>  <Cat> (222)
S7445

>  <Name> (222)
APX-3330

>  <Synonyms> (222)
E3330

>  <Target> (222)
DNA/RNA Synthesis,NF-¦ÊB

>  <Form> (222)
free base

>  <CAS> (222)
136164-66-4

>  <URL> (222)
http://selleckchem.com/products/e3330.html

$$$$
T-705 (Favipiravir).cdx
csChFnd80/03192410402D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 N   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
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   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
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (223)
2996

>  <Formula> (223)
C5H4FN3O2

>  <MolWeight> (223)
157.1025632

>  <Cat> (223)
S7975

>  <Name> (223)
Favipiravir (T-705)

>  <Synonyms> (223)
N/A

>  <Target> (223)
COVID-19,DNA/RNA Synthesis,Influenza Virus

>  <Form> (223)
free base

>  <CAS> (223)
259793-96-9

>  <URL> (223)
http://selleckchem.com/products/favipiravir-t-705.html

$$$$
6-Thio-dG.cdx
csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0897    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    2.5997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4145    1.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8126    1.1741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3143    2.4812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2263    3.3622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6666    2.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6565    1.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750    0.0000    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  4  9  1  0  0  0  0
 12  9  1  6  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 12  1  0  0  0  0
 15 17  1  6  0  0  0
 17 18  1  0  0  0  0
 14 19  1  1  0  0  0
M  END
>  <Mol_ID> (224)
3012

>  <Formula> (224)
C10H13N5O3S

>  <MolWeight> (224)
283.30692

>  <Cat> (224)
S7757

>  <Name> (224)
6-Thio-dG

>  <Synonyms> (224)
¦Â-TGdR

>  <Target> (224)
DNA/RNA Synthesis

>  <Form> (224)
free base

>  <CAS> (224)
789-61-7

>  <URL> (224)
http://selleckchem.com/products/6-thio-dg.html

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/03192410402D

 25 24  0  0  0  0  0  0  0  0999 V2000
    9.9244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1369    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9617    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5617    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    6.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1346    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2617    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8617    8.6669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9889    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3004    6.2074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2058    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9497    3.4494    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   26.6369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.6369    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
M  END
>  <Mol_ID> (225)
3040

>  <Formula> (225)
C15H23ClFN3O4S

>  <MolWeight> (225)
395.8772232

>  <Cat> (225)
S7995

>  <Name> (225)
Ripasudil (K-115) hydrochloride dihydrate

>  <Synonyms> (225)
N/A

>  <Target> (225)
ROCK

>  <Form> (225)
Hydrochloride dihydrate

>  <CAS> (225)
887375-67-9

>  <URL> (225)
http://selleckchem.com/products/ripasudil-k-115.html

$$$$
K03861.cdx
csChFnd80/03192410402D

 36 39  0  0  0  0  0  0  0  0999 V2000
    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 N   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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   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
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   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
   14.5492    0.0000    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
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 N   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
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    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
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 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
 26 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
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 23 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (226)
3042

>  <Formula> (226)
C24H26F3N7O2

>  <MolWeight> (226)
501.5041496

>  <Cat> (226)
S8100

>  <Name> (226)
K03861

>  <Synonyms> (226)
AUZ 454£¬AUZ454

>  <Target> (226)
CDK

>  <Form> (226)
free base

>  <CAS> (226)
853299-07-7

>  <URL> (226)
http://selleckchem.com/products/k03861.html

$$$$
Cucurbitacin B.cdx
csChFnd80/03192410402D

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0387    7.1765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.9573    4.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3267    5.2196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5247    3.5971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4210    2.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (227)
3047

>  <Formula> (227)
C32H46O8

>  <MolWeight> (227)
558.70284

>  <Cat> (227)
S8165

>  <Name> (227)
Cucurbitacin B

>  <Synonyms> (227)
N/A

>  <Target> (227)
Microtubule Associated

>  <Form> (227)
free base

>  <CAS> (227)
6199-67-3

>  <URL> (227)
http://selleckchem.com/products/cucurbitacin-b.html

$$$$
KD025 (SLx-2119).cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (228)
3051

>  <Formula> (228)
C26H24N6O2

>  <MolWeight> (228)
452.50776

>  <Cat> (228)
S7936

>  <Name> (228)
Belumosudil (KD025)

>  <Synonyms> (228)
SLx-2119

>  <Target> (228)
ROCK

>  <Form> (228)
free base

>  <CAS> (228)
911417-87-3

>  <URL> (228)
http://selleckchem.com/products/kd025-(slx-2119).html

$$$$
ON123300.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (229)
3071

>  <Formula> (229)
C24H27N7O

>  <MolWeight> (229)
429.51748

>  <Cat> (229)
S8161

>  <Name> (229)
ON123300

>  <Synonyms> (229)
N/A

>  <Target> (229)
AMPK,CDK,c-RET,FGFR,PDGFR,Src

>  <Form> (229)
free base

>  <CAS> (229)
1357470-29-1

>  <URL> (229)
http://selleckchem.com/products/on123300.html

$$$$
Kenpaullone.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (230)
3077

>  <Formula> (230)
C16H11BrN2O

>  <MolWeight> (230)
327.17534

>  <Cat> (230)
S7917

>  <Name> (230)
Kenpaullone

>  <Synonyms> (230)
9-Bromopaullone, NSC-664704

>  <Target> (230)
CDK

>  <Form> (230)
free base

>  <CAS> (230)
142273-20-9

>  <URL> (230)
http://selleckchem.com/products/kenpaullone.html

$$$$
Halofuginone.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (231)
3088

>  <Formula> (231)
C16H17BrClN3O3

>  <MolWeight> (231)
414.68148

>  <Cat> (231)
S8144

>  <Name> (231)
Halofuginone

>  <Synonyms> (231)
RU-19110

>  <Target> (231)
DNA/RNA Synthesis,TGF-beta/Smad

>  <Form> (231)
free base

>  <CAS> (231)
55837-20-2

>  <URL> (231)
http://selleckchem.com/products/halofuginone.html

$$$$
PD0166285.cdx
csChFnd80/03192410402D

 35 38  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 Cl  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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 14 15  2  0  0  0  0
 13 16  1  0  0  0  0
 11 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 12  1  0  0  0  0
 19 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  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (232)
3097

>  <Formula> (232)
C26H27Cl2N5O2

>  <MolWeight> (232)
512.43088

>  <Cat> (232)
S8148

>  <Name> (232)
PD0166285

>  <Synonyms> (232)
N/A

>  <Target> (232)
Apoptosis related,Chk,Wee1

>  <Form> (232)
free base

>  <CAS> (232)
185039-89-8

>  <URL> (232)
http://selleckchem.com/products/pd0166285.html

$$$$

csChFnd80/03192410402D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  4 26  1  0  0  0  0
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  5 23  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 19  2  0  0  0  0
  9 11  2  0  0  0  0
  9 18  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 21  1  0  0  0  0
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 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (233)
3107

>  <Formula> (233)
C22H20N4O

>  <MolWeight> (233)
356.4204

>  <Cat> (233)
S1058

>  <Name> (233)
BI-1347

>  <Synonyms> (233)
N/A

>  <Target> (233)
CDK

>  <Form> (233)
Free Base

>  <CAS> (233)
2163056-91-3

>  <URL> (233)
http://www.selleck.cn/products/bi-1347.html

$$$$
SCR7.cdx
csChFnd80/03192410402D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    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  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 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 10 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 11  1  0  0  0  0
 22 23  2  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (234)
3112

>  <Formula> (234)
C18H12N4OS

>  <MolWeight> (234)
332.37908

>  <Cat> (234)
S7742

>  <Name> (234)
SCR7

>  <Synonyms> (234)
N/A

>  <Target> (234)
CRISPR/Cas9,DNA/RNA Synthesis

>  <Form> (234)
free base

>  <CAS> (234)
14892-97-8

>  <URL> (234)
http://selleckchem.com/products/scr7.html

$$$$
IC261.cdx
csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    6.0622    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
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 18 14  1  0  0  0  0
 15 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 16  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <Mol_ID> (235)
3123

>  <Formula> (235)
C18H17NO4

>  <MolWeight> (235)
311.33188

>  <Cat> (235)
S8237

>  <Name> (235)
IC261

>  <Synonyms> (235)
SU-5607

>  <Target> (235)
Casein Kinase

>  <Form> (235)
free base

>  <CAS> (235)
186611-52-9

>  <URL> (235)
http://selleckchem.com/products/ic261.html

$$$$
Tubercidin.cdx
csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2566    6.3643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    4.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6831    6.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    7.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    4.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8375    5.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    6.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686    8.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9442    0.9250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2989    0.9250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
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 14 15  1  0  0  0  0
 15 11  1  1  0  0  0
 12 16  1  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
  7 13  1  0  0  0  0
 18 19  1  0  0  0  0
M  CFW  11 BOND_GSTEREO 5
M  END
>  <Mol_ID> (236)
3142

>  <Formula> (236)
C11H14N4O4

>  <MolWeight> (236)
266.25326

>  <Cat> (236)
S8095

>  <Name> (236)
Tubercidin

>  <Synonyms> (236)
7-deaza-adenosine

>  <Target> (236)
DNA/RNA Synthesis,Fungal

>  <Form> (236)
free base

>  <CAS> (236)
69-33-0

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

$$$$
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Ras

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free base

>  <CAS> (237)
436133-68-5

>  <URL> (237)
http://selleckchem.com/products/kobe0065.html

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TRx0237 (LMTX) mesylate

>  <Synonyms> (238)
Hydromethylthionine mesylate

>  <Target> (238)
Microtubule Associated

>  <Form> (238)
Dimesylate

>  <CAS> (238)
1236208-20-0

>  <URL> (238)
http://selleckchem.com/products/trx0237-lmtx-mesylate.html

$$$$
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Saccharin 1-methylimidazole (SMI)

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N/A

>  <Target> (239)
DNA/RNA Synthesis

>  <Form> (239)
free base

>  <CAS> (239)
482333-74-4

>  <URL> (239)
http://selleckchem.com/products/saccharin-1-methylimidazole-smi.html

$$$$
FRAX486.cdx
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PAK

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free base

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1232030-35-1

>  <URL> (240)
http://selleckchem.com/products/frax486.html

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M  END
>  <Mol_ID> (241)
3201

>  <Formula> (241)
C23H20N6O3

>  <MolWeight> (241)
428.4433

>  <Cat> (241)
S8246

>  <Name> (241)
RK-33

>  <Synonyms> (241)
N/A

>  <Target> (241)
Apoptosis related,DNA/RNA Synthesis

>  <Form> (241)
free base

>  <CAS> (241)
1070773-09-9

>  <URL> (241)
http://selleckchem.com/products/rk-33.html

$$$$
CeMMEC13.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (242)
3204

>  <Formula> (242)
C19H16N2O4

>  <MolWeight> (242)
336.34134

>  <Cat> (242)
S8329

>  <Name> (242)
CeMMEC13

>  <Synonyms> (242)
N/A

>  <Target> (242)
DNA/RNA Synthesis

>  <Form> (242)
free base

>  <CAS> (242)
1790895-25-8

>  <URL> (242)
http://selleckchem.com/products/cemmec13.html

$$$$
GSK269962.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (243)
3237

>  <Formula> (243)
C29H31ClN8O5

>  <MolWeight> (243)
607.06004

>  <Cat> (243)
S7687

>  <Name> (243)
GSK269962A HCl

>  <Synonyms> (243)
GSK269962B, GSK269962, GSK 269962

>  <Target> (243)
ROCK

>  <Form> (243)
hydrochloride

>  <CAS> (243)
2095432-71-4

>  <URL> (243)
http://selleckchem.com/products/gsk269962.html

$$$$
Rbin-1.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (244)
3241

>  <Formula> (244)
C13H12N4S

>  <MolWeight> (244)
256.32618

>  <Cat> (244)
S8376

>  <Name> (244)
Rbin-1

>  <Synonyms> (244)
Ribozinoindole-1

>  <Target> (244)
DNA/RNA Synthesis

>  <Form> (244)
free base

>  <CAS> (244)
328023-11-6

>  <URL> (244)
http://selleckchem.com/products/rbin-1.html

$$$$
Apoptozole.cdx
csChFnd80/03192410402D

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   10.6304    3.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7365    3.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9162    4.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3777    1.4072    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
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 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  6  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  8 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  8  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 10 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 10  1  0  0  0  0
  9 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  9  1  0  0  0  0
 34 42  1  0  0  0  0
 42 43  1  0  0  0  0
 39 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  END
>  <Mol_ID> (245)
3262

>  <Formula> (245)
C33H25F6N3O3

>  <MolWeight> (245)
625.5603192

>  <Cat> (245)
S8365

>  <Name> (245)
Apoptozole

>  <Synonyms> (245)
Apoptosis Activator VII

>  <Target> (245)
Apoptosis related,HSP (HSP90)

>  <Form> (245)
free base

>  <CAS> (245)
1054543-47-3

>  <URL> (245)
http://selleckchem.com/products/apoptozole.html

$$$$
Y-39983 HCl.cdx
csChFnd80/03192410402D

 24 24  0  0  0  0  0  0  0  0999 V2000
    9.6794    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6794    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8919    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6390    3.2632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2085    1.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6008    2.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3168    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5292    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7416    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9541    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1665    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9541    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3789    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.5914    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5914    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   28.4575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
M  END
>  <Mol_ID> (246)
3264

>  <Formula> (246)
C16H18Cl2N4O

>  <MolWeight> (246)
353.24632

>  <Cat> (246)
S7935

>  <Name> (246)
Y-39983 HCl

>  <Synonyms> (246)
Y-33075 HCl

>  <Target> (246)
ROCK

>  <Form> (246)
dihydrochloride

>  <CAS> (246)
173897-44-4

>  <URL> (246)
http://selleckchem.com/products/y-39983-hcl.html

$$$$
CeMMEC1.cdx
csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   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
    0.0000    2.1000    0.0000 O   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
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    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    4.2000    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
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   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600    0.9183    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  1  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  7 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  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
 20 21  2  0  0  0  0
 21 16  1  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
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (247)
3267

>  <Formula> (247)
C19H17ClN2O4

>  <MolWeight> (247)
372.80228

>  <Cat> (247)
S8328

>  <Name> (247)
CeMMEC1 HCl

>  <Synonyms> (247)
N/A

>  <Target> (247)
DNA/RNA Synthesis

>  <Form> (247)
hydrochloride

>  <CAS> (247)
2095432-53-2

>  <URL> (247)
http://selleckchem.com/products/cemmec1.html

$$$$
ZINC00881524 (ROCK inhibitor).cdx
csChFnd80/03192410402D

 27 30  0  0  0  0  0  0  0  0999 V2000
   11.4619    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    7.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743   10.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    7.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619    5.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6743    5.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8972    7.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1347    6.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0157    5.3689    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366    6.3836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1010    5.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8635    3.9620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029    5.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    3.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693    3.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337    2.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7962    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1942    1.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    2.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6356    2.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    0.0733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (248)
3268

>  <Formula> (248)
C21H20N2O3S

>  <MolWeight> (248)
380.4601

>  <Cat> (248)
S8448

>  <Name> (248)
ZINC00881524 (ROCK inhibitor)

>  <Synonyms> (248)
N/A

>  <Target> (248)
ROCK

>  <Form> (248)
free base

>  <CAS> (248)
557782-81-7

>  <URL> (248)
http://selleckchem.com/products/zinc00881524-rock-inhibitor.html

$$$$
THZ1.cdx
csChFnd80/03192410402D

 43 45  0  0  0  0  0  0  0  0999 V2000
   19.0276   16.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6653   15.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6552   14.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0075   14.4904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3699   15.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3799   16.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3130   14.7556    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   22.7222   16.2050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.7121   15.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3498   13.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3397   12.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6920   13.2352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0544   14.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0644   15.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9774   11.5205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9673   10.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6050    9.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3196   10.8929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2941   12.7804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9871   12.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0604   10.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4127   10.5183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1752   11.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7397   12.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5656   12.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6388   10.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8862   10.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2527    8.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8903    7.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8803    6.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2326    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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THZ1 2HCl

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CDK

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dihydrochloride

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2095433-94-4

>  <URL> (249)
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(¡À)-Monastrol

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Kinesin

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free base

>  <CAS> (250)
329689-23-8

>  <URL> (250)
http://selleckchem.com/products/monastrol.html

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KRIBB11.cdx
csChFnd80/03192410402D

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KRIBB11

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N/A

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Apoptosis related,HSP (HSP90)

>  <Form> (251)
free base

>  <CAS> (251)
342639-96-7

>  <URL> (251)
http://selleckchem.com/products/kribb11.html

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C19H19ClN6O

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SAR-020106

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N/A

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Chk

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free base

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1184843-57-9

>  <URL> (252)
http://selleckchem.com/products/sar-020106.html

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1619903-54-6

>  <URL> (253)
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$$$$
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>  <Mol_ID> (254)
3308

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C27H24F5N5O3

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S8215

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BAY 1217389

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N/A

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MPS1

>  <Form> (254)
free base

>  <CAS> (254)
1554458-53-5

>  <URL> (254)
http://selleckchem.com/products/bay-1217389.html

$$$$
LDC4297 (LDC044297).cdx
csChFnd80/03192410402D

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>  <Mol_ID> (255)
3312

>  <Formula> (255)
C23H28N8O

>  <MolWeight> (255)
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>  <Cat> (255)
S7992

>  <Name> (255)
LDC4297 (LDC044297)

>  <Synonyms> (255)
N/A

>  <Target> (255)
CDK

>  <Form> (255)
free base

>  <CAS> (255)
1453834-21-3

>  <URL> (255)
http://selleckchem.com/products/ldc4297-ldc044297.html

$$$$
Hydroxyfasudil (HA-1100).cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (256)
3320

>  <Formula> (256)
C14H18ClN3O3RS

>  <MolWeight> (256)
343.82902

>  <Cat> (256)
S8208

>  <Name> (256)
Hydroxyfasudil (HA-1100) HCl

>  <Synonyms> (256)
N/A

>  <Target> (256)
ROCK

>  <Form> (256)
hydrochloride

>  <CAS> (256)
155558-32-0 (HCl salt)

>  <URL> (256)
http://selleckchem.com/products/hydroxyfasudil-ha-1100.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (257)
3321

>  <Formula> (257)
C21H18F3N5O

>  <MolWeight> (257)
413.3957296

>  <Cat> (257)
S2931

>  <Name> (257)
Aurora Kinase Inhibitor III

>  <Synonyms> (257)
N/A

>  <Target> (257)
Aurora Kinase

>  <Form> (257)
Free Base

>  <CAS> (257)
879127-16-9

>  <URL> (257)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

$$$$
B02.cdx
csChFnd80/03192410402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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DNA/RNA Synthesis

>  <Form> (258)
free base

>  <CAS> (258)
1290541-46-6

>  <URL> (258)
http://selleckchem.com/products/b02.html

$$$$
10074-G5.cdx
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>  <Mol_ID> (259)
3332

>  <Formula> (259)
C18H12N4O3

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10074-G5

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N/A

>  <Target> (259)
Myc

>  <Form> (259)
free base

>  <CAS> (259)
413611-93-5

>  <URL> (259)
http://selleckchem.com/products/10074-g5.html

$$$$
GSK180736A.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (260)
3338

>  <Formula> (260)
C19H16FN5O2

>  <MolWeight> (260)
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>  <Cat> (260)
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>  <Name> (260)
GSK180736A (GSK180736)

>  <Synonyms> (260)
N/A

>  <Target> (260)
GRK

>  <Form> (260)
free base

>  <CAS> (260)
817194-38-0

>  <URL> (260)
http://selleckchem.com/products/gsk180736a.html

$$$$
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>  <Mol_ID> (261)
3344

>  <Formula> (261)
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CFI-400945

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>  <Target> (261)
PLK

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free base

>  <CAS> (261)
1338806-73-7

>  <URL> (261)
http://selleckchem.com/products/cfi-400945.html

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>  <Mol_ID> (262)
3352

>  <Formula> (262)
C29H34Cl2F6N8O12

>  <MolWeight> (262)
871.5230792

>  <Cat> (262)
S8539

>  <Name> (262)
TAS-102

>  <Synonyms> (262)
Trifluridine-Tipiracil Hydrochloride Mixture

>  <Target> (262)
DNA/RNA Synthesis,Thymidylate Synthase

>  <Form> (262)
hydrochloride

>  <CAS> (262)
733030-01-8

>  <URL> (262)
http://selleckchem.com/products/tas-102.html

$$$$
ARS-853.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (263)
3353

>  <Formula> (263)
C22H29ClN4O3

>  <MolWeight> (263)
432.94366

>  <Cat> (263)
S8156

>  <Name> (263)
ARS-853 (ARS853)

>  <Synonyms> (263)
N/A

>  <Target> (263)
Apoptosis related,Ras

>  <Form> (263)
free base

>  <CAS> (263)
1629268-00-3

>  <URL> (263)
http://selleckchem.com/products/ars-853.html

$$$$
Senexin A.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (264)
3366

>  <Formula> (264)
C17H14N4

>  <MolWeight> (264)
274.31986

>  <Cat> (264)
S8520

>  <Name> (264)
Senexin A

>  <Synonyms> (264)
N/A

>  <Target> (264)
CDK

>  <Form> (264)
free base

>  <CAS> (264)
1366002-50-7

>  <URL> (264)
http://selleckchem.com/products/senexin-a.html

$$$$
MSC2530818.cdx
csChFnd80/03192410402D

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>  <Mol_ID> (265)
3369

>  <Formula> (265)
C18H17ClN4O

>  <MolWeight> (265)
340.80678

>  <Cat> (265)
S8387

>  <Name> (265)
MSC2530818

>  <Synonyms> (265)
N/A

>  <Target> (265)
CDK

>  <Form> (265)
free base

>  <CAS> (265)
1883423-59-3

>  <URL> (265)
http://selleckchem.com/products/msc2530818.html

$$$$
LM-5005.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (266)
3382

>  <Formula> (266)
C25H31N5O4

>  <MolWeight> (266)
465.54474

>  <Cat> (266)
S8305

>  <Name> (266)
TRC051384

>  <Synonyms> (266)
N/A

>  <Target> (266)
HSP (HSP90)

>  <Form> (266)
free base

>  <CAS> (266)
867164-40-7

>  <URL> (266)
http://selleckchem.com/products/trc051384.html

$$$$
Azoramide.cdx
csChFnd80/03192410402D

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M  END
>  <Mol_ID> (267)
3405

>  <Formula> (267)
C15H17ClN2OS

>  <MolWeight> (267)
308.82628

>  <Cat> (267)
S8304

>  <Name> (267)
Azoramide

>  <Synonyms> (267)
N/A

>  <Target> (267)
PERK

>  <Form> (267)
free base

>  <CAS> (267)
932986-18-0

>  <URL> (267)
http://selleckchem.com/products/azoramide.html

$$$$
Chk2 Inhibitor II (BML-277).cdx
csChFnd80/03192410402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (268)
3411

>  <Formula> (268)
C20H14ClN3O2

>  <MolWeight> (268)
363.79706

>  <Cat> (268)
S8632

>  <Name> (268)
Chk2 Inhibitor II (BML-277)

>  <Synonyms> (268)
N/A

>  <Target> (268)
Apoptosis related,Chk

>  <Form> (268)
free base

>  <CAS> (268)
516480-79-8

>  <URL> (268)
http://selleckchem.com/products/chk2-inhibitor-2-bml-277.html

$$$$
CCG-203971.cdx
csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (269)
3419

>  <Formula> (269)
C23H21ClN2O3

>  <MolWeight> (269)
408.87744

>  <Cat> (269)
S8469

>  <Name> (269)
CCG-203971

>  <Synonyms> (269)
N/A

>  <Target> (269)
Rho

>  <Form> (269)
free base

>  <CAS> (269)
1443437-74-8

>  <URL> (269)
http://selleckchem.com/products/ccg-203971.html

$$$$
S3669 Carmustine.cdx
csChFnd80/03192410402D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (270)
3428

>  <Formula> (270)
C5H9Cl2N3O2

>  <MolWeight> (270)
214.04986

>  <Cat> (270)
S3669

>  <Name> (270)
Carmustine

>  <Synonyms> (270)
bis-chloroethylnitrosourea, BCNU, BiCNU

>  <Target> (270)
DNA/RNA Synthesis

>  <Form> (270)
free base

>  <CAS> (270)
154-93-8

>  <URL> (270)
http://selleckchem.com/products/carmustine.html

$$$$
PTC-028.cdx
csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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   14.4971    2.1492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4255    5.8526    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
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M  END
>  <Mol_ID> (271)
3474

>  <Formula> (271)
C19H12F5N5

>  <MolWeight> (271)
405.324096

>  <Cat> (271)
S8662

>  <Name> (271)
PTC-028

>  <Synonyms> (271)
N/A

>  <Target> (271)
BMI-1

>  <Form> (271)
free base

>  <CAS> (271)
1782970-28-8

>  <URL> (271)
http://selleckchem.com/products/ptc-028.html

$$$$
S5200 Diaveridine.cdx
csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8587    2.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (272)
3548

>  <Formula> (272)
C13H16N4O2

>  <MolWeight> (272)
260.29174

>  <Cat> (272)
S5200

>  <Name> (272)
Diaveridine

>  <Synonyms> (272)
AI3-23935, CCRIS-3784

>  <Target> (272)
DHFR

>  <Form> (272)
free base

>  <CAS> (272)
5355-16-8

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

$$$$
Skp2 inhibitor C1 (SKPin C1).cdx
csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (273)
3586

>  <Formula> (273)
C18H13BrN2O4S2

>  <MolWeight> (273)
465.34082

>  <Cat> (273)
S8652

>  <Name> (273)
Skp2 inhibitor C1 (SKPin C1)

>  <Synonyms> (273)
N/A

>  <Target> (273)
E3 Ligase 

>  <CAS> (273)
432001-69-9

>  <URL> (273)
http://selleckchem.com/products/skp2-inhibitor-c1-skpin-c1.html

$$$$
SNS-314.cdx
csChFnd80/03192410402D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (274)
3587

>  <Formula> (274)
C18H15ClN6OS2

>  <MolWeight> (274)
430.9343

>  <Cat> (274)
S8699

>  <Name> (274)
SNS-314 Mesylate

>  <Synonyms> (274)
N/A

>  <Target> (274)
Aurora Kinase

>  <Form> (274)
Mesylate

>  <CAS> (274)
1146618-41-8

>  <URL> (274)
http://selleckchem.com/products/sns-314.html

$$$$
KPT-9274.cdx
csChFnd80/03192410402D

 45 50  0  0  0  0  0  0  0  0999 V2000
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   11.0277    7.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3277   11.0995    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 44 23  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
>  <Mol_ID> (275)
3596

>  <Formula> (275)
C35H29F3N4O3

>  <MolWeight> (275)
610.6249696

>  <Cat> (275)
S8444

>  <Name> (275)
KPT 9274 ( ATG-019)

>  <Synonyms> (275)
N/A

>  <Target> (275)
NAMPT,PAK

>  <Form> (275)
free base

>  <CAS> (275)
1643913-93-2

>  <URL> (275)
http://selleckchem.com/products/kpt-9274.html

$$$$
S5097 Methotrexate disodium.cdx
csChFnd80/03192410402D

 35 35  0  0  0  0  0  0  0  0999 V2000
   21.7944    4.8951    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   18.2073    7.0895    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   15.7940    6.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5816    4.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7940    4.9059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0065    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2189    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4313    2.8059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6438    4.9059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5816    7.0059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0065    7.0059    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   12.1567    4.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0817    2.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8613    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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  8 10  1  0  0  0  0
  3 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 13 20  2  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
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 29 30  2  0  0  0  0
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 23 30  1  0  0  0  0
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 17 21  1  0  0  0  0
  4 13  1  0  0  0  0
M  END
>  <Mol_ID> (276)
3622

>  <Formula> (276)
C20H20N8Na2O5

>  <MolWeight> (276)
498.40294

>  <Cat> (276)
S5097

>  <Name> (276)
Methotrexate disodium

>  <Synonyms> (276)
N/A

>  <Target> (276)
Dehydrogenase,DHFR

>  <Form> (276)
disodium salt

>  <CAS> (276)
7413-34-5

>  <URL> (276)
http://selleckchem.com/products/methotrexate-disodium.html

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/03192410402D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    4.4776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5166    5.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7557    2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  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  6  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
  2  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1  2  1  0  0  0  0
 11 13  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (277)
3668

>  <Formula> (277)
C12H22ClN

>  <MolWeight> (277)
215.76278

>  <Cat> (277)
S5484

>  <Name> (277)
Rimantadine Hydrochloride

>  <Synonyms> (277)
N/A

>  <Target> (277)
DNA/RNA Synthesis

>  <Form> (277)
hydrochloride

>  <CAS> (277)
1501-84-4

>  <URL> (277)
http://selleckchem.com/products/rimantadine-hydrochloride.html

$$$$
S5316 NU2058.cdx
csChFnd80/03192410402D

 18 20  0  0  0  0  0  0  0  0999 V2000
    4.8434    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    2.1079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    2.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    2.5263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    0.2841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1918    1.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6325    4.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2109    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
  2  6  1  0  0  0  0
  5  2  2  0  0  0  0
  4  3  2  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  5  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (278)
3678

>  <Formula> (278)
C12H17N5O

>  <MolWeight> (278)
247.29628

>  <Cat> (278)
S5316

>  <Name> (278)
NU2058

>  <Synonyms> (278)
O(6)-Cyclohexylmethylguanine

>  <Target> (278)
CDK

>  <Form> (278)
free base

>  <CAS> (278)
161058-83-9

>  <URL> (278)
http://selleckchem.com/products/nu2058.html

$$$$
S5293 Nimustine Hydrochloride.cdx
csChFnd80/03192410402D

 19 18  0  0  0  0  0  0  0  0999 V2000
    8.4870    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8237    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4237    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1240    0.0000    0.0000 Cl  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
  4  5  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  6  1  0  0  0  0
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 11 12  1  0  0  0  0
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 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 10 14  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (279)
3696

>  <Formula> (279)
C9H14Cl2N6O2

>  <MolWeight> (279)
309.15246

>  <Cat> (279)
S5293

>  <Name> (279)
Nimustine Hydrochloride

>  <Synonyms> (279)
Nidran hydrochloride

>  <Target> (279)
DNA/RNA Synthesis

>  <Form> (279)
hydrochloride

>  <CAS> (279)
55661-38-6

>  <URL> (279)
http://selleckchem.com/products/nimustine-hydrochloride.html

$$$$
S5297 Vidarabine monohydrate.cdx
csChFnd80/03192410402D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.1810    6.9304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5154    7.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396    5.6018    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3610    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279    8.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7146    6.6489    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    5.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5617    4.4758    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2016    9.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7369    9.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393    7.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    3.7712    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7177    3.3396    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9616    4.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2735    2.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  1  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (280)
3700

>  <Formula> (280)
C10H15N5O5

>  <MolWeight> (280)
285.2566

>  <Cat> (280)
S5297

>  <Name> (280)
Vidarabine monohydrate

>  <Synonyms> (280)
Spongoadenosine monohydrate, Vira-A monohydrate

>  <Target> (280)
DNA/RNA Synthesis

>  <Form> (280)
hydrate

>  <CAS> (280)
24356-66-9

>  <URL> (280)
http://selleckchem.com/products/vidarabine-monohydrate.html

$$$$
S5374 5'-Cytidylic acid.cdx
csChFnd80/03192410402D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2166    2.5112    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5707    2.8667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    3.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7141    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5676    1.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9453    4.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    2.6544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2825    1.2907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4141    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    2.2180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1967    0.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2913    4.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957    3.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3693    0.2296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    3.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    2.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6337    3.9576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2892    2.9027    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.8351    4.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433    1.6135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  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  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (281)
3787

>  <Formula> (281)
C9H14N3O8P

>  <MolWeight> (281)
323.196521

>  <Cat> (281)
S5374

>  <Name> (281)
5'-Cytidylic acid

>  <Synonyms> (281)
Cytidine monophosphate, Cytidine 5'-phosphate

>  <Target> (281)
DNA/RNA Synthesis

>  <Form> (281)
free base

>  <CAS> (281)
63-37-6

>  <URL> (281)
http://selleckchem.com/products/5-cytidylic-acid.html

$$$$
S5384 UTP, Trisodium Salt.cdx
csChFnd80/03192410402D

 32 30  0  0  0  0  0  0  0  0999 V2000
   11.8308    6.4994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8308    7.8994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6979    5.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9489    5.6779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6136    8.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0507    8.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1209    4.3554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5023    4.3434    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2832    6.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187   10.0204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4012    7.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0411   10.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2896    3.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3153    3.2036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389   10.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8984    3.3856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8389   12.1075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    2.2592    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.9406    3.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1936    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2358    1.1327    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.6574    2.5305    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.0975    3.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2174    1.2474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3743    1.9706    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7063    3.9704    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.8630    5.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496    2.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3151    4.1271    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0244    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2439    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8780    0.8780    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  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  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (282)
3796

>  <Formula> (282)
C9H12N2Na3O15P3

>  <MolWeight> (282)
550.086573

>  <Cat> (282)
S5384

>  <Name> (282)
UTP Trisodium Salt

>  <Synonyms> (282)
N/A

>  <Target> (282)
DNA/RNA Synthesis

>  <Form> (282)
Trisodium salt

>  <CAS> (282)
19817-92-6

>  <URL> (282)
http://selleckchem.com/products/utp-trisodium-salt.html

$$$$
S5516 Ellagic Acid, Dihydrate.cdx
csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6391    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6391    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8559    5.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4290    5.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    1.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    2.1026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0671    6.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0030    4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2861    5.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4889    3.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    7.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4900    6.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.7066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 11  1  0  0  0  0
 10 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (283)
3852

>  <Formula> (283)
C14H8O9

>  <MolWeight> (283)
320.20792

>  <Cat> (283)
S5516

>  <Name> (283)
Ellagic Acid hydrate

>  <Synonyms> (283)
N/A

>  <Target> (283)
Casein Kinase

>  <Form> (283)
monohydrate

>  <CAS> (283)
314041-08-2

>  <URL> (283)
http://selleckchem.com/products/ellagic-acid-hydrate.html

$$$$
S5522 S-Trityl-L-cysteine.cdx
csChFnd80/03192410402D

 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> (284)
3857

>  <Formula> (284)
C22H21NO2S

>  <MolWeight> (284)
363.47264

>  <Cat> (284)
S5522

>  <Name> (284)
H-Cys(Trt)-OH

>  <Synonyms> (284)
L-Cys(Trt)-OH, H-L-Cys(Trt)-OH, S-Tritylcysteine

>  <Target> (284)
Kinesin

>  <Form> (284)
free base

>  <CAS> (284)
2799-07-7

>  <URL> (284)
http://selleckchem.com/products/h-cys-trt-oh.html

$$$$
S5552 Amenamevir.cdx
csChFnd80/03192410402D

 34 37  0  0  0  0  0  0  0  0999 V2000
   12.0204    0.7539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3892    0.4607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0912    1.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1558    2.7139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8787    2.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6663    2.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2442    2.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4554    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6713    4.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4601    4.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2491    4.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0367    4.9640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8258    4.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6126    4.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9026    4.3432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9126    5.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2750    6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832    7.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6518    9.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    9.3866    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9928    8.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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C24H26N4O5S

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S5552

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Amenamevir

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ASP2151

>  <Target> (285)
DNA/RNA Synthesis

>  <Form> (285)
free base

>  <CAS> (285)
841301-32-4

>  <URL> (285)
http://selleckchem.com/products/amenamevir.html

$$$$
S5582 Cytarabine hydrochloride.cdx
csChFnd80/03192410402D

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>  <Name> (286)
Cytarabine hydrochloride

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N/A

>  <Target> (286)
DNA/RNA Synthesis

>  <Form> (286)
hydrochloride

>  <CAS> (286)
69-74-9

>  <URL> (286)
http://selleckchem.com/products/cytarabine-hydrochloride.html

$$$$
S5265 TBB.cdx
csChFnd80/03192410402D

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TBB

>  <Synonyms> (287)
4,5,6,7-tetrabromobenzotriazole

>  <Target> (287)
Casein Kinase

>  <CAS> (287)
17374-26-4

>  <URL> (287)
http://selleckchem.com/products/tbb.html

$$$$
CCT245737.cdx
csChFnd80/03192410402D

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3961

>  <Formula> (288)
C16H16F3N7O

>  <MolWeight> (288)
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>  <Cat> (288)
S8253

>  <Name> (288)
CCT245737

>  <Synonyms> (288)
SRA737, PNT-737

>  <Target> (288)
Chk

>  <Form> (288)
free base

>  <CAS> (288)
1489389-18-5

>  <URL> (288)
http://selleckchem.com/products/cct245737.html

$$$$

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>  <Formula> (289)
C13H15N3O2S

>  <MolWeight> (289)
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S5933

>  <Name> (289)
K 858

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N/A

>  <Target> (289)
Kinesin

>  <Form> (289)
Free Base

>  <CAS> (289)
72926-24-0

>  <URL> (289)
http://www.selleckchem.com/products/k858.html

$$$$

csChFnd80/03192410402D

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4139

>  <Formula> (290)
C16H20BrN5O

>  <MolWeight> (290)
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>  <Cat> (290)
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>  <Name> (290)
GDC-0575 (ARRY-575)

>  <Synonyms> (290)
RG7741

>  <Target> (290)
Chk

>  <Form> (290)
Free Base

>  <CAS> (290)
1196541-47-5

>  <URL> (290)
http://www.selleckchem.com/products/gdc-0575.html

$$$$

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 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
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4151

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C18H18FN5O2S

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387.4312232

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S8727

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N/A

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CDK

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Free Base

>  <CAS> (291)
1414943-88-6

>  <URL> (291)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/03192410402D

 26 30  0  0  0  0  0  0  0  0999 V2000
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4158

>  <Formula> (292)
C22H18N4

>  <MolWeight> (292)
338.40512

>  <Cat> (292)
S8749

>  <Name> (292)
MBQ-167

>  <Synonyms> (292)
N/A

>  <Target> (292)
Rho

>  <Form> (292)
Free Base

>  <CAS> (292)
2097938-73-1

>  <URL> (292)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/03192410402D

 21 24  0  0  0  0  0  0  0  0999 V2000
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M  END
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4328

>  <Formula> (293)
C16H11N3O2

>  <MolWeight> (293)
277.27744

>  <Cat> (293)
S2009

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Indirubin-3'-monoxime

>  <Synonyms> (293)
Indirubin-3'-oxime

>  <Target> (293)
CDK

>  <Form> (293)
Free Base

>  <CAS> (293)
160807-49-8

>  <URL> (293)
http://www.selleck.cn/products/indirubin-3-monoxime.html

$$$$
S9302 Polyphyllin VI.cdx
csChFnd80/03192410402D

 56 63  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (294)
4391

>  <Formula> (294)
C39H62O13

>  <MolWeight> (294)
738.90178

>  <Cat> (294)
S9302

>  <Name> (294)
Polyphyllin VI

>  <Target> (294)
Pyroptosis

>  <Form> (294)
free base

>  <CAS> (294)
55916-51-3

>  <URL> (294)
https://www.selleckchem.com/products/polyphyllin-vi.html

$$$$
S9009 23-Hydroxybetulinic acid.cdx
csChFnd80/03192410402D

 38 42  0  0  0  0  0  0  0  0999 V2000
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  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
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 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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 18  1  0  0  0  0
 18 12  1  0  0  0  0
  3 19  1  1  0  0  0
  5 20  1  1  0  0  0
  9 21  1  1  0  0  0
 17 22  1  1  0  0  0
 11 23  1  6  0  0  0
  3 24  1  6  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 18  1  0  0  0  0
  4 28  1  6  0  0  0
 10 29  1  6  0  0  0
 14 13  1  0  0  0  0
 11  9  1  0  0  0  0
 27 26  1  0  0  0  0
 27 30  1  6  0  0  0
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 30 32  2  0  0  0  0
 12 33  1  1  0  0  0
 18 34  1  6  0  0  0
 22 35  1  0  0  0  0
 22 36  2  0  0  0  0
  2 37  1  1  0  0  0
 24 38  1  0  0  0  0
M  END
>  <Mol_ID> (295)
4499

>  <Formula> (295)
C30H48O4

>  <MolWeight> (295)
472.69972

>  <Cat> (295)
S9009

>  <Name> (295)
23-Hydroxybetulinic acid

>  <Synonyms> (295)
Anemosapoginin

>  <Target> (295)
Others

>  <Form> (295)
free base

>  <CAS> (295)
85999-40-2

>  <URL> (295)
https://www.selleckchem.com/products/23-hydroxybetulinic-acid.html

$$$$
S5241 Lapatinib ditosylate monohydrate.cdx
csChFnd80/03192410402D

 63 66  0  0  0  0  0  0  0  0999 V2000
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   18.4104    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    2.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8271    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8271    4.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    5.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2189    6.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6189    1.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7011    4.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   25.1176    3.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.3428   11.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5552   12.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7677   14.3172    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
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 60 63  1  0  0  0  0
M  END
>  <Mol_ID> (296)
4554

>  <Formula> (296)
C43H44ClFN4O11S3

>  <MolWeight> (296)
943.4760632

>  <Cat> (296)
S5241

>  <Name> (296)
Lapatinib ditosylate monohydrate

>  <Synonyms> (296)
Lapatinib ditoluenesulfonate monohydrate, Lapatinib tosilate, Lapatinib tosilate hydrate

>  <Target> (296)
HER2

>  <Form> (296)
ditosylate monohydrate

>  <CAS> (296)
388082-78-8

>  <URL> (296)
https://www.selleckchem.com/products/lapatinib-ditosylate-monohydrate.html

$$$$
S5716 Abemaciclib.cdx
csChFnd80/03192410402D

 37 41  0  0  0  0  0  0  0  0999 V2000
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  8 12  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
 11 16  2  0  0  0  0
 10 13  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 12 17  1  0  0  0  0
  8 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 15  1  0  0  0  0
  4 22  1  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 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 30 35  1  0  0  0  0
 36 37  1  0  0  0  0
 33 36  1  0  0  0  0
 29 30  1  0  0  0  0
 26 29  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
>  <Mol_ID> (297)
4571

>  <Formula> (297)
C27H32F2N8

>  <MolWeight> (297)
506.5933864

>  <Cat> (297)
S5716

>  <Name> (297)
Abemaciclib (LY2835219)

>  <Synonyms> (297)
LY2835219

>  <Target> (297)
CDK

>  <Form> (297)
free base

>  <CAS> (297)
1231929-97-7

>  <URL> (297)
http://selleckchem.com/products/abemaciclib.html

$$$$

csChFnd80/03192410402D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.4086    2.4677    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7321    2.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859    3.2885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    1.1402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0020    4.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1536    2.4665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6114    1.1384    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8226    0.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3155    4.7677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    5.2405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1247    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8339    2.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3619    3.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144    4.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7001    4.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3072    4.7861    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    3.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084    6.0933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  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  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (298)
4760

>  <Formula> (298)
C9H13N2O9P

>  <MolWeight> (298)
324.181281

>  <Cat> (298)
S9451

>  <Name> (298)
Uridine 5'-monophosphate

>  <Synonyms> (298)
Uridylic acid, 5'-Uridylic acid, Uridine phosphate, 5'-UMP, Uridine 5'-phosphoric acid

>  <Target> (298)
DNA/RNA Synthesis

>  <Form> (298)
Free Base

>  <CAS> (298)
58-97-9

>  <URL> (298)
http://www.selleckchem.com/products/uridine-5-monophosphate.html

$$$$

csChFnd80/03192410402D

 31 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9929    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.3133    4.6925    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.8769    5.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2263    5.2497    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7185    3.9369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9490    2.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1175    3.9991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9875    2.9074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906    5.3494    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3219    6.1214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7978    5.8395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0277    7.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9497    8.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    7.7130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4211    6.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7282    7.3130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1911    5.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5403    5.0155    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1964    5.3933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8898    4.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9182    6.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1639    3.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8084    3.3324    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.4528    2.9988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4761    4.6824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1434    1.9713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    0.9992    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.1303    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    0.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1804    1.9983    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 11 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
  3 21  1  0  0  0  0
M  END
>  <Mol_ID> (299)
4909

>  <Formula> (299)
C9H14N3Na2O14P3

>  <MolWeight> (299)
527.119983

>  <Cat> (299)
S6077

>  <Name> (299)
Cytidine 5¡ä-triphosphate (disodium salt)

>  <Synonyms> (299)
N/A

>  <Target> (299)
DNA/RNA Synthesis

>  <Form> (299)
disodium salt

>  <CAS> (299)
36051-68-0

>  <URL> (299)
http://www.selleck.cn/products/cytidine-5-triphosphate-disodium-salt.html

$$$$

csChFnd80/03192410402D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6096    4.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5630    2.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    2.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757    2.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9713    4.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7152    4.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171    5.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    4.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    3.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2863    2.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9862    6.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    6.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2068    7.5888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7695    0.8511    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    2.2596    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.8212    8.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0098   10.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5979    9.9140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7943    7.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
 11 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
 13 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 13  1  0  0  0  0
M  END
>  <Mol_ID> (300)
5106

>  <Formula> (300)
C15H19Br2ClN4

>  <MolWeight> (300)
450.59916

>  <Cat> (300)
S8840

>  <Name> (300)
SEL120 (SEL120-34A) hydrochloride

>  <Synonyms> (300)
SEL120-34

>  <Target> (300)
CDK

>  <Form> (300)
hydrochloride

>  <CAS> (300)
1609452-30-3

>  <URL> (300)
http://www.selleck.cn/products/sel120.html

$$$$

csChFnd80/03192410402D

 37 42  0  0  0  0  0  0  0  0999 V2000
    5.6055    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179    3.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0304    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8179    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428    3.9273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4552    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4552    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4956    3.6906    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7110    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4956    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6634    6.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8717    6.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6634    8.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0799    6.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2881    6.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2881    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5006    6.7273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9212    3.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    3.9298    0.0000 N   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
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 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 12  1  0  0  0  0
 10 18  2  0  0  0  0
  9 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 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
 26 29  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 30  1  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (301)
5117

>  <Formula> (301)
C27H27N7O2S

>  <MolWeight> (301)
513.61398

>  <Cat> (301)
S2684

>  <Name> (301)
Pidnarulex (CX-5461)

>  <Synonyms> (301)
N/A

>  <Target> (301)
DNA/RNA Synthesis

>  <Form> (301)
Free Base

>  <CAS> (301)
1138549-36-6

>  <URL> (301)
http://www.selleck.cn/products/cx-5461.html

$$$$

csChFnd80/03192410402D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2123    2.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    0.7022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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2244904-70-7

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1628256-23-4

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>  <URL> (310)
http://www.selleck.cn/products/ng-52.html

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csChFnd80/03192410402D

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>  <Formula> (311)
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>  <MolWeight> (311)
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>  <Synonyms> (311)
N/A

>  <Target> (311)
HSP (HSP90)

>  <Form> (311)
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>  <CAS> (311)
100872-83-1

>  <URL> (311)
http://www.selleck.cn/products/ml346.html

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csChFnd80/03192410402D

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>  <Formula> (312)
C30H32ClN7O2

>  <MolWeight> (312)
558.07378

>  <Cat> (312)
S6595

>  <Name> (312)
THZ531

>  <Synonyms> (312)
N/A

>  <Target> (312)
CDK

>  <Form> (312)
Free Base

>  <CAS> (312)
1702809-17-3

>  <URL> (312)
http://www.selleck.cn/products/thz531.html

$$$$

csChFnd80/03192410402D

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  9 10  1  0  0  0  0
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6617

>  <Formula> (313)
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>  <MolWeight> (313)
402.7852264

>  <Cat> (313)
S6636

>  <Name> (313)
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>  <Synonyms> (313)
N/A

>  <Target> (313)
ROCK

>  <Form> (313)
Free Base

>  <CAS> (313)
867017-68-3

>  <URL> (313)
http://www.selleck.cn/products/azaindole-1.html

$$$$

csChFnd80/03192410402D

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>  <Mol_ID> (314)
6626

>  <Formula> (314)
C18H17BrN2O3

>  <MolWeight> (314)
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>  <Cat> (314)
S6710

>  <Name> (314)
SGC-GAK-1

>  <Synonyms> (314)
N/A

>  <Target> (314)
Serine/threonin kinase

>  <Form> (314)
Free Base

>  <CAS> (314)
2226517-76-4

>  <URL> (314)
http://www.selleck.cn/products/sgc-gak-1.html

$$$$

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  1 27  1  0  0  0  0
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 11 14  1  0  0  0  0
 13 16  2  0  0  0  0
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 15 23  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (315)
6635

>  <Formula> (315)
C24H21Cl2N3OS3

>  <MolWeight> (315)
534.54404

>  <Cat> (315)
S6721

>  <Name> (315)
JG98

>  <Synonyms> (315)
N/A

>  <Target> (315)
Apoptosis related,HSP (HSP90)

>  <Form> (315)
Free Base

>  <CAS> (315)
1456551-16-8

>  <URL> (315)
http://www.selleck.cn/products/jg98.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  6  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 14  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (316)
6640

>  <Formula> (316)
C21H23ClFNO2

>  <MolWeight> (316)
375.8642232

>  <Cat> (316)
S6727

>  <Name> (316)
AX-024 HCl

>  <Synonyms> (316)
N/A

>  <Target> (316)
CD markers,IFN,Interleukins,TNF-alpha

>  <Form> (316)
Hydrochloride

>  <CAS> (316)
1704801-24-0

>  <URL> (316)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/03192410402D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  3  4  1  0  0  0  0
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  1  6  2  0  0  0  0
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  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (317)
6646

>  <Formula> (317)
C19H22Cl2FN5

>  <MolWeight> (317)
410.3158832

>  <Cat> (317)
S6734

>  <Name> (317)
PF-670462

>  <Synonyms> (317)
N/A

>  <Target> (317)
Casein Kinase

>  <Form> (317)
Free Base

>  <CAS> (317)
950912-80-8

>  <URL> (317)
http://www.selleck.cn/products/pf-670462.html

$$$$

csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (318)
6660

>  <Formula> (318)
C24H20N2O3

>  <MolWeight> (318)
384.4272

>  <Cat> (318)
S6752

>  <Name> (318)
Y16

>  <Synonyms> (318)
N/A

>  <Target> (318)
Rho

>  <Form> (318)
Free Base

>  <CAS> (318)
429653-73-6

>  <URL> (318)
http://www.selleck.cn/products/y16.html

$$$$

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>  <Formula> (319)
C25H26N8O

>  <MolWeight> (319)
454.52694

>  <Cat> (319)
S7716

>  <Name> (319)
Pimitespib (TAS-116)

>  <Synonyms> (319)
N/A

>  <Target> (319)
HSP (HSP90)

>  <Form> (319)
Free Base

>  <CAS> (319)
1260533-36-5

>  <URL> (319)
http://www.selleck.cn/products/tas-116.html

$$$$

csChFnd80/03192410402D

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   13.6894    1.9072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3118    0.6281    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
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 14 20  1  0  0  0  0
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M  END
>  <Mol_ID> (320)
6671

>  <Formula> (320)
C19H13F5N6

>  <MolWeight> (320)
420.338736

>  <Cat> (320)
S8820

>  <Name> (320)
Unesbulin (PTC596)

>  <Synonyms> (320)
N/A

>  <Target> (320)
Apoptosis related,Bcl-2,BMI-1

>  <Form> (320)
Free Base

>  <CAS> (320)
1610964-64-1

>  <URL> (320)
http://www.selleck.cn/products/ptc596.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (321)
6702

>  <Formula> (321)
C17H18ClN5O2

>  <MolWeight> (321)
359.81012

>  <Cat> (321)
S2249

>  <Name> (321)
PF 4800567

>  <Synonyms> (321)
N/A

>  <Target> (321)
Casein Kinase

>  <Form> (321)
Free Base

>  <CAS> (321)
1188296-52-7

>  <URL> (321)
http://www.selleck.cn/products/pf-4800567.html

$$$$

csChFnd80/03192410402D

 31 34  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  1  7  1  0  0  0  0
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 14  7  2  0  0  0  0
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 19  9  1  0  0  0  0
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M  END
>  <Mol_ID> (322)
6726

>  <Formula> (322)
C23H19ClF2N2O3

>  <MolWeight> (322)
444.8583664

>  <Cat> (322)
S6673

>  <Name> (322)
CCG-222740

>  <Synonyms> (322)
N/A

>  <Target> (322)
Actin,Rho

>  <Form> (322)
Free Base

>  <CAS> (322)
1922098-69-8

>  <URL> (322)
http://www.selleck.cn/products/ccg-222740.html

$$$$

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 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> (323)
6767

>  <Formula> (323)
C23H30Cl2NNa2O6P

>  <MolWeight> (323)
564.346701

>  <Cat> (323)
S2441

>  <Name> (323)
Estramustine phosphate sodium

>  <Synonyms> (323)
EMP, Emcyt, Estracyt

>  <Target> (323)
Microtubule Associated

>  <Form> (323)
phosphate sodium

>  <CAS> (323)
52205-73-9

>  <URL> (323)
http://www.selleck.cn/products/estramustine-phosphate-sodium.html

$$$$

csChFnd80/03192410402D

 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> (324)
6768

>  <Formula> (324)
C13H17N3O2

>  <MolWeight> (324)
247.29298

>  <Cat> (324)
S2444

>  <Name> (324)
Parbendazole

>  <Synonyms> (324)
SKF 29044

>  <Target> (324)
Microtubule Associated

>  <Form> (324)
Free Base

>  <CAS> (324)
14255-87-9

>  <URL> (324)
http://www.selleck.cn/products/parbendazole.html

$$$$

csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4985    2.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7852    2.2102    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6490    4.1787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862    2.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7252    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    0.8406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0229    4.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    2.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1174    3.1076    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8635    2.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6867    1.8288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9402    4.2401    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8635    0.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6305    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4181    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    0.0023    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (325)
6772

>  <Formula> (325)
C12H13N3O3S

>  <MolWeight> (325)
279.31492

>  <Cat> (325)
S2600

>  <Name> (325)
Fexinidazole

>  <Synonyms> (325)
HOE-239, Fexinidazole Winthrop

>  <Target> (325)
DNA/RNA Synthesis

>  <Form> (325)
Free Base

>  <CAS> (325)
59729-37-2

>  <URL> (325)
http://www.selleck.cn/products/fexinidazole.html

$$$$

csChFnd80/03192410402D

 34 39  0  0  0  0  0  0  0  0999 V2000
    2.9373   12.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   12.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   13.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   14.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   14.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373   13.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047   10.8425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699   10.8425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.9196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1578    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373   15.8113    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   15.8113    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  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 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 17  1  0  0  0  0
 18 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 21  2  0  0  0  0
 30 32  1  0  0  0  0
  5 33  1  0  0  0  0
  4 34  1  0  0  0  0
M  END
>  <Mol_ID> (326)
6787

>  <Formula> (326)
C21H20Cl2N10O

>  <MolWeight> (326)
499.3559

>  <Cat> (326)
S8894

>  <Name> (326)
SR-4835

>  <Synonyms> (326)
N/A

>  <Target> (326)
CDK

>  <Form> (326)
Free Base

>  <CAS> (326)
2387704-62-1

>  <URL> (326)
http://www.selleckchem.com/products/sr-4835.html

$$$$

csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    4.7272    5.6808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2604    2.3193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1212    7.6634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1846    4.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
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  6 23  2  0  0  0  0
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  8 24  2  0  0  0  0
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  9 22  2  0  0  0  0
 10 26  2  0  0  0  0
 11 26  1  0  0  0  0
 12 16  2  0  0  0  0
 12 19  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 17 24  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23  7  1  0  0  0  0
M  END
>  <Mol_ID> (327)
6789

>  <Formula> (327)
C16H14Cl2N8O

>  <MolWeight> (327)
405.24136

>  <Cat> (327)
S8903

>  <Name> (327)
AS2863619

>  <Synonyms> (327)
N/A

>  <Target> (327)
CDK

>  <Form> (327)
Free Base

>  <CAS> (327)
2241300-51-4

>  <URL> (327)
http://www.selleckchem.com/products/as2863619.html

$$$$

csChFnd80/03192410402D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4221    3.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  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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 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (328)
6815

>  <Formula> (328)
C14H14O4S2

>  <MolWeight> (328)
310.38856

>  <Cat> (328)
S6777

>  <Name> (328)
NSC95397

>  <Synonyms> (328)
N/A

>  <Target> (328)
CDK,phosphatase

>  <Form> (328)
Free Base

>  <CAS> (328)
93718-83-3

>  <URL> (328)
http://www.selleckchem.com/products/nsc95397.html

$$$$

csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    4.0049    4.3318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0318    6.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6920    7.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5695    1.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869    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
  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
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (329)
6829

>  <Formula> (329)
C12H8ClNO4S

>  <MolWeight> (329)
297.71422

>  <Cat> (329)
S6796

>  <Name> (329)
BTB-1

>  <Synonyms> (329)
N/A

>  <Target> (329)
Kinesin

>  <Form> (329)
Free Base

>  <CAS> (329)
86030-08-2

>  <URL> (329)
http://www.selleckchem.com/products/btb-1.html

$$$$

csChFnd80/03192410402D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.5085    0.7178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  3  7  2  0  0  0  0
  1  8  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 16  1  0  0  0  0
 11 16  2  0  0  0  0
 10 11  1  0  0  0  0
  9 10  2  0  0  0  0
  4  9  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
>  <Mol_ID> (330)
6856

>  <Formula> (330)
C11H10N4OS

>  <MolWeight> (330)
246.2883

>  <Cat> (330)
S0102

>  <Name> (330)
L 189

>  <Synonyms> (330)
N/A

>  <Target> (330)
CRISPR/Cas9,DNA/RNA Synthesis

>  <Form> (330)
Free Base

>  <CAS> (330)
64232-83-3

>  <URL> (330)
http://www.selleckchem.com/products/l-189.html

$$$$

csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.7077    0.4962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3305    0.7477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4872    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3725    1.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4062    2.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7600    1.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2924    3.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6799    3.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0028    0.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5352    2.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 19  2  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 19  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (331)
6857

>  <Formula> (331)
C19H18N4O4

>  <MolWeight> (331)
366.37062

>  <Cat> (331)
S0103

>  <Name> (331)
ML327

>  <Synonyms> (331)
N/A

>  <Target> (331)
Apoptosis related,Myc

>  <Form> (331)
Free Base

>  <CAS> (331)
1883510-31-3

>  <URL> (331)
http://www.selleckchem.com/products/ml327.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.0311    0.4279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8186    1.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8186    2.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6045    0.4269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1156    0.5449    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3962    1.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8717    2.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755    1.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4580    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4713    4.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8906    3.2145    0.0000 F   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
  2  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  2  0  0  0  0
  5  9  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
 10 15  1  0  0  0  0
  9 12  1  0  0  0  0
  4  6  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
 16 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 18 22  1  0  0  0  0
 19 26  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (332)
6881

>  <Formula> (332)
C15H9F4N5OS

>  <MolWeight> (332)
383.3234728

>  <Cat> (332)
S0469

>  <Name> (332)
ML216

>  <Synonyms> (332)
CID-49852229

>  <Target> (332)
DNA/RNA Synthesis

>  <Form> (332)
Free Base

>  <CAS> (332)
1430213-30-1

>  <URL> (332)
http://www.selleckchem.com/products/ml216.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.8374    9.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6250    8.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6275    7.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4054    6.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4133    9.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8374   10.5207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    8.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8400    6.3287    0.0000 Cl  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
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  1  9  1  0  0  0  0
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 13 20  1  0  0  0  0
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 28 29  1  0  0  0  0
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  5 10  1  0  0  0  0
  3 30  1  0  0  0  0
M  END
>  <Mol_ID> (333)
6885

>  <Formula> (333)
C20H25ClN6O3

>  <MolWeight> (333)
432.9039

>  <Cat> (333)
S0500

>  <Name> (333)
Purvalanol B

>  <Synonyms> (333)
NG 95

>  <Target> (333)
CDK

>  <Form> (333)
Free Base

>  <CAS> (333)
212844-54-7

>  <URL> (333)
http://www.selleckchem.com/products/purvalanol-b-ng-95.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
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C24H26N2O3S

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TH-257

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N/A

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LIM kinase

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Free Base

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2244678-29-1

>  <URL> (334)
http://www.selleckchem.com/products/th-257.html

$$$$

csChFnd80/03192410402D

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6909

>  <Formula> (335)
C20H19ClN6O2

>  <MolWeight> (335)
410.85686

>  <Cat> (335)
S6837

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R-10015

>  <Synonyms> (335)
N/A

>  <Target> (335)
LIM kinase

>  <Form> (335)
Free Base

>  <CAS> (335)
2097938-51-5

>  <URL> (335)
http://www.selleckchem.com/products/r-10015.html

$$$$

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6921

>  <Formula> (336)
C31H28ClN7O2

>  <MolWeight> (336)
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>  <Cat> (336)
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THZ2

>  <Synonyms> (336)
N/A

>  <Target> (336)
CDK

>  <Form> (336)
Free Base

>  <CAS> (336)
1604810-84-5

>  <URL> (336)
http://www.selleckchem.com/products/thz2.html

$$$$

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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (337)
6923

>  <Formula> (337)
C47H56N10O11

>  <MolWeight> (337)
937.00794

>  <Cat> (337)
S8815

>  <Name> (337)
BSJ-03-123

>  <Synonyms> (337)
BSJ

>  <Target> (337)
CDK,PROTAC

>  <Form> (337)
Free Base

>  <CAS> (337)
2361493-16-3

>  <URL> (337)
http://www.selleckchem.com/products/bsj-03-123.html

$$$$

csChFnd80/03192410402D

 14 15  0  0  0  0  0  0  0  0999 V2000
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  3  6  1  0  0  0  0
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M  END
>  <Mol_ID> (338)
6933

>  <Formula> (338)
C11H13NOS

>  <MolWeight> (338)
207.29202

>  <Cat> (338)
S0023

>  <Name> (338)
K-Ras-IN-1

>  <Synonyms> (338)
MDK-3017

>  <Target> (338)
Ras

>  <Form> (338)
free base

>  <CAS> (338)
84783-01-7

>  <URL> (338)
http://www.selleckchem.com/products/k-ras-in-1.html

$$$$

csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (339)
6951

>  <Formula> (339)
C17H14Cl2F2N4OS

>  <MolWeight> (339)
431.2870664

>  <Cat> (339)
S0185

>  <Name> (339)
BMS-5

>  <Synonyms> (339)
LIMKi 3

>  <Target> (339)
LIM kinase

>  <Form> (339)
free base

>  <CAS> (339)
1338247-35-0

>  <URL> (339)
http://www.selleckchem.com/products/bms-5.html

$$$$

csChFnd80/03192410402D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  2 12  2  0  0  0  0
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M  END
>  <Mol_ID> (340)
6963

>  <Formula> (340)
C16H18N2O2S

>  <MolWeight> (340)
302.39132

>  <Cat> (340)
S0279

>  <Name> (340)
Dimethylenastron

>  <Synonyms> (340)
Eg5 Inhibitor III

>  <Target> (340)
HSP (HSP90),Kinesin

>  <Form> (340)
free base

>  <CAS> (340)
863774-58-7

>  <URL> (340)
http://www.selleckchem.com/products/dimethylenastron.html

$$$$

csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
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 10  5  2  0  0  0  0
 11 12  2  0  0  0  0
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 13  9  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
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 16 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
>  <Mol_ID> (341)
6964

>  <Formula> (341)
C16H17N5O2

>  <MolWeight> (341)
311.33848

>  <Cat> (341)
S0280

>  <Name> (341)
Madrasin

>  <Synonyms> (341)
DDD00107587

>  <Target> (341)
DNA/RNA Synthesis

>  <Form> (341)
free base

>  <CAS> (341)
374913-63-0

>  <URL> (341)
http://www.selleckchem.com/products/madrasin.html

$$$$

csChFnd80/03192410402D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.0535    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4535    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6535    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4124    9.7924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7817   10.0835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450    7.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4817    8.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   10.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2659    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0535    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   12.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   10.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5740    7.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226   13.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911   12.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9435    7.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0898    9.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2 19  1  0  0  0  0
  2 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 23 27  1  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (342)
6965

>  <Formula> (342)
C21H19N3O2S2

>  <MolWeight> (342)
409.52446

>  <Cat> (342)
S0294

>  <Name> (342)
HSF1A

>  <Synonyms> (342)
N/A

>  <Target> (342)
HSP (HSP90)

>  <Form> (342)
free base

>  <CAS> (342)
1196723-93-9

>  <URL> (342)
http://www.selleckchem.com/products/hsf1a.html

$$$$

csChFnd80/03192410402D

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.6644    0.7534    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    7.8651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    6.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.2390    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    8.4425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0993    9.3087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    1.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    5.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    1.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    6.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5545    7.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    2.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7944   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    7.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1643   10.3507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6644    7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 15  2  0  0  0  0
  3 20  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 20  1  0  0  0  0
  5 24  1  0  0  0  0
  6 27  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 17  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (343)
6979

>  <Formula> (343)
C22H16ClN3O2

>  <MolWeight> (343)
389.83434

>  <Cat> (343)
S0444

>  <Name> (343)
Indibulin

>  <Synonyms> (343)
ZIO 301, D 24851, Zybulin

>  <Target> (343)
Apoptosis related,Microtubule Associated

>  <Form> (343)
free base

>  <CAS> (343)
204205-90-3

>  <URL> (343)
http://www.selleckchem.com/products/Indibulin.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6657   12.0751    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.4506   11.9630    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.6549    9.8584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    9.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2189    8.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    5.5515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    8.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2301    9.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9672   10.5969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4451   10.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6 19  1  0  0  0  0
  7 16  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 17  2  0  0  0  0
 15 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (344)
6989

>  <Formula> (344)
C19H11ClN3NaO2

>  <MolWeight> (344)
371.75231

>  <Cat> (344)
S0707

>  <Name> (344)
Silmitasertib (CX-4945)?sodium salt

>  <Synonyms> (344)
CX-4945 sodium salt

>  <Target> (344)
Casein Kinase

>  <Form> (344)
sodium

>  <CAS> (344)
1309357-15-0

>  <URL> (344)
http://www.selleckchem.com/products/silmitasertib-sodium-salt.html

$$$$

csChFnd80/03192410402D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2936    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6061    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   10.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7749    6.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669    8.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9726    5.0752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6831    8.3197    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0454    9.6719    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7613    7.4909    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2824    8.8065    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0142   11.0476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 21  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 13  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (345)
6998

>  <Formula> (345)
C15H13Cl2NO3

>  <MolWeight> (345)
326.17462

>  <Cat> (345)
S0790

>  <Name> (345)
CADD522

>  <Synonyms> (345)
N/A

>  <Target> (345)
RUNX

>  <Form> (345)
free base

>  <CAS> (345)
199735-88-1

>  <URL> (345)
http://www.selleckchem.com/products/cadd522.html

$$$$

csChFnd80/03192410402D

 63 70  0  0  0  0  0  0  0  0999 V2000
    1.3951    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3951    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8901    4.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8901    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6878    4.6538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6878    3.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1026    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1026    5.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3146    4.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5291    5.6438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5291    7.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3140    3.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    4.9438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9539    5.6438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.9539    7.0438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7415    7.7438    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3118    9.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3118    7.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    9.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    7.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0401    9.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8932    9.7303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4415    3.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8415    3.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7439    2.5231    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0415    3.7313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5291    4.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7415    6.3438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1622    4.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1664    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3788    7.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753    5.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3753    5.5414    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
  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 18  1  6  0  0  0
 20 14  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 23 25  1  6  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 17 28  1  1  0  0  0
 15 29  1  1  0  0  0
 29 30  2  0  0  0  0
 15 31  1  0  0  0  0
 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
 37 41  1  0  0  0  0
 37 38  1  0  0  0  0
 41 40  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 43 44  1  0  0  0  0
 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
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 43 56  1  1  0  0  0
 40 57  1  1  0  0  0
 46 58  1  6  0  0  0
 44 59  1  1  0  0  0
 45 60  1  6  0  0  0
 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> (346)
7011

>  <Formula> (346)
C43H57N5O11S

>  <MolWeight> (346)
852.00458

>  <Cat> (346)
S2440

>  <Name> (346)
Vindesine sulfate

>  <Synonyms> (346)
Eldesine, Eldisine, Desacetyl Vinblastine amide, Desacetylvinblastine amide, DAVA, DVA, VDS

>  <Target> (346)
Microtubule Associated

>  <Form> (346)
sulfate

>  <CAS> (346)
59917-39-4

>  <URL> (346)
http://www.selleckchem.com/products/vindesine-sulfate.html

$$$$

csChFnd80/03192410402D

 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
    6.0784    2.9742    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6521    2.9951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8653    5.0743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3000    3.6728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0784    1.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    1.5854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    7.3000    5.0743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6219    3.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    0.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    0.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    2.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6219    5.5092    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3000    6.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4461    4.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2174    1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0319    6.8396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (347)
7016

>  <Formula> (347)
C21H32O2

>  <MolWeight> (347)
316.47758

>  <Cat> (347)
S3206

>  <Name> (347)
5a-Pregnane-3,20-dione

>  <Synonyms> (347)
5alphaP, 5-a-dihydroprogesterone, 3,20-allopregnanedione, 5-Alpha-Dihydro Progesterone

>  <Target> (347)
Actin,Microtubule Associated

>  <Form> (347)
free base

>  <CAS> (347)
566-65-4

>  <URL> (347)
http://www.selleckchem.com/products/5a-pregnane-320-dione.html

$$$$

csChFnd80/03192410402D

 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> (348)
7025

>  <Formula> (348)
C7H14O6

>  <MolWeight> (348)
194.18246

>  <Cat> (348)
S3223

>  <Name> (348)
L-Quebrachitol

>  <Synonyms> (348)
L-QCT

>  <Target> (348)
NF-¦ÊB,RUNX,TGF-beta/Smad,Wnt/beta-catenin

>  <Form> (348)
free base

>  <CAS> (348)
642-38-6

>  <URL> (348)
http://www.selleckchem.com/products/l-quebrachitol.html

$$$$

csChFnd80/03192410402D

 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
    6.5405    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.0511    7.2422    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5078    4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9405    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7996    7.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    7.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    5.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    7.2713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6884    6.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    5.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    9.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    5.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0173    8.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311   10.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2097    9.5396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3125    6.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8126    4.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9405    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6824    6.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6405    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (349)
7026

>  <Formula> (349)
C26H34O6

>  <MolWeight> (349)
442.54456

>  <Cat> (349)
S3224

>  <Name> (349)
Cinobufagin

>  <Synonyms> (349)
Cinobufagine

>  <Target> (349)
Akt,Apoptosis related,ATM/ATR,Bcl-2,Caspase,CDK,Chk,PI3K

>  <Form> (349)
free base

>  <CAS> (349)
470-37-1

>  <URL> (349)
http://www.selleckchem.com/products/cinobufagin.html

$$$$

csChFnd80/03192410402D

 28 33  0  0  0  0  0  0  0  0999 V2000
    5.2310    0.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.2635    1.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0511    2.2049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    7.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    4.3533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4759    3.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    1.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.6340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6885    2.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8346    5.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8778    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    4.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174    5.0440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    6.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.9023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3126    2.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8127    0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6176    2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  8  1  1  1  0  0  0
 24  2  1  1  0  0  0
  3 26  1  0  0  0  0
  3 28  1  0  0  0  0
  4 28  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  1  1  0  0  0
  7  9  1  0  0  0  0
  7 15  1  6  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  1  0  0  0
 10 11  1  0  0  0  0
 10 20  1  1  0  0  0
 12 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 22  1  1  0  0  0
 13 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  6  0  0  0
 19 23  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (350)
7033

>  <Formula> (350)
C24H32O4

>  <MolWeight> (350)
384.50848

>  <Cat> (350)
S3238

>  <Name> (350)
Resibufogenin

>  <Synonyms> (350)
Bufogenin, Recibufogenin

>  <Target> (350)
Akt,Apoptosis related,Bcl-2,Caspase,CDK,GSK-3,Mixed Lineage Kinase,PI3K,RIP kinase,ROS,Wnt/beta-catenin

>  <Form> (350)
free base

>  <CAS> (350)
465-39-4

>  <URL> (350)
http://www.selleckchem.com/products/resibufogenin.html

$$$$

csChFnd80/03192410402D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0524    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.4620    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8869    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0993    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (351)
7117

>  <Formula> (351)
C2H2NNaO3

>  <MolWeight> (351)
111.03195

>  <Cat> (351)
S6871

>  <Name> (351)
Sodium oxamate

>  <Synonyms> (351)
SO, oxamate sodium, Aminooxoacetic acid sodium salt, Oxamic acid sodium salt

>  <Target> (351)
Apoptosis related,CDK,LDH,ROS

>  <Form> (351)
Sodium

>  <CAS> (351)
565-73-1

>  <URL> (351)
http://www.selleckchem.com/products/sodium-oxamate.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    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
    8.4870    1.4000    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
    7.2746    3.5000    0.0000 C   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
    9.6995    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
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    6.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159    7.6694    0.0000 N   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
    1.2124    5.6000    0.0000 N   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 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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 N   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  1  0  0  0  0
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 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 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 17 25  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 24  1  0  0  0  0
 15 16  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (352)
7127

>  <Formula> (352)
C15H13F3N6O2

>  <MolWeight> (352)
366.2979296

>  <Cat> (352)
S6893

>  <Name> (352)
PIN1 inhibitor API-1

>  <Synonyms> (352)
N/A

>  <Target> (352)
DNA/RNA Synthesis

>  <Form> (352)
free base

>  <CAS> (352)
680622-70-2

>  <URL> (352)
http://www.selleckchem.com/products/pin1-inhibitor-api-1.html

$$$$

csChFnd80/03192410402D

 38 41  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    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
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    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
   14.5493    0.0000    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
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    7.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3313    6.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3313    4.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1205    4.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5454    7.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7570    6.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1822    9.1119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3946    8.4119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3946    7.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1822    6.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1166    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
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  1 11  1  0  0  0  0
 14 15  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
 16 21  2  0  0  0  0
 15 16  1  0  0  0  0
 13 14  1  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 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 31 36  2  0  0  0  0
 30 31  1  0  0  0  0
 26 29  1  0  0  0  0
 37 38  1  0  0  0  0
 25 37  1  0  0  0  0
 22 23  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
>  <Mol_ID> (353)
7131

>  <Formula> (353)
C33H36N2O3

>  <MolWeight> (353)
508.65054

>  <Cat> (353)
S6905

>  <Name> (353)
MCP110

>  <Synonyms> (353)
N/A

>  <Target> (353)
Raf,Ras

>  <Form> (353)
free base

>  <CAS> (353)
521310-51-0

>  <URL> (353)
http://www.selleckchem.com/products/mcp110.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.7782    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4782    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7782    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    3.6719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6806    0.0388    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4758    4.8801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8758    4.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9758    3.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6758    4.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9758    6.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    6.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    3.5921    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287    1.7595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8913    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6733    2.4595    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4609    1.7595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8858    3.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3733    1.2470    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
  6  8  1  0  0  0  0
  3  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
  7 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  7  2  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (354)
7137

>  <Formula> (354)
C15H15FN6O2S2

>  <MolWeight> (354)
394.4470032

>  <Cat> (354)
S7773

>  <Name> (354)
CDKI-73

>  <Synonyms> (354)
N/A

>  <Target> (354)
CDK

>  <Form> (354)
free base

>  <CAS> (354)
1421693-22-2

>  <URL> (354)
http://www.selleckchem.com/products/cdki-73.html

$$$$

csChFnd80/03192410402D

 29 30  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.0385    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.1385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2385    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    6.2509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   29
Rotation(+)
M  END
>  <Mol_ID> (355)
7145

>  <Formula> (355)
C19H18F2N4O2RS

>  <MolWeight> (355)
404.4336264

>  <Cat> (355)
S8730

>  <Name> (355)
BAY 1251152

>  <Synonyms> (355)
(+)-BAY-1251152

>  <Target> (355)
CDK

>  <Form> (355)
free base

>  <CAS> (355)
1610358-56-9

>  <URL> (355)
http://www.selleckchem.com/products/bay1251152.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (356)
7146

>  <Formula> (356)
C24H33ClN6O2S

>  <MolWeight> (356)
505.07582

>  <Cat> (356)
S8783

>  <Name> (356)
JSH-150

>  <Synonyms> (356)
N/A

>  <Target> (356)
CDK

>  <Form> (356)
free base

>  <CAS> (356)
2247481-21-4

>  <URL> (356)
http://www.selleckchem.com/products/jsh-150.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (357)
7150

>  <Formula> (357)
C20H16Cl3N3O4

>  <MolWeight> (357)
468.71774

>  <Cat> (357)
S8850

>  <Name> (357)
JH-RE-06

>  <Synonyms> (357)
N/A

>  <Target> (357)
DNA/RNA Synthesis

>  <Form> (357)
free base

>  <CAS> (357)
1361227-90-8

>  <URL> (357)
http://www.selleckchem.com/products/jh-re-06.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (358)
7151

>  <Formula> (358)
C26H16ClF9N2O2

>  <MolWeight> (358)
594.8560688

>  <Cat> (358)
S8905

>  <Name> (358)
MYCi361

>  <Synonyms> (358)
NUCC-0196361

>  <Target> (358)
Myc

>  <Form> (358)
free base

>  <CAS> (358)
2289690-31-7

>  <URL> (358)
http://www.selleckchem.com/products/myci361.html

$$$$

csChFnd80/03192410402D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (359)
7152

>  <Formula> (359)
C25H16Cl2F6N2O2

>  <MolWeight> (359)
561.3031592

>  <Cat> (359)
S8906

>  <Name> (359)
MYCi975

>  <Synonyms> (359)
NUCC-0200975

>  <Target> (359)
Myc

>  <Form> (359)
free base

>  <CAS> (359)
2289691-01-4

>  <URL> (359)
http://www.selleckchem.com/products/myci975.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (360)
7153

>  <Formula> (360)
C23H25F3N4O3

>  <MolWeight> (360)
462.4648096

>  <Cat> (360)
S8916

>  <Name> (360)
BI-3406

>  <Synonyms> (360)
N/A

>  <Target> (360)
Ras

>  <Form> (360)
free base

>  <CAS> (360)
2230836-55-0

>  <URL> (360)
http://www.selleckchem.com/products/bi-3406.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (361)
7162

>  <Formula> (361)
C20H15F3N2O5

>  <MolWeight> (361)
420.3387096

>  <Cat> (361)
S8977

>  <Name> (361)
BCH001

>  <Synonyms> (361)
N/A

>  <Target> (361)
DNA/RNA Synthesis

>  <Form> (361)
free base

>  <CAS> (361)
384859-58-9

>  <URL> (361)
http://www.selleckchem.com/products/bch001.html

$$$$

csChFnd80/03192410402D

 36 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (362)
7164

>  <Formula> (362)
C27H37ClN6O2

>  <MolWeight> (362)
513.07468

>  <Cat> (362)
S8981

>  <Name> (362)
NVP-2

>  <Synonyms> (362)
N/A

>  <Target> (362)
Apoptosis related,CDK

>  <Form> (362)
free base

>  <CAS> (362)
1263373-43-8

>  <URL> (362)
http://www.selleckchem.com/products/nvp-2.html

$$$$

csChFnd80/03192410402D

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>  <Mol_ID> (363)
7178

>  <Formula> (363)
C25H27F2N4O8P

>  <MolWeight> (363)
580.4744474

>  <Cat> (363)
S9649

>  <Name> (363)
Acelarin (NUC-1031)

>  <Synonyms> (363)
CPF-31, MTL-007, GTPL7389

>  <Target> (363)
DNA/RNA Synthesis

>  <Form> (363)
free base

>  <CAS> (363)
840506-29-8

>  <URL> (363)
http://www.selleckchem.com/products/acelarin-nuc-1031.html

$$$$

csChFnd80/03192410402D

 34 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (364)
7179

>  <Formula> (364)
C25H20FN7O

>  <MolWeight> (364)
453.4710032

>  <Cat> (364)
S9658

>  <Name> (364)
SP-96

>  <Synonyms> (364)
N/A

>  <Target> (364)
Aurora Kinase

>  <Form> (364)
free base

>  <CAS> (364)
2682114-54-9

>  <URL> (364)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (365)
7183

>  <Formula> (365)
C97H144FN33O19S2

>  <MolWeight> (365)
2159.5193632

>  <Cat> (365)
S9665

>  <Name> (365)
Motixafortide (BL-8040)

>  <Synonyms> (365)
BKT140, TF 14016, 4-fluorobenzoyl, 4F-benzoyl-TN14003, T140

>  <Target> (365)
Apoptosis related,Bcl-2,CDK,CXCR,ERK,MicroRNA

>  <Form> (365)
free base

>  <CAS> (365)
664334-36-5

>  <URL> (365)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/03192410402D

 10 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (366)
7188

>  <Formula> (366)
C5H5N5

>  <MolWeight> (366)
135.1267

>  <Cat> (366)
S1981

>  <Name> (366)
Adenine

>  <Synonyms> (366)
6-Aminopurine

>  <Target> (366)
DNA/RNA Synthesis

>  <Form> (366)
Free Base

>  <CAS> (366)
73-24-5

>  <URL> (366)
https://www.selleckchem.com/products/adenine.html

$$$$

csChFnd80/03192410402D

 24 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (367)
7213

>  <Formula> (367)
C21H18N2O

>  <MolWeight> (367)
314.38042

>  <Cat> (367)
S0765

>  <Name> (367)
MAZ51

>  <Synonyms> (367)
N/A

>  <Target> (367)
Akt,Apoptosis related,GSK-3,Rho,VEGFR

>  <Form> (367)
Free Base

>  <CAS> (367)
163655-37-6

>  <URL> (367)
https://www.selleckchem.com/products/maz51.html

$$$$

csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1444    3.1583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3860    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3972    7.1815    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645    4.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8142    3.5954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9877    2.4654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    1.3300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1398    1.7583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2697    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634    5.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    6.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2086    6.0507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9802    7.6398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6138    7.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012    4.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
 11  2  1  1  0  0  0
  3 13  1  0  0  0  0
 17  4  1  1  0  0  0
  9  5  1  6  0  0  0
  5 14  1  0  0  0  0
  5 16  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  2  0  0  0  0
  7 14  1  0  0  0  0
  7 19  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (368)
7263

>  <Formula> (368)
C11H16N4O4

>  <MolWeight> (368)
268.26914

>  <Cat> (368)
S9521

>  <Name> (368)
Pentostatin

>  <Synonyms> (368)
CI-825,Deoxycoformycin

>  <Target> (368)
Adenosine Deaminase,DNA/RNA Synthesis

>  <Form> (368)
Free Base

>  <CAS> (368)
53910-25-1

>  <URL> (368)
https://www.selleckchem.com/products/pentostatin.html

$$$$

csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7613    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7613    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3364    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    2.1001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5489    6.3000    0.0000 Cl  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  2 11  1  0  0  0  0
  4 12  1  0  0  0  0
 13 14  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
 15 20  1  0  0  0  0
 22 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
 22 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 29  1  0  0  0  0
 21 22  1  0  0  0  0
 15 21  1  0  0  0  0
 14 18  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (369)
7271

>  <Formula> (369)
C21H23Cl2N5O

>  <MolWeight> (369)
432.34622

>  <Cat> (369)
S0063

>  <Name> (369)
RG3039

>  <Synonyms> (369)
PF-06687859, PF 6687859, Quinazoline 495

>  <Target> (369)
DNA/RNA Synthesis

>  <Form> (369)
Free Base

>  <CAS> (369)
1005504-62-0

>  <URL> (369)
https://www.selleckchem.com/products/rg3039.html

$$$$

csChFnd80/03192410402D

 27 31  0  0  0  0  0  0  0  0999 V2000
    0.4446    8.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7947    3.9029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    0.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    4.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    2.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    4.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    5.4171    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
    6.5863    3.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5135    5.2659    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
    1.8797    4.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    6.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5567    6.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3404    6.3958    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
    6.3836    7.8279    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
    0.9446    5.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    7.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7754    7.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796    6.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8795    9.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 10  1  0  0  0  0
  2 12  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  9 13  1  0  0  0  0
  9 17  2  0  0  0  0
 12 18  2  0  0  0  0
 13 19  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (370)
7284

>  <Formula> (370)
C24H20N2O

>  <MolWeight> (370)
352.4284

>  <Cat> (370)
S0149

>  <Name> (370)
C-DIM5

>  <Synonyms> (370)
DIM-C-pPhOCH3

>  <Target> (370)
Apoptosis related,Nur77

>  <Form> (370)
Free Base

>  <CAS> (370)
33985-68-1

>  <URL> (370)
https://www.selleckchem.com/products/c-dim5.html

$$$$

csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    9.6995    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
    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
    2.4249    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
    1.2124    2.8000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 10  2  0  0  0  0
  3 11  2  0  0  0  0
  6  4  1  6  0  0  0
  4 11  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (371)
7306

>  <Formula> (371)
C13H14N2O3

>  <MolWeight> (371)
246.26186

>  <Cat> (371)
S0323

>  <Name> (371)
Antineoplaston A10

>  <Synonyms> (371)
N/A

>  <Target> (371)
Ras

>  <Form> (371)
Free Base

>  <CAS> (371)
91531-30-5

>  <URL> (371)
https://www.selleckchem.com/products/antineoplaston-a10.html

$$$$

csChFnd80/03192410402D

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.7886    1.9771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2052    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0918    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    5.9103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339    4.3312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    1.2052    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6293    3.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7604    5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2665    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5703    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6188    2.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9719    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2802    5.6404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0456    3.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1268    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6584    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0959    2.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    3.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912    6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    8.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1248    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 20  2  0  0  0  0
 14 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (372)
7310

>  <Formula> (372)
C16H11N3O3

>  <MolWeight> (372)
293.27684

>  <Cat> (372)
S0354

>  <Name> (372)
Alsterpaullone

>  <Synonyms> (372)
Alp, 9-Nitropaullone, NSC 705701

>  <Target> (372)
Apoptosis related,Caspase,CDK,GSK-3

>  <Form> (372)
Free Base

>  <CAS> (372)
237430-03-4

>  <URL> (372)
https://www.selleckchem.com/products/alsterpaullone.html

$$$$

csChFnd80/03192410402D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  3  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
    3.6331    4.8951    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    6.9951    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
    6.0580    4.8951    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    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
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>  <Mol_ID> (373)
7331

>  <Formula> (373)
C16H16N4

>  <MolWeight> (373)
264.32504

>  <Cat> (373)
S0771

>  <Name> (373)
BRD6989

>  <Synonyms> (373)
N/A

>  <Target> (373)
CDK,Interleukins

>  <Form> (373)
Free Base

>  <CAS> (373)
642008-81-9

>  <URL> (373)
https://www.selleckchem.com/products/brd6989.html

$$$$

csChFnd80/03192410402D

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  3 10  1  0  0  0  0
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M  END
>  <Mol_ID> (374)
7334

>  <Formula> (374)
C16H12ClNO

>  <MolWeight> (374)
269.72558

>  <Cat> (374)
S0780

>  <Name> (374)
Oncrasin-1

>  <Synonyms> (374)
N/A

>  <Target> (374)
DNA/RNA Synthesis,PKC

>  <Form> (374)
Free Base

>  <CAS> (374)
75629-57-1

>  <URL> (374)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (375)
7350

>  <Formula> (375)
C15H9NO3

>  <MolWeight> (375)
251.23686

>  <Cat> (375)
S0890

>  <Name> (375)
MLS000532223

>  <Synonyms> (375)
N/A

>  <Target> (375)
Rho

>  <Form> (375)
Free Base

>  <CAS> (375)
16616-39-0

>  <URL> (375)
https://www.selleckchem.com/products/mls000532223.html

$$$$

csChFnd80/03192410402D

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   17.2774    2.9876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (376)
7353

>  <Formula> (376)
C24H21F3N2O4S

>  <MolWeight> (376)
490.4947496

>  <Cat> (376)
S0978

>  <Name> (376)
TBOPP

>  <Synonyms> (376)
N/A

>  <Target> (376)
DOCK

>  <Form> (376)
Free Base

>  <CAS> (376)
1996629-79-8

>  <URL> (376)
https://www.selleckchem.com/products/tbopp.html

$$$$

csChFnd80/03192410402D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (377)
7359

>  <Formula> (377)
C22H31N9O

>  <MolWeight> (377)
437.54124

>  <Cat> (377)
S1272

>  <Name> (377)
XL228

>  <Synonyms> (377)
N/A

>  <Target> (377)
Aurora Kinase,Bcr-Abl,IGF-1R,Src

>  <Form> (377)
Free Base

>  <CAS> (377)
898280-07-4

>  <URL> (377)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/03192410402D

 44 48  0  0  0  0  0  0  0  0999 V2000
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    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
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (378)
7360

>  <Formula> (378)
C29H30O13

>  <MolWeight> (378)
586.5407

>  <Cat> (378)
S1273

>  <Name> (378)
Amarogentin

>  <Synonyms> (378)
AG

>  <Target> (378)
Akt,AMPK,Apoptosis related,PI3K,Taste Receptor,TNF-alpha

>  <Form> (378)
Free Base

>  <CAS> (378)
21018-84-8

>  <URL> (378)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/03192410402D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    5.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425    3.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6297    3.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9351    1.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    3.1790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    3.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    3.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7261    1.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (379)
7369

>  <Formula> (379)
C30H36Br2N4O2

>  <MolWeight> (379)
644.44044

>  <Cat> (379)
S2942

>  <Name> (379)
EB-3D

>  <Synonyms> (379)
N/A

>  <Target> (379)
AMPK,Apoptosis related,Choline kinase

>  <Form> (379)
Free Base

>  <CAS> (379)
1839150-63-8

>  <URL> (379)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/03192410402D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  3  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
    2.4248    5.6000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    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
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (380)
7388

>  <Formula> (380)
C10H18O

>  <MolWeight> (380)
154.24932

>  <Cat> (380)
S3009

>  <Name> (380)
Menthone

>  <Synonyms> (380)
N/A

>  <Target> (380)
DNA/RNA Synthesis

>  <Form> (380)
Free Base

>  <CAS> (380)
10458-14-7

>  <URL> (380)
https://www.selleckchem.com/products/menthone.html

$$$$

csChFnd80/03192410402D

  6  5  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <Mol_ID> (381)
7425

>  <Formula> (381)
C3H4O3

>  <MolWeight> (381)
88.06206

>  <Cat> (381)
S3143

>  <Name> (381)
Pyruvic acid

>  <Synonyms> (381)
Acetylformic acid

>  <Target> (381)
ATPase,Casein Kinase,LDH

>  <Form> (381)
Free Base

>  <CAS> (381)
127-17-3

>  <URL> (381)
https://www.selleckchem.com/products/pyruvic-acid.html

$$$$

csChFnd80/03192410402D

  8  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    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
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (382)
7478

>  <Formula> (382)
C2H5O5P

>  <MolWeight> (382)
140.031861

>  <Cat> (382)
S3356

>  <Name> (382)
Phosphonoacetic acid

>  <Synonyms> (382)
PAA

>  <Target> (382)
Antiviral,DNA/RNA Synthesis

>  <Form> (382)
Free Base

>  <CAS> (382)
4408-78-0

>  <URL> (382)
https://www.selleckchem.com/products/phosphonoacetic-acid.html

$$$$

csChFnd80/03192410402D

 28 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.7049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0706    8.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    8.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    7.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   10.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (383)
7481

>  <Formula> (383)
C24H38O4

>  <MolWeight> (383)
390.55612

>  <Cat> (383)
S3360

>  <Name> (383)
Bis(2-ethylhexyl) phthalate

>  <Synonyms> (383)
Dioctyl phthalate, DOP, Diplast O, ESBO-D 82, Ergoplast FDO, Ergoplast FDO-S, Etalon

>  <Target> (383)
DNA/RNA Synthesis

>  <Form> (383)
Phthalate

>  <CAS> (383)
117-81-7

>  <URL> (383)
https://www.selleckchem.com/products/bis-2-ethylhexyl-phthalate.html

$$$$

csChFnd80/03192410402D

 28 33  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.8000    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
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   10.0736    8.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 17 10  1  0  0  0  0
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 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 20  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (384)
7515

>  <Formula> (384)
C22H14FN5

>  <MolWeight> (384)
367.3784632

>  <Cat> (384)
S6963

>  <Name> (384)
APTO-253

>  <Synonyms> (384)
LOR-253, LT-253

>  <Target> (384)
Apoptosis related,KLF,Myc,p21

>  <Form> (384)
Free Base

>  <CAS> (384)
916151-99-0

>  <URL> (384)
https://www.selleckchem.com/products/apto-253.html

$$$$

csChFnd80/03192410402D

 60 65  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (385)
7523

>  <Formula> (385)
C40H52N8O10S2

>  <MolWeight> (385)
869.01848

>  <Cat> (385)
S8979

>  <Name> (385)
THAL-SNS-032

>  <Synonyms> (385)
N/A

>  <Target> (385)
CDK,E3 Ligase ,PROTAC

>  <Form> (385)
Free Base

>  <CAS> (385)
2139287-33-3

>  <URL> (385)
https://www.selleckchem.com/products/thal-sns-032.html

$$$$

csChFnd80/03192410402D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (386)
7538

>  <Formula> (386)
C19H11F4N3OS2

>  <MolWeight> (386)
437.4337528

>  <Cat> (386)
S9689

>  <Name> (386)
FDI-6

>  <Synonyms> (386)
NCGC00099374

>  <Target> (386)
FOXM1

>  <Form> (386)
Free Base

>  <CAS> (386)
313380-27-7

>  <URL> (386)
https://www.selleckchem.com/products/fdi-6.html

$$$$

csChFnd80/03192410402D

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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 23 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
>  <Mol_ID> (387)
7539

>  <Formula> (387)
C20H14ClNO2S

>  <MolWeight> (387)
367.84866

>  <Cat> (387)
S9695

>  <Name> (387)
iHAP1

>  <Synonyms> (387)
N/A

>  <Target> (387)
Microtubule Associated

>  <Form> (387)
Free Base

>  <CAS> (387)
105925-39-1

>  <URL> (387)
https://www.selleckchem.com/products/ihap1.html

$$$$

csChFnd80/03192410402D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.6350    4.2508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6350    2.8279    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 21 19  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 24  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (388)
7545

>  <Formula> (388)
C19H32N4O11

>  <MolWeight> (388)
492.47758

>  <Cat> (388)
S9709

>  <Name> (388)
Muramyl dipeptide

>  <Synonyms> (388)
MDP

>  <Target> (388)
RUNX

>  <Form> (388)
Free Base

>  <CAS> (388)
53678-77-6

>  <URL> (388)
https://www.selleckchem.com/products/muramyl-dipeptide.html

$$$$

csChFnd80/03192410402D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1889    5.2023    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  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  3 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  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
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 22 17  1  0  0  0  0
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 25 23  1  0  0  0  0
M  END
>  <Mol_ID> (389)
7548

>  <Formula> (389)
C19H15Cl2NO3

>  <MolWeight> (389)
376.2333

>  <Cat> (389)
S9718

>  <Name> (389)
TK216

>  <Synonyms> (389)
ONCT 216, SPH-8216

>  <Target> (389)
DNA/RNA Synthesis

>  <Form> (389)
Free Base

>  <CAS> (389)
1903783-48-1

>  <URL> (389)
https://www.selleckchem.com/products/tk216.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  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
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 12 17  2  0  0  0  0
 11 12  1  0  0  0  0
 15 18  1  0  0  0  0
  8 11  1  0  0  0  0
  1 10  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 23 24  1  0  0  0  0
 27 30  1  0  0  0  0
 20 23  1  0  0  0  0
  4 22  1  0  0  0  0
M  END
>  <Mol_ID> (390)
7629

>  <Formula> (390)
C22H24Cl2N2O4

>  <MolWeight> (390)
451.34296

>  <Cat> (390)
S0706

>  <Name> (390)
ISRIB

>  <Synonyms> (390)
N/A

>  <Target> (390)
eIF

>  <Form> (390)
Free Base

>  <CAS> (390)
548470-11-7

>  <URL> (390)
http://www.selleckchem.com/products/isrib.html

$$$$

csChFnd80/03192410402D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   15.8647    6.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
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 18 22  1  0  0  0  0
 19 21  1  0  0  0  0
 22 29  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 31  1  0  0  0  0
 28 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (391)
7633

>  <Formula> (391)
C24H29N7O2

>  <MolWeight> (391)
447.53276

>  <Cat> (391)
S4482

>  <Name> (391)
Palbociclib

>  <Synonyms> (391)
Ibrance, PD 0332991

>  <Target> (391)
CDK

>  <Form> (391)
Free Base

>  <CAS> (391)
571190-30-2

>  <URL> (391)
http://www.selleckchem.com/products/palbociclib.html

$$$$

csChFnd80/03192410402D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0976    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
  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
  5  8  1  0  0  0  0
  8  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
  7 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
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 25  2  0  0  0  0
 13 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
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (392)
7675

>  <Formula> (392)
C25H24N2O4

>  <MolWeight> (392)
416.46906

>  <Cat> (392)
S9807

>  <Name> (392)
EN4

>  <Synonyms> (392)
N/A

>  <Target> (392)
Myc

>  <Form> (392)
Free Base

>  <CAS> (392)
1197824-15-9

>  <URL> (392)
http://www.selleckchem.com/products/en4.html

$$$$

csChFnd80/03192410402D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.9738    0.1529    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    5.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 29  1  0  0  0  0
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  6 27  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  2  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 22  1  0  0  0  0
  9 30  1  0  0  0  0
 10 30  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
>  <Mol_ID> (393)
7678

>  <Formula> (393)
C23H31ClN8O

>  <MolWeight> (393)
470.99824

>  <Cat> (393)
S5187

>  <Name> (393)
Ribociclib hydrochloride

>  <Synonyms> (393)
LEE011 hydrochloride

>  <Target> (393)
CDK

>  <Form> (393)
Hydrochloride

>  <CAS> (393)
1211443-80-9

>  <URL> (393)
http://www.selleckchem.com/products/ribociclib-hydrochloride.html

$$$$

csChFnd80/03192410402D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8778    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.0730    4.1355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    3.3869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1742    6.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4978    4.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4978    5.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7103    6.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4428    5.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  2  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
 12  4  1  6  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6 22  2  0  0  0  0
  7 21  2  0  0  0  0
  7 27  1  0  0  0  0
  8 24  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 25  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (394)
7690

>  <Formula> (394)
C20H19ClN6O

>  <MolWeight> (394)
394.85746

>  <Cat> (394)
S8988

>  <Name> (394)
Rhosin hydrochloride

>  <Synonyms> (394)
G04 hydrochloride, Rhosin HCl

>  <Target> (394)
Apoptosis related,Rho

>  <Form> (394)
Hydrochloride

>  <CAS> (394)
1281870-42-5

>  <URL> (394)
http://www.selleckchem.com/products/rhosin-hydrochloride.html

$$$$

csChFnd80/03192410402D

 40 43  0  0  0  0  0  0  0  0999 V2000
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    1.2124   11.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5540    9.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4539   10.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2127    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7878    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4 39  2  0  0  0  0
  5 40  2  0  0  0  0
  6 14  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 20  2  0  0  0  0
  7 25  1  0  0  0  0
  8 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  2  0  0  0  0
 10 26  1  0  0  0  0
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 10 32  1  0  0  0  0
 11 25  1  0  0  0  0
 11 33  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 33  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 36  1  0  0  0  0
 34 36  2  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (395)
7708

>  <Formula> (395)
C27H36N8O5

>  <MolWeight> (395)
552.62534

>  <Cat> (395)
S5188

>  <Name> (395)
Ribociclib succinate

>  <Synonyms> (395)
LEE011 succinate, Kisqali

>  <Target> (395)
CDK

>  <Form> (395)
Succinate

>  <CAS> (395)
1374639-75-4

>  <URL> (395)
http://www.selleckchem.com/products/ribociclib-succinate.html

$$$$

csChFnd80/03192410402D

 36 41  0  0  0  0  0  0  0  0999 V2000
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    8.5994    4.7455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.4721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.6721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.2721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    7.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    8.6721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    7.2721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5994    6.9988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8165    5.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8392    9.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5343   10.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9165    7.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6165    5.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    1.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  6  0  0  0
  6  2  1  1  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 34  1  0  0  0  0
 27 35  2  0  0  0  0
 28 32  2  0  0  0  0
 29 32  1  0  0  0  0
 30 33  2  0  0  0  0
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 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (396)
7718

>  <Formula> (396)
C31H30N4O

>  <MolWeight> (396)
474.5961

>  <Cat> (396)
S3472

>  <Name> (396)
Metarrestin (ML246)

>  <Synonyms> (396)
N/A

>  <Target> (396)
DNA/RNA Synthesis

>  <Form> (396)
Free Base

>  <CAS> (396)
1443414-10-5

>  <URL> (396)
http://www.selleckchem.com/products/metarrestin.html

$$$$

csChFnd80/03192410402D

 17 15  0  0  0  0  0  0  0  0999 V2000
    5.4880    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8831    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4880    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6997    4.7678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.7678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    6.8678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    5.4678    0.0000 C   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  2  0  0  0  0
  1  5  2  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 17  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (397)
7727

>  <Formula> (397)
C8H22N4O4S

>  <MolWeight> (397)
270.34968

>  <Cat> (397)
S2961

>  <Name> (397)
GC7 Sulfate

>  <Synonyms> (397)
N1-guanyl-1,7-diaminoheptane Sulfate

>  <Target> (397)
DNA/RNA Synthesis,eIF,p21

>  <Form> (397)
Sulfate

>  <CAS> (397)
150417-90-6

>  <URL> (397)
http://www.selleckchem.com/products/gc7-sulfate.html

$$$$

csChFnd80/03192410402D

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.0453    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6246    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8017    3.5921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.2546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.9522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7496    7.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    6.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    8.7473    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    9.4449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2328    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 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
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
  7 24  1  0  0  0  0
M  END
>  <Mol_ID> (398)
7743

>  <Formula> (398)
C14H12ClN3O4S2

>  <MolWeight> (398)
385.84578

>  <Cat> (398)
S9742

>  <Name> (398)
Indisulam

>  <Synonyms> (398)
E7070

>  <Target> (398)
Carbonic Anhydrase,CDK

>  <Form> (398)
Free Base

>  <CAS> (398)
165668-41-7

>  <URL> (398)
http://www.selleckchem.com/products/indisulam.html

$$$$

csChFnd80/03192410402D

 47 50  0  0  0  0  0  0  0  0999 V2000
   20.1392   16.5294    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3380    7.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5809    0.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4198    7.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5091   16.8180    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.8505   17.8993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4278   15.1594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9197   10.0515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5295   13.2904    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.5504    5.0553    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.8516    2.9457    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.3605    1.4971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.1150    8.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4849    8.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2896   10.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7246   11.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.8602   12.8556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1988   13.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3343   14.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7693   16.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1148    2.2553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    2.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2485    5.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3380    4.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1 42  1  0  0  0  0
 17  2  1  6  0  0  0
 21  3  1  6  0  0  0
 30  4  1  6  0  0  0
  5 34  2  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 25  1  1  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  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 24  1  0  0  0  0
 15 28  1  1  0  0  0
 16 22  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 29  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  6  0  0  0
 27 30  1  0  0  0  0
 29 30  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 14 43  1  6  0  0  0
 12 44  1  6  0  0  0
 16 45  1  6  0  0  0
 19 46  1  1  0  0  0
 13 47  1  1  0  0  0
M  END
>  <Mol_ID> (399)
7779

>  <Formula> (399)
C32H58N2O7S

>  <MolWeight> (399)
614.87712

>  <Cat> (399)
S6997

>  <Name> (399)
CHAPS

>  <Synonyms> (399)
N/A

>  <Target> (399)
DNA/RNA Synthesis

>  <Form> (399)
Free Base

>  <CAS> (399)
75621-03-3

>  <URL> (399)
http://www.selleckchem.com/products/chaps.html

$$$$

csChFnd80/03192410402D

 21 22  0  0  0  0  0  0  0  0999 V2000
    7.2744    4.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8496    4.8998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4869    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1241    2.1001    0.0000 Cl  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
  2  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  2  0  0  0  0
  9 10  1  0  0  0  0
  5 10  2  0  0  0  0
  8 11  1  0  0  0  0
  4  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (400)
7793

>  <Formula> (400)
C13H9ClFN3O3

>  <MolWeight> (400)
309.6802632

>  <Cat> (400)
S9806

>  <Name> (400)
DTHIB

>  <Synonyms> (400)
N/A

>  <Target> (400)
HSP (HSP90)

>  <Form> (400)
Free Base

>  <CAS> (400)
897326-30-6

>  <URL> (400)
http://www.selleckchem.com/products/dthib.html

$$$$

csChFnd80/03192410402D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.1312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.0930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    2.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585    2.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    2.9224    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974    3.9076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.0320    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1719    1.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    4.3224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1631    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0232    3.6224    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  2  0  0  0  0
M  END
>  <Mol_ID> (401)
7806

>  <Formula> (401)
C5H10N2O7P2

>  <MolWeight> (401)
272.089622

>  <Cat> (401)
S1314

>  <Name> (401)
Zoledronic acid (ZOL 446)

>  <Synonyms> (401)
ZA, Zoledronate, CGP-4244, GP42446A, ZOL 446, Zometa, Zomera, Aclasta, Reclast

>  <Target> (401)
Apoptosis related,Autophagy,Ras,Rho

>  <Form> (401)
Free Base

>  <CAS> (401)
118072-93-8

>  <URL> (401)
http://www.selleckchem.com/products/Zoledronic-Acid.html

$$$$

csChFnd80/03192410402D

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.4462    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.5271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    2.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    0.2797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2333    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5723    1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (402)
7817

>  <Formula> (402)
C5H4N4

>  <MolWeight> (402)
120.11206

>  <Cat> (402)
S6359

>  <Name> (402)
Purine

>  <Synonyms> (402)
N/A

>  <Target> (402)
DNA/RNA Synthesis

>  <Form> (402)
Free Base

>  <CAS> (402)
120-73-0

>  <URL> (402)
https://www.selleckchem.com/products/purine.html

$$$$

csChFnd80/03192410402D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.7877    7.5304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    7.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8556    6.6057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9330    5.5700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6407    6.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    6.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142    6.1423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    4.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323    4.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7049    3.8386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6212    3.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2916    1.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6907    1.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0243    3.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7161    9.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1014    9.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6837   10.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8619   11.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4569   11.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717   10.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4391   12.9470    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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  5  1  0  0  0  0
 10  5  1  0  0  0  0
  6 11  2  0  0  0  0
 10 12  2  0  0  0  0
  8 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
  4 14  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (403)
7830

>  <Formula> (403)
C19H13Cl2N3O2S

>  <MolWeight> (403)
418.29642

>  <Cat> (403)
S9775

>  <Name> (403)
SCR130

>  <Synonyms> (403)
N/A

>  <Target> (403)
DNA/RNA Synthesis

>  <Form> (403)
Free Base

>  <CAS> (403)
2377858-38-1

>  <URL> (403)
http://www.selleckchem.com/products/scr130.html

$$$$

csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2720    3.9869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1282    3.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1282    1.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2107    0.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165    2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4891    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    1.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3623    6.9769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3916    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0595    4.6869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
  2 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  1  0  0  0
M  END
>  <Mol_ID> (404)
7839

>  <Formula> (404)
C15H16O3

>  <MolWeight> (404)
244.28574

>  <Cat> (404)
E0011

>  <Name> (404)
Linderalactone

>  <Synonyms> (404)
N/A

>  <Target> (404)
Bcl-2,JAK,STAT

>  <Form> (404)
Free Base

>  <CAS> (404)
728-61-0

>  <URL> (404)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/03192410402D

 28 29  0  0  0  0  0  0  0  0999 V2000
    8.4871    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (405)
7856

>  <Formula> (405)
C19H24N4O4S

>  <MolWeight> (405)
404.48326

>  <Cat> (405)
S0187

>  <Name> (405)
M2I-1

>  <Synonyms> (405)
N/A

>  <Target> (405)
Mad2

>  <Form> (405)
Free Base

>  <CAS> (405)
312271-03-7

>  <URL> (405)
http://www.selleckchem.com/products/m2i-1.html

$$$$

csChFnd80/03192410402D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (406)
7865

>  <Formula> (406)
C24H15F2N3

>  <MolWeight> (406)
383.3928064

>  <Cat> (406)
S0350

>  <Name> (406)
CK1-IN-1

>  <Synonyms> (406)
PUN51207, Compound 1C

>  <Target> (406)
Casein Kinase

>  <Form> (406)
Free Base

>  <CAS> (406)
1784751-20-7

>  <URL> (406)
http://www.selleckchem.com/products/ck1-in-1.html

$$$$

csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
7876

>  <Formula> (407)
C18H13ClN2O2

>  <MolWeight> (407)
324.76102

>  <Cat> (407)
S0899

>  <Name> (407)
CPYPP

>  <Synonyms> (407)
N/A

>  <Target> (407)
DOCK

>  <Form> (407)
Free Base

>  <CAS> (407)
310460-39-0

>  <URL> (407)
http://www.selleckchem.com/products/cpypp.html

$$$$

csChFnd80/03192410402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (408)
7882

>  <Formula> (408)
C20H22N4O2

>  <MolWeight> (408)
350.41428

>  <Cat> (408)
S1976

>  <Name> (408)
LCH-7749944

>  <Synonyms> (408)
GNF-PF-2356

>  <Target> (408)
PAK

>  <Form> (408)
Free Base

>  <CAS> (408)
796888-12-5

>  <URL> (408)
http://www.selleckchem.com/products/lch-7749944.html

$$$$

csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (409)
7891

>  <Formula> (409)
C14H15NO2S2

>  <MolWeight> (409)
293.4044

>  <Cat> (409)
S3549

>  <Name> (409)
PFM01

>  <Synonyms> (409)
N/A

>  <Target> (409)
DNA/RNA Synthesis

>  <Form> (409)
Free Base

>  <CAS> (409)
1558598-41-6

>  <URL> (409)
http://www.selleckchem.com/products/pfm01.html

$$$$

csChFnd80/03192410402D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   13.5937    8.6394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5317    5.1394    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2527    5.7088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7083    3.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4256    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7571    3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7975    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5064    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1750    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    1.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5469    0.0000    0.0000 Br  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
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  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
 16 21  2  0  0  0  0
 22 23  1  0  0  0  0
 18 22  1  0  0  0  0
 13 16  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 27 30  1  0  0  0  0
 15 24  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
>  <Mol_ID> (410)
7905

>  <Formula> (410)
C22H20BrN3O3S

>  <MolWeight> (410)
486.3815

>  <Cat> (410)
S6000

>  <Name> (410)
CID44216842

>  <Synonyms> (410)
Cdc42-IN-1

>  <Target> (410)
Rho

>  <Form> (410)
Free Base

>  <CAS> (410)
1222513-26-9

>  <URL> (410)
http://www.selleckchem.com/products/cid44216842.html

$$$$

csChFnd80/03192410402D

 28 31  0  0  0  0  0  0  0  0999 V2000
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    7.3698    6.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    5.6563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    5.7049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.2196    6.4046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 21  1  0  0  0  0
  2 15  1  0  0  0  0
  2 24  1  0  0  0  0
  3 19  1  0  0  0  0
  3 24  1  0  0  0  0
  4 11  1  0  0  0  0
  5 17  2  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7 16  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 15  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  2  0  0  0  0
 15 19  2  0  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 18 25  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (411)
7911

>  <Formula> (411)
C21H19ClN2O4

>  <MolWeight> (411)
398.83956

>  <Cat> (411)
S6193

>  <Name> (411)
YUM70

>  <Synonyms> (411)
N/A

>  <Target> (411)
HSP (HSP90)

>  <Form> (411)
Free Base

>  <CAS> (411)
423145-35-1

>  <URL> (411)
http://www.selleckchem.com/products/yum70.html

$$$$

csChFnd80/03192410402D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0673    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.2593    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 15  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 13  1  0  0  0  0
  8 22  2  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  6  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (412)
7912

>  <Formula> (412)
C16H23Cl2N3O2S

>  <MolWeight> (412)
392.34372

>  <Cat> (412)
S6214

>  <Name> (412)
H-1152 dihydrochloride

>  <Synonyms> (412)
H-1152 2HCl

>  <Target> (412)
Aurora Kinase,CaMK,PKA,PKC,PKG,ROCK

>  <Form> (412)
Dihydrochloride

>  <CAS> (412)
871543-07-6

>  <URL> (412)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   11.2018    2.4246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  2  0  0  0  0
 11  2  1  1  0  0  0
  3 12  1  0  0  0  0
  3 14  1  0  0  0  0
  4 17  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  1  0  0  0
 11 13  1  0  0  0  0
 14 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (413)
7921

>  <Formula> (413)
C14H21N3O

>  <MolWeight> (413)
247.33604

>  <Cat> (413)
S6390

>  <Name> (413)
Y-27632

>  <Synonyms> (413)
N/A

>  <Target> (413)
ROCK

>  <Form> (413)
Free Base

>  <CAS> (413)
146986-50-7

>  <URL> (413)
https://www.selleckchem.com/products/y-27632-rock.html

$$$$

csChFnd80/03192410402D

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.7027    1.0439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1489    7.2170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    5.8806    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.6743    5.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1404    2.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0059    0.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1201    6.3784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4436    1.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6583    4.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830    7.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4613    3.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5108    2.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6355    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15 22  2  0  0  0  0
  2  3  1  0  0  0  0
  5 10  2  0  0  0  0
  2 11  1  0  0  0  0
  6  1  2  0  0  0  0
 21  5  1  0  0  0  0
 11 18  1  0  0  0  0
  1 19  1  0  0  0  0
 12 18  1  0  0  0  0
 22  6  1  0  0  0  0
 20 14  1  0  0  0  0
 14 15  1  0  0  0  0
 19  7  2  0  0  0  0
  9  7  1  0  0  0  0
  8 21  1  0  0  0  0
  8 23  1  0  0  0  0
  6 16  1  0  0  0  0
 16  9  2  0  0  0  0
 22 10  1  0  0  0  0
 14 21  2  0  0  0  0
  4 13  1  0  0  0  0
 17  4  1  0  0  0  0
  3 17  1  0  0  0  0
 23 20  2  0  0  0  0
 20 13  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
>  <Mol_ID> (414)
7925

>  <Formula> (414)
C20H22N2O

>  <MolWeight> (414)
306.40148

>  <Cat> (414)
S6875

>  <Name> (414)
CASIN

>  <Synonyms> (414)
Pirl1-related Compound 2

>  <Target> (414)
Rho

>  <Form> (414)
Free Base

>  <CAS> (414)
425399-05-9

>  <URL> (414)
http://www.selleckchem.com/products/casin.html

$$$$

csChFnd80/03192410402D

 36 39  0  0  0  0  0  0  0  0999 V2000
    3.5575    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 35  1  0  0  0  0
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M  END
>  <Mol_ID> (415)
7927

>  <Formula> (415)
C26H39N7O3

>  <MolWeight> (415)
497.63296

>  <Cat> (415)
S6884

>  <Name> (415)
LY3405105

>  <Synonyms> (415)
N/A

>  <Target> (415)
CDK

>  <Form> (415)
Free Base

>  <CAS> (415)
2326428-25-3

>  <URL> (415)
http://www.selleckchem.com/products/ly3405105.html

$$$$

csChFnd80/03192410402D

 33 35  0  0  0  0  0  0  0  0999 V2000
   11.0331    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 22 15  1  0  0  0  0
 18 33  1  0  0  0  0
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  7 16  1  0  0  0  0
 25 23  1  0  0  0  0
  9 11  1  0  0  0  0
 10 29  1  0  0  0  0
 24  4  1  0  0  0  0
 29 15  1  0  0  0  0
  6 16  1  0  0  0  0
 32  3  2  0  0  0  0
 28 33  1  0  0  0  0
 26 30  1  0  0  0  0
 24 27  2  0  0  0  0
  9 25  1  6  0  0  0
  7 12  1  0  0  0  0
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 10  2  1  0  0  0  0
 21 31  1  0  0  0  0
 13  3  1  0  0  0  0
  8 27  1  0  0  0  0
 17  8  2  0  0  0  0
 17  1  1  0  0  0  0
 20 31  2  0  0  0  0
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M  END
>  <Mol_ID> (416)
7929

>  <Formula> (416)
C20H25N7O6

>  <MolWeight> (416)
459.4558

>  <Cat> (416)
S6909

>  <Name> (416)
Levomefolic acid

>  <Synonyms> (416)
5-MTHF, LMSR, Metafolin, Nutrifolin

>  <Target> (416)
DNA/RNA Synthesis

>  <Form> (416)
Free Base

>  <CAS> (416)
31690-09-2

>  <URL> (416)
http://www.selleckchem.com/products/levomefolic-acid.html

$$$$

csChFnd80/03192410402D

 27 30  0  0  0  0  0  0  0  0999 V2000
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  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
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 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
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M  END
>  <Mol_ID> (417)
7934

>  <Formula> (417)
C20H11Cl2NO4

>  <MolWeight> (417)
400.21164

>  <Cat> (417)
S6953

>  <Name> (417)
GW406108X

>  <Synonyms> (417)
GW108X

>  <Target> (417)
Kinesin

>  <Form> (417)
Free Base

>  <CAS> (417)
1644443-92-4

>  <URL> (417)
http://www.selleckchem.com/products/gw406108x.html

$$$$

csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  8 14  2  0  0  0  0
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  9 12  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 17  2  0  0  0  0
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 19 21  2  0  0  0  0
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M  END
>  <Mol_ID> (418)
7935

>  <Formula> (418)
C17H16BrNO3S

>  <MolWeight> (418)
394.28284

>  <Cat> (418)
S6954

>  <Name> (418)
CK-869

>  <Synonyms> (418)
CK 0157869

>  <Target> (418)
Microtubule Associated

>  <Form> (418)
Free Base

>  <CAS> (418)
388592-44-7

>  <URL> (418)
http://www.selleckchem.com/products/ck-869.html

$$$$

csChFnd80/03192410402D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (419)
7946

>  <Formula> (419)
C26H25F2N7O6S2

>  <MolWeight> (419)
633.6468064

>  <Cat> (419)
S7837

>  <Name> (419)
Centrinone (LCR-263)

>  <Target> (419)
PLK

>  <Form> (419)
Free Base

>  <CAS> (419)
1798871-30-3

>  <URL> (419)
http://www.selleckchem.com/products/centrinone.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (420)
7949

>  <Formula> (420)
C22H21ClN4O4

>  <MolWeight> (420)
440.87954

>  <Cat> (420)
S8300

>  <Name> (420)
CC-885

>  <Synonyms> (420)
N/A

>  <Target> (420)
E3 Ligase 

>  <Form> (420)
Free Base

>  <CAS> (420)
1010100-07-8

>  <URL> (420)
http://www.selleckchem.com/products/cc-885.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (421)
7960

>  <Formula> (421)
C40H49ClN8O8S

>  <MolWeight> (421)
837.38386

>  <Cat> (421)
S9859

>  <Name> (421)
BSJ-4-116

>  <Synonyms> (421)
N/A

>  <Target> (421)
CDK

>  <Form> (421)
Free Base

>  <CAS> (421)
2519823-34-6

>  <URL> (421)
http://www.selleckchem.com/products/bsj-4-116.html

$$$$

csChFnd80/03192410402D

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    1.1459    3.1710    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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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
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M  END
>  <Mol_ID> (422)
7964

>  <Formula> (422)
C12H9BrN2OS

>  <MolWeight> (422)
309.18166

>  <Cat> (422)
S9871

>  <Name> (422)
BTYNB

>  <Synonyms> (422)
BTYNB IMP1 Inhibitor, MDK6620

>  <Target> (422)
Myc,NF-¦ÊB

>  <Form> (422)
Free Base

>  <CAS> (422)
304456-62-0

>  <URL> (422)
http://www.selleckchem.com/products/btynb.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (423)
7967

>  <Formula> (423)
C39H40N10O7

>  <MolWeight> (423)
760.7977

>  <Cat> (423)
S9880

>  <Name> (423)
MS140

>  <Synonyms> (423)
N/A

>  <Target> (423)
CDK

>  <Form> (423)
Free Base

>  <CAS> (423)
2229974-83-6

>  <URL> (423)
http://www.selleckchem.com/products/ms140.html

$$$$

csChFnd80/03192410402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
7982

>  <Formula> (424)
C20H12F3N3

>  <MolWeight> (424)
351.3245896

>  <Cat> (424)
S0186

>  <Name> (424)
TA-01

>  <Synonyms> (424)
N/A

>  <Target> (424)
Casein Kinase,p38 MAPK

>  <Form> (424)
Free Base

>  <CAS> (424)
1784751-18-3

>  <URL> (424)
http://www.selleckchem.com/products/ta-01.html

$$$$

csChFnd80/03192410402D

 14 14  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (425)
8009

>  <Formula> (425)
C9H7NO3S

>  <MolWeight> (425)
209.22178

>  <Cat> (425)
E0362

>  <Name> (425)
BiP Inducer X (BIX)

>  <Synonyms> (425)
N/A

>  <Target> (425)
HSP (HSP90)

>  <Form> (425)
Free Base

>  <CAS> (425)
101714-41-4

>  <URL> (425)
http://www.selleckchem.com/products/bip-inducer-x-bix.html

$$$$

csChFnd80/03192410402D

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  2  3  1  0  0  0  0
  3  1  1  6  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  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 18  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 21 30  2  0  0  0  0
 25 30  1  0  0  0  0
 24 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 27  1  0  0  0  0
 19 20  1  0  0  0  0
 15 19  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
>  <Mol_ID> (426)
8014

>  <Formula> (426)
C19H20N8O5

>  <MolWeight> (426)
440.4127

>  <Cat> (426)
E1003

>  <Name> (426)
Aminopterin

>  <Synonyms> (426)
4-amino Folic Acid, 4-amino PGA, 4-Aminofolic acid, 4-Aminopteroylglutamic acid, Aminopteroylglutamic acid, APGA, NSC 739

>  <Target> (426)
DHFR

>  <Form> (426)
Free Base

>  <CAS> (426)
54-62-6

>  <URL> (426)
http://www.selleckchem.com/products/aminopterin.html

$$$$

csChFnd80/03192410402D

 39 43  0  0  0  0  0  0  0  0999 V2000
   12.8443    6.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4520    6.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7055    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0977    3.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9207    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3129    2.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8823    4.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0595    5.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6672    5.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6291    7.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360    2.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7437    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1743    1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3895    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9589    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0491    3.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0087    2.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2593    0.1546    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   16.1359    1.8643    0.0000 Br  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  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  2 11  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
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 12 17  2  0  0  0  0
  4 12  1  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  1  0  0  0  0
 18 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 28 29  1  0  0  0  0
 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
 27 30  1  0  0  0  0
 25 27  1  0  0  0  0
 18 23  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
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 35 38  1  0  0  0  0
 22 32  1  0  0  0  0
  3 20  1  0  0  0  0
  7 39  1  0  0  0  0
M  END
>  <Mol_ID> (427)
8017

>  <Formula> (427)
C31H30Br2N4O2

>  <MolWeight> (427)
650.4035

>  <Cat> (427)
E1030

>  <Name> (427)
CCT020312

>  <Synonyms> (427)
N/A

>  <Target> (427)
PERK

>  <Form> (427)
Free Base

>  <CAS> (427)
324759-76-4

>  <URL> (427)
http://www.selleckchem.com/products/cct020312.html

$$$$

csChFnd80/03192410402D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  6  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 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
  8 16  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 17  1  0  0  0  0
 22 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
 22 27  2  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 21 23  1  0  0  0  0
 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
  3  7  1  1  0  0  0
M  END
>  <Mol_ID> (428)
8071

>  <Formula> (428)
C21H31N7O

>  <MolWeight> (428)
397.51714

>  <Cat> (428)
S7371

>  <Name> (428)
Fadraciclib (CYC065)

>  <Synonyms> (428)
N/A

>  <Target> (428)
CDK

>  <Form> (428)
Free Base

>  <CAS> (428)
1070790-89-4

>  <URL> (428)
http://www.selleckchem.com/products/fadraciclib.html

$$$$

csChFnd80/03192410402D

 25 27  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 10 14  2  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 21 22  1  0  0  0  0
 12 21  1  0  0  0  0
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  4  8  1  0  0  0  0
 23 24  1  0  0  0  0
  2 23  1  0  0  0  0
  5 25  1  0  0  0  0
M  END
>  <Mol_ID> (429)
8085

>  <Formula> (429)
C17H15BrN4O2S

>  <MolWeight> (429)
419.2956

>  <Cat> (429)
S9850

>  <Name> (429)
(E/Z)-GO289

>  <Synonyms> (429)
N/A

>  <Target> (429)
Casein Kinase

>  <Form> (429)
Free Base

>  <CAS> (429)
694522-87-7

>  <URL> (429)
http://www.selleckchem.com/products/e-z-go289.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 16 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (430)
8133

>  <Formula> (430)
C18H18N2O4S2

>  <MolWeight> (430)
390.47652

>  <Cat> (430)
E0135

>  <Name> (430)
CID-1067700

>  <Synonyms> (430)
ML282

>  <Target> (430)
Ras

>  <Form> (430)
Free Base

>  <CAS> (430)
314042-01-8

>  <URL> (430)
http://www.selleckchem.com/products/cid-1067700.html

$$$$

csChFnd80/03192410402D

 29 30  0  0  0  0  0  0  0  0999 V2000
    9.5568    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4105    5.3269    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852    0.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6321    6.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918    7.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8828    9.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2603    7.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2143    9.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8424   10.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5778    3.2916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2778    4.5040    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2085    3.5826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.5444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0621    4.9750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7105    2.4687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5641    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9894    3.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6967    0.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1220    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9757    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4315    1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  6  0  0  0
 19  2  1  1  0  0  0
  3 24  2  0  0  0  0
  4  5  1  0  0  0  0
 21  4  1  1  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 22 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 23  1  6  0  0  0
 18 29  1  1  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (431)
8179

>  <Formula> (431)
C18H26FN3O6

>  <MolWeight> (431)
399.4139432

>  <Cat> (431)
E0097

>  <Name> (431)
Mericitabine

>  <Synonyms> (431)
RG 7128, R-7128, PSI 6130 diisobutyrate

>  <Target> (431)
HCV Protease

>  <Form> (431)
free base

>  <CAS> (431)
940908-79-2

>  <URL> (431)
http://www.selleckchem.com/products/mericitabine.html

$$$$

csChFnd80/03192410402D

 18 18  0  0  0  0  0  0  0  0999 V2000
    5.5942    2.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027    2.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3178    3.6028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2538    1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5388    3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748    1.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7295    3.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097    4.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0183    4.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575    1.1557    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5222    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1353    3.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0633    1.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3973    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3994    2.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7967    2.3113    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    6.3859    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  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
  3  9  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (432)
8220

>  <Formula> (432)
C11H15Cl2N5

>  <MolWeight> (432)
288.1763

>  <Cat> (432)
S0320

>  <Name> (432)
Cycloguanil hydrochloride

>  <Target> (432)
Anti-infection

>  <Form> (432)
hydrochloride

>  <CAS> (432)
152-53-4

>  <URL> (432)
http://www.selleckchem.com/products/cycloguanil-hydrochloride.html

$$$$

csChFnd80/03192410402D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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  3  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    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
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 18  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (433)
8238

>  <Formula> (433)
C13H14N2O3

>  <MolWeight> (433)
246.26186

>  <Cat> (433)
S0730

>  <Name> (433)
(Rac)-Antineoplaston A10

>  <Synonyms> (433)
N/A

>  <Target> (433)
Ras

>  <Form> (433)
free base

>  <CAS> (433)
77658-84-5

>  <URL> (433)
http://www.selleckchem.com/products/-rac--antineoplaston-a10.html

$$$$

csChFnd80/03192410402D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 O   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
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    5.8674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6062    8.1327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0387    9.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1020   10.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4082    9.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    2.4250    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 N   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
  1  5  1  0  0  0  0
  3  6  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 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
  8 16  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 10 17  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
  7 13  1  0  0  0  0
  2  7  1  6  0  0  0
M  END
>  <Mol_ID> (434)
8239

>  <Formula> (434)
C19H26ClN7O

>  <MolWeight> (434)
403.90904

>  <Cat> (434)
S0734

>  <Name> (434)
Aminopurvalanol A

>  <Synonyms> (434)
N/A

>  <Target> (434)
CDK

>  <Form> (434)
free base

>  <CAS> (434)
220792-57-4

>  <URL> (434)
http://www.selleckchem.com/products/aminopurvalanol-a.html

$$$$

csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0998    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    8.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    9.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    4.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0998    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 18 19  1  0  0  0  0
 16 18  1  0  0  0  0
 20 21  1  0  0  0  0
 15 20  1  0  0  0  0
 22 23  1  0  0  0  0
 14 22  1  0  0  0  0
 11 12  1  0  0  0  0
 24 25  1  0  0  0  0
  8 24  1  0  0  0  0
 26 27  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (435)
8251

>  <Formula> (435)
C20H22N2O5

>  <MolWeight> (435)
370.39908

>  <Cat> (435)
S0848

>  <Name> (435)
GAK inhibitor 49

>  <Synonyms> (435)
N/A

>  <Target> (435)
Serine/threonin kinase

>  <Form> (435)
free base

>  <CAS> (435)
319492-82-5

>  <URL> (435)
http://www.selleckchem.com/products/gak-inhibitor-49.html

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8262

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>  <CAS> (436)
1137868-52-0

>  <URL> (436)
http://www.selleckchem.com/products/tak-960.html

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>  <Formula> (437)
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>  <MolWeight> (437)
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>  <Cat> (437)
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>  <Target> (437)
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>  <Form> (437)
free base

>  <CAS> (437)
660868-91-7

>  <URL> (437)
http://www.selleckchem.com/products/gw-843682x.html

$$$$

csChFnd80/03192410402D

 22 23  0  0  0  0  0  0  0  0999 V2000
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8300

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N/A

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PLK

>  <Form> (438)
free base

>  <CAS> (438)
321688-88-4

>  <URL> (438)
http://www.selleckchem.com/products/poloxin.html

$$$$

csChFnd80/03192410402D

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>  <Target> (439)
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>  <CAS> (439)
10179-57-4

>  <URL> (439)
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    3.6380    6.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6 10  2  0  0  0  0
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  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (440)
8315

>  <Formula> (440)
C23H24N4O

>  <MolWeight> (440)
372.46286

>  <Cat> (440)
S7002

>  <Name> (440)
Zotiraciclib

>  <Synonyms> (440)
SB1317 (TG02)

>  <Target> (440)
FLT3,JAK

>  <Form> (440)
free base

>  <CAS> (440)
937270-47-8

>  <URL> (440)
http://www.selleckchem.com/products/sb1317-tg02.html

$$$$

csChFnd80/03192410402D

 30 33  0  0  0  0  0  0  0  0999 V2000
    8.4870    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2416    1.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    4.4833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
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  5 25  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (441)
8321

>  <Formula> (441)
C19H23N9O2

>  <MolWeight> (441)
409.44502

>  <Cat> (441)
E0338

>  <Name> (441)
AKI603

>  <Target> (441)
Aurora Kinase

>  <Form> (441)
free base

>  <CAS> (441)
1432515-73-5

>  <URL> (441)
http://www.selleckchem.com/products/aki603.html

$$$$

csChFnd80/03192410402D

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5491    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7615    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  6  7  1  0  0  0  0
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  7  8  2  0  0  0  0
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  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 17  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (442)
8324

>  <Formula> (442)
C23H20N4O3

>  <MolWeight> (442)
400.4299

>  <Cat> (442)
E0342

>  <Name> (442)
Aurora kinase Inhibitor II

>  <Target> (442)
Aurora Kinase

>  <Form> (442)
free base

>  <CAS> (442)
331770-21-9

>  <URL> (442)
http://www.selleckchem.com/products/aurora-kinase-inhibitor-ii.html

$$$$

csChFnd80/03192410402D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5495    3.3125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1247    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 18 19  1  0  0  0  0
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 26 30  1  0  0  0  0
 27 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (443)
8326

>  <Formula> (443)
C21H17ClF6N2O2

>  <MolWeight> (443)
478.8152992

>  <Cat> (443)
E0345

>  <Name> (443)
CCG-100602

>  <Synonyms> (443)
N/A

>  <Target> (443)
Rho

>  <Form> (443)
free base

>  <CAS> (443)
1207113-88-9

>  <URL> (443)
http://www.selleckchem.com/products/ccg-100602.html

$$$$

csChFnd80/03192410402D

 28 32  0  0  0  0  0  0  0  0999 V2000
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    5.6860    4.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6860    1.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4691    3.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  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
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (444)
8352

>  <Formula> (444)
C25H26O3

>  <MolWeight> (444)
374.47214

>  <Cat> (444)
E0466

>  <Name> (444)
Adarotene

>  <Synonyms> (444)
ST1926

>  <Target> (444)
Others

>  <Form> (444)
free base

>  <CAS> (444)
496868-77-0

>  <URL> (444)
http://www.selleckchem.com/products/adarotene.html

$$$$

csChFnd80/03192410402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
  2 15  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (445)
8357

>  <Formula> (445)
C16H10BrN3O2

>  <MolWeight> (445)
356.1735

>  <Cat> (445)
E0474

>  <Name> (445)
7BIO

>  <Synonyms> (445)
7-bromoindirubin-3-oxime

>  <Target> (445)
CDK,GSK-3

>  <Form> (445)
free base

>  <CAS> (445)
916440-85-2

>  <URL> (445)
http://www.selleckchem.com/products/7bio.html

$$$$

csChFnd80/03192410402D

 35 35  0  0  0  0  0  0  0  0999 V2000
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  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
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  5 19  1  0  0  0  0
 13  6  1  6  0  0  0
  6 18  1  0  0  0  0
  7 14  2  0  0  0  0
  7 18  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  2  0  0  0  0
  9 17  1  0  0  0  0
  9 23  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 31  1  0  0  0  0
 11 34  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
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 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 17  2  0  0  0  0
 16 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  2  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (446)
8390

>  <Formula> (446)
C24H32Cl3N7O

>  <MolWeight> (446)
540.91618

>  <Cat> (446)
E0647

>  <Name> (446)
(R)-CR8 trihydrochloride

>  <Target> (446)
CDK

>  <Form> (446)
Trihydrochloride

>  <CAS> (446)
1786438-30-9

>  <URL> (446)
http://www.selleckchem.com/products/r-cr8-trihydrochloride.html

$$$$

csChFnd80/03192410402D

 19 21  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  3  0  0  0  0
  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
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 11 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (447)
8411

>  <Formula> (447)
C16H11N3

>  <MolWeight> (447)
245.27864

>  <Cat> (447)
E0779

>  <Name> (447)
Paprotrain

>  <Target> (447)
DYRK,Kinesin

>  <Form> (447)
free base

>  <CAS> (447)
57046-73-8

>  <URL> (447)
http://www.selleckchem.com/products/paprotrain.html

$$$$

csChFnd80/03192410402D

 23 23  0  0  0  0  0  0  0  0999 V2000
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   12.1242    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (448)
8458

>  <Formula> (448)
C19H33NO3

>  <MolWeight> (448)
323.47022

>  <Cat> (448)
E0956

>  <Name> (448)
MP07-66

>  <Target> (448)
phosphatase

>  <Form> (448)
free base

>  <CAS> (448)
1938056-90-6

>  <URL> (448)
http://www.selleckchem.com/products/mp07-66.html

$$$$

csChFnd80/03192410402D

 33 37  0  0  0  0  0  0  0  0999 V2000
   12.0415    6.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8415    8.8835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1415   10.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2 13  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4 33  1  0  0  0  0
  7  8  2  0  0  0  0
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  8 10  1  0  0  0  0
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  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
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 16 17  2  0  0  0  0
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 22 24  1  0  0  0  0
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 30 32  2  0  0  0  0
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 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (449)
8465

>  <Formula> (449)
C25H17ClN4O3

>  <MolWeight> (449)
456.88048

>  <Cat> (449)
E1047

>  <Name> (449)
NAV-2729

>  <Target> (449)
Ras

>  <Form> (449)
free base

>  <CAS> (449)
419547-11-8

>  <URL> (449)
http://www.selleckchem.com/products/nav-2729.html

$$$$

csChFnd80/03192410402D

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 38 40  1  0  0  0  0
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 44 47  1  0  0  0  0
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 51 52  1  0  0  0  0
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M  END
>  <Mol_ID> (450)
8473

>  <Formula> (450)
C36H27F6N6O8S2+

>  <MolWeight> (450)
849.7553992

>  <Cat> (450)
E1070

>  <Name> (450)
Phen-DC3 Trifluoromethanesulfonate

>  <Target> (450)
DNA/RNA Synthesis

>  <Form> (450)
Trifluoromethanesulfonate

>  <CAS> (450)
929895-45-4

>  <URL> (450)
http://www.selleckchem.com/products/phen-dc3-trifluoromethanesulfonate.html

$$$$

csChFnd80/03192410402D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (451)
8483

>  <Formula> (451)
C16H16N6

>  <MolWeight> (451)
292.33844

>  <Cat> (451)
E1132

>  <Name> (451)
CHR-6494

>  <Target> (451)
Haspin Kinase

>  <Form> (451)
free base

>  <CAS> (451)
1333377-65-3

>  <URL> (451)
http://www.selleckchem.com/products/chr-6494.html

$$$$

csChFnd80/03192410402D

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 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
>  <Mol_ID> (452)
8488

>  <Formula> (452)
C21H22BrN5OS

>  <MolWeight> (452)
472.40128

>  <Cat> (452)
E1146

>  <Name> (452)
CHD1Li 6.11

>  <Synonyms> (452)
N/A

>  <Target> (452)
DNA/RNA Synthesis

>  <Form> (452)
free base

>  <CAS> (452)
2716890-91-2

>  <URL> (452)
http://www.selleckchem.com/products/chd1li-6-11.html

$$$$

csChFnd80/03192410402D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 14 19  2  0  0  0  0
 12 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 12  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 16 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 16  1  0  0  0  0
M  END
>  <Mol_ID> (453)
8493

>  <Formula> (453)
C27H29NO4

>  <MolWeight> (453)
431.52346

>  <Cat> (453)
E1152

>  <Name> (453)
AGX51

>  <Target> (453)
DNA/RNA Synthesis

>  <Form> (453)
free base

>  <CAS> (453)
330834-54-3

>  <URL> (453)
http://www.selleckchem.com/products/agx51.html

$$$$

csChFnd80/03192410402D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  1 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  6  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 15  1  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (454)
8502

>  <Formula> (454)
C20H18ClF6N3O2

>  <MolWeight> (454)
481.8192392

>  <Cat> (454)
E1190

>  <Name> (454)
UC2288

>  <Target> (454)
p21

>  <Form> (454)
free base

>  <CAS> (454)
1394011-91-6

>  <URL> (454)
http://www.selleckchem.com/products/uc2288.html

$$$$

csChFnd80/03192410402D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  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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 11 12  1  0  0  0  0
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 11 20  2  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (455)
8515

>  <Formula> (455)
C19H20ClN5

>  <MolWeight> (455)
353.8486

>  <Cat> (455)
E2202

>  <Name> (455)
1-Naphthyl PP1 hydrochloride

>  <Synonyms> (455)
1-NA-PP 1 hydrochloride

>  <Target> (455)
Bcr-Abl,CaMK,CDK,Src

>  <Form> (455)
hydrochloride

>  <CAS> (455)
956025-47-1

>  <URL> (455)
http://www.selleckchem.com/products/1-naphthyl-pp1-hydrochloride.html

$$$$

csChFnd80/03192410402D

 16 17  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
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M  CFW   7 B_NG_STER 3
M  END
>  <Mol_ID> (456)
8526

>  <Formula> (456)
C9H10N6O

>  <MolWeight> (456)
218.2153

>  <Cat> (456)
E2373

>  <Name> (456)
CAN508

>  <Target> (456)
CDK

>  <Form> (456)
free base

>  <CAS> (456)
140651-18-9

>  <URL> (456)
http://www.selleckchem.com/products/can508.html

$$$$

csChFnd80/03192410402D

 19 20  0  0  0  0  0  0  0  0999 V2000
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  5 10  2  0  0  0  0
  1 11  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 12 16  1  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <Mol_ID> (457)
8532

>  <Formula> (457)
C14H17ClN2O2

>  <MolWeight> (457)
280.74998

>  <Cat> (457)
E2385

>  <Name> (457)
SAR407899 hydrochloride

>  <Target> (457)
Rho

>  <Form> (457)
hydrochloride

>  <CAS> (457)
923262-96-8

>  <URL> (457)
http://www.selleckchem.com/products/sar407899-hydrochloride.html

$$$$

csChFnd80/03192410402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 12 13  2  0  0  0  0
 11 13  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
  2 14  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 20  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (458)
8538

>  <Formula> (458)
C17H12FN3O

>  <MolWeight> (458)
293.2950832

>  <Cat> (458)
E2396

>  <Name> (458)
STK16-IN-1

>  <Target> (458)
Serine/threonin kinase

>  <Form> (458)
free base

>  <CAS> (458)
1223001-53-3

>  <URL> (458)
http://www.selleckchem.com/products/stk16-in-1.html

$$$$

csChFnd80/03192410402D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 F   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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    3.5000    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 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 17  1  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
  5 12  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (459)
8539

>  <Formula> (459)
C16H16F3N3

>  <MolWeight> (459)
307.3135496

>  <Cat> (459)
E2400

>  <Name> (459)
1A-116

>  <Target> (459)
Rho

>  <Form> (459)
free base

>  <CAS> (459)
1430208-73-3

>  <URL> (459)
http://www.selleckchem.com/products/1a-116.html

$$$$

csChFnd80/03192410402D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.8496    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.4008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.5007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8455    2.4929    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    1.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9782    0.5313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 15  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
 16 21  2  0  0  0  0
 14 18  1  0  0  0  0
 10 12  1  0  0  0  0
 22 23  1  0  0  0  0
  4 22  1  0  0  0  0
M  END
>  <Mol_ID> (460)
8550

>  <Formula> (460)
C17H15N3O2S

>  <MolWeight> (460)
325.3849

>  <Cat> (460)
E2519

>  <Name> (460)
WAY-624704

>  <Target> (460)
ROCK

>  <Form> (460)
free base

>  <CAS> (460)
692869-38-8

>  <URL> (460)
http://www.selleckchem.com/products/way-624704.html

$$$$

csChFnd80/03192410402D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6372    6.1911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  1  0  0  0  0
  4 18  1  0  0  0  0
  5 16  1  0  0  0  0
  6 21  1  0  0  0  0
  6 23  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
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 18 19  2  0  0  0  0
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 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (461)
8564

>  <Formula> (461)
C20H16ClN5O2

>  <MolWeight> (461)
393.82634

>  <Cat> (461)
E2640

>  <Name> (461)
M2N12

>  <Target> (461)
CDK

>  <Form> (461)
free base

>  <CAS> (461)
2376577-06-7

>  <URL> (461)
http://www.selleckchem.com/products/m2n12.html

$$$$

csChFnd80/03192410402D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    0.0000    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (462)
8566

>  <Formula> (462)
C18H18ClN5O

>  <MolWeight> (462)
355.82142

>  <Cat> (462)
E2642

>  <Name> (462)
CGP60474

>  <Target> (462)
CDK

>  <Form> (462)
free base

>  <CAS> (462)
164658-13-3

>  <URL> (462)
http://www.selleckchem.com/products/cgp60474.html

$$$$

csChFnd80/03192410402D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    4.8455    8.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1366    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5289    3.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2755    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.3970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0631    0.2922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8429    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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  1  1  0  0  0  0
  4  7  2  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 13  8  1  0  0  0  0
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  1 18  2  0  0  0  0
  6 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (463)
8594

>  <Formula> (463)
C16H12O6

>  <MolWeight> (463)
300.26288

>  <Cat> (463)
E2826

>  <Name> (463)
Hematein

>  <Target> (463)
Akt,Casein Kinase

>  <Form> (463)
free base

>  <CAS> (463)
475-25-2

>  <URL> (463)
http://www.selleckchem.com/products/hematein.html

$$$$

csChFnd80/03192410402D

 61 63  0  0  0  0  0  0  0  0999 V2000
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   20.7578    7.7468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.1273    8.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8273    6.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8904    5.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0085   10.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3860    8.2508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  1  0  0  0  0
  9 18  2  0  0  0  0
 21 20  1  6  0  0  0
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  2  9  1  0  0  0  0
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M  END
>  <Mol_ID> (464)
8604

>  <Formula> (464)
C40H62N12O9

>  <MolWeight> (464)
854.99528

>  <Cat> (464)
P1107

>  <Name> (464)
Alamandine

>  <Target> (464)
Ras

>  <Form> (464)
free base

>  <CAS> (464)
1176306-10-7

>  <URL> (464)
http://www.selleckchem.com/products/alamandine.html

$$$$

csChFnd80/03192410402D

 20 18  0  0  0  0  0  0  0  0999 V2000
   12.1726    4.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  6  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (465)
8632

>  <Formula> (465)
C8H18N3O8P

>  <MolWeight> (465)
315.217581

>  <Cat> (465)
E0510

>  <Name> (465)
Cidofovir hydrate

>  <Target> (465)
DNA/RNA Synthesis

>  <Form> (465)
Dihydride

>  <CAS> (465)
149394-66-1

>  <URL> (465)
http://www.selleckchem.com/products/cidofovir-hydrate.html

$$$$

csChFnd80/03192410402D

 51 52  0  0  0  0  0  0  0  0999 V2000
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   16.3561    9.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5433    2.7982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3043    1.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3322    4.1470    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  6  0  0  0
  2  4  1  0  0  0  0
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  2 43  1  1  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  1  0  0  0  0
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 17 23  1  1  0  0  0
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 28 30  1  6  0  0  0
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 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 45  1  6  0  0  0
 33 35  1  0  0  0  0
 34 36  1  1  0  0  0
 34 37  1  0  0  0  0
 35 38  1  1  0  0  0
 35 39  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  1  6  0  0  0
 38 41  1  0  0  0  0
 39 42  1  1  0  0  0
 46 47  2  0  0  0  0
 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
 46 50  1  0  0  0  0
A   51
.
M  END
>  <Mol_ID> (466)
8633

>  <Formula> (466)
C23H48N6O17RS

>  <MolWeight> (466)
712.72222

>  <Cat> (466)
E0511

>  <Name> (466)
Framycetin sulphate

>  <Target> (466)
DNA/RNA Synthesis

>  <Form> (466)
sulphate

>  <CAS> (466)
4146-30-9

>  <URL> (466)
http://www.selleckchem.com/products/framycetin-sulphate.html

$$$$

csChFnd80/03192410402D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.0911    7.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584    4.0426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0035    2.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4315    2.5578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4197    4.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    8.8704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6552   10.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4697    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5237    5.6884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3911    4.8655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6475    4.8675    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2163    3.5442    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8245    3.5430    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.1895    5.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8447    4.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0415   11.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 17  1  0  0  0  0
 10  2  1  6  0  0  0
 13  3  1  1  0  0  0
  4 18  2  0  0  0  0
  5 19  1  0  0  0  0
  5 35  1  0  0  0  0
  6 26  1  0  0  0  0
  6 36  1  0  0  0  0
  7 33  1  0  0  0  0
  7 37  1  0  0  0  0
  8 18  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  6  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  6  0  0  0
 12 13  1  0  0  0  0
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 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 23  2  0  0  0  0
 16 24  1  0  0  0  0
 17 22  1  0  0  0  0
 19 25  2  0  0  0  0
 20 27  1  0  0  0  0
 21 28  2  0  0  0  0
 22 26  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 26  1  0  0  0  0
 27 33  2  0  0  0  0
 28 33  1  0  0  0  0
 29 34  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (467)
8673

>  <Formula> (467)
C29H31NO7

>  <MolWeight> (467)
505.55894

>  <Cat> (467)
S7428

>  <Name> (467)
Rocaglamide

>  <Synonyms> (467)
Roc-A

>  <Target> (467)
eIF,HSP (HSP90),NF-¦ÊB

>  <Form> (467)
free base

>  <CAS> (467)
84573-16-0

>  <URL> (467)
http://www.selleckchem.com/products/rocaglamide.html

$$$$

csChFnd80/03192410402D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.8247    4.3461    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3024    5.5104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2923    4.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300    3.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9768    3.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3291    3.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3190    2.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6915    4.9798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5212    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3593    6.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3492    5.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
 25  5  1  1  0  0  0
  7  8  1  0  0  0  0
 28  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (468)
8693

>  <Formula> (468)
C22H28ClN5O2

>  <MolWeight> (468)
429.94302

>  <Cat> (468)
S8719

>  <Name> (468)
AZD4573

>  <Synonyms> (468)
N/A

>  <Target> (468)
CDK

>  <Form> (468)
free base

>  <CAS> (468)
2057509-72-3

>  <URL> (468)
http://www.selleckchem.com/products/azd4573.html

$$$$

csChFnd80/03192410402D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2423    3.8369    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
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   10.6730    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7112    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4958    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  1  1  1  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  2 20  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  1  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  1  1  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
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 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (469)
8694

>  <Formula> (469)
C17H18N4O3S

>  <MolWeight> (469)
358.41482

>  <Cat> (469)
S8809

>  <Name> (469)
MC180295

>  <Synonyms> (469)
(rel)-MC180295

>  <Target> (469)
CDK

>  <Form> (469)
free base

>  <CAS> (469)
2237942-08-2

>  <URL> (469)
http://www.selleckchem.com/products/mc180295.html

$$$$

csChFnd80/03192410402D

 29 29  0  0  0  0  0  0  0  0999 V2000
   26.8580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6456    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2829    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4953    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2499    3.1246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.9584    7.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.6423    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3423    4.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   20.7813    6.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 20  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  3  0  0  0  0
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 11 12  2  0  0  0  0
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 13 15  2  0  0  0  0
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 18 20  1  0  0  0  0
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 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (470)
8698

>  <Formula> (470)
C18H21Cl2N7O2

>  <MolWeight> (470)
438.31104

>  <Cat> (470)
S7178

>  <Name> (470)
Prexasertib HCl (LY2606368)

>  <Synonyms> (470)
N/A

>  <Target> (470)
Chk

>  <Form> (470)
dihydrochloride

>  <CAS> (470)
1234015-54-3

>  <URL> (470)
http://www.selleckchem.com/products/ly2606368.html

$$$$

csChFnd80/03192410402D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 17  1  0  0  0  0
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  1 20  1  0  0  0  0
M  END
>  <Mol_ID> (471)
8700

>  <Formula> (471)
C13H8Cl2N4OS

>  <MolWeight> (471)
339.19982

>  <Cat> (471)
S0006

>  <Name> (471)
BTdCPU

>  <Synonyms> (471)
N/A

>  <Target> (471)
PERK

>  <Form> (471)
Free base

>  <CAS> (471)
1257423-87-2

>  <URL> (471)
http://www.selleckchem.com/products/btdcpu.html

$$$$

csChFnd80/03192410402D

 33 36  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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 15  9  1  0  0  0  0
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 17 18  1  0  0  0  0
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 21 17  1  0  0  0  0
 14 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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  7 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 30 32  1  0  0  0  0
  1 33  1  0  0  0  0
 17 16  1  1  0  0  0
M  END
>  <Mol_ID> (472)
8722

>  <Formula> (472)
C23H25ClF3N5O

>  <MolWeight> (472)
479.9257096

>  <Cat> (472)
S8264

>  <Name> (472)
NVS-PAK1-1

>  <Synonyms> (472)
N/A

>  <Target> (472)
PAK

>  <Form> (472)
Free base

>  <CAS> (472)
1783816-74-9

>  <URL> (472)
http://www.selleckchem.com/products/nvs-pak1-1.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (473)
8739

>  <Formula> (473)
C23H36N6S

>  <MolWeight> (473)
428.63714

>  <Cat> (473)
S0054

>  <Name> (473)
D-I03

>  <Synonyms> (473)
N/A

>  <Target> (473)
DNA/RNA Synthesis

>  <Form> (473)
Free base

>  <CAS> (473)
688342-78-1

>  <URL> (473)
http://www.selleckchem.com/products/d-i03.html

$$$$

csChFnd80/03192410402D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (474)
8749

>  <Formula> (474)
C19H12FN3O6S2

>  <MolWeight> (474)
461.4434832

>  <Cat> (474)
S0308

>  <Name> (474)
AMZ30

>  <Synonyms> (474)
ML136, CS-2122

>  <Target> (474)
PP2A

>  <Form> (474)
Free base

>  <CAS> (474)
1313613-09-0

>  <URL> (474)
http://www.selleckchem.com/products/amz30.html

$$$$

csChFnd80/03192410402D

 39 42  0  0  0  0  0  0  0  0999 V2000
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   32.6220    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 37  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
>  <Mol_ID> (475)
8756

>  <Formula> (475)
C29H30Cl2N6O2

>  <MolWeight> (475)
565.4935

>  <Cat> (475)
S0371

>  <Name> (475)
(1E)-CFI-400437 dihydrochloride

>  <Synonyms> (475)
N/A

>  <Target> (475)
PLK

>  <Form> (475)
Dihydrochloride

>  <CAS> (475)
1247000-76-5

>  <URL> (475)
http://www.selleckchem.com/products/cfi-400437.html

$$$$

csChFnd80/03192410402D

 31 33  0  0  0  0  0  0  0  0999 V2000
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 27 28  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (476)
8757

>  <Formula> (476)
C21H18FNO7S

>  <MolWeight> (476)
447.4335232

>  <Cat> (476)
S0400

>  <Name> (476)
KAN0438757

>  <Synonyms> (476)
N/A

>  <Target> (476)
PFKFB

>  <Form> (476)
Free base

>  <CAS> (476)
1451255-59-6

>  <URL> (476)
http://www.selleckchem.com/products/kan0438757.html

$$$$

csChFnd80/03192410402D

 32 36  0  0  0  0  0  0  0  0999 V2000
    9.8636    1.3314    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
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  9 10  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (477)
8770

>  <Formula> (477)
C24H20N4O3S

>  <MolWeight> (477)
444.5056

>  <Cat> (477)
S0816

>  <Name> (477)
Brr2 Inhibitor C9

>  <Synonyms> (477)
Brr2 Inhibitor 9

>  <Target> (477)
DNA/RNA Synthesis

>  <Form> (477)
Free base

>  <CAS> (477)
2104030-82-0

>  <URL> (477)
http://www.selleckchem.com/products/brr2-inhibitor-c9.html

$$$$

csChFnd80/03192410402D

 14 14  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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M  END
>  <Mol_ID> (478)
8781

>  <Formula> (478)
C7H15Cl2N2O2P

>  <MolWeight> (478)
261.085961

>  <Cat> (478)
S1217

>  <Name> (478)
Cyclophosphamide

>  <Synonyms> (478)
NSC 26271,Endoxan, Cytoxan, Neosar, Procytox, Revimmune, Cytophosphane

>  <Target> (478)
DNA/RNA Synthesis

>  <Form> (478)
Free base

>  <CAS> (478)
50-18-0

>  <URL> (478)
http://www.selleckchem.com/products/Clafen.html

$$$$

csChFnd80/03192410402D

 32 36  0  0  0  0  0  0  0  0999 V2000
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    6.0300    4.3157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6051    4.3157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3927    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3927    2.2157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6051    1.5157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5739    1.7831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3968    2.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5739    4.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    5.7157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3823    6.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8126    6.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9193    7.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3141    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    0.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176    5.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5951    0.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1803    2.9157    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  5  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 13  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  7 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  9 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 10  1  0  0  0  0
  3 28  2  0  0  0  0
  6 29  1  6  0  0  0
 14 18  1  1  0  0  0
 10 30  1  1  0  0  0
 25 31  2  0  0  0  0
  9 32  1  6  0  0  0
M  END
>  <Mol_ID> (479)
8791

>  <Formula> (479)
C23H24O8

>  <MolWeight> (479)
428.43186

>  <Cat> (479)
S2758

>  <Name> (479)
Wortmannin (KY 12420)

>  <Synonyms> (479)
SL-2052, BRN 0067676, NSC 627609

>  <Target> (479)
ATM/ATR,Autophagy,Autophagy,DNA-PK,PI3K,PLK

>  <Form> (479)
Free base

>  <CAS> (479)
19545-26-7

>  <URL> (479)
http://www.selleckchem.com/products/wortmannin.html

$$$$

csChFnd80/03192410402D

 22 24  0  0  0  0  0  0  0  0999 V2000
   12.2648    2.3140    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7279    4.2521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7804    0.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5703    2.8761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3577    2.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5203    2.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7279    2.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405    2.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398    0.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9498    0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2759    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1254    4.2719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9868    2.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1552    2.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939    4.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0855    5.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7804    2.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1980    3.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 22  1  0  0  0  0
  2  8  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (480)
8812

>  <Formula> (480)
C17H14N2O2S

>  <MolWeight> (480)
310.37026

>  <Cat> (480)
S4476

>  <Name> (480)
PCNA-I1

>  <Synonyms> (480)
N/A

>  <Target> (480)
Apoptosis related,Autophagy,DNA/RNA Synthesis

>  <Form> (480)
Free base

>  <CAS> (480)
444930-42-1

>  <URL> (480)
http://www.selleckchem.com/products/pcna-i1.html

$$$$

csChFnd80/03192410402D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8950    0.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1740    0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3066    1.2069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2929    3.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4255    4.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
  2 14  1  0  0  0  0
 14 15  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 14  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  3  0  0  0  0
M  END
>  <Mol_ID> (481)
8822

>  <Formula> (481)
C18H19N7O2

>  <MolWeight> (481)
365.38916

>  <Cat> (481)
S6385

>  <Name> (481)
Prexasertib (LY2606368)

>  <Synonyms> (481)
ACR 368

>  <Target> (481)
Chk,S6 Kinase

>  <Form> (481)
Free base

>  <CAS> (481)
1234015-52-1

>  <URL> (481)
http://www.selleckchem.com/products/prexasertib-ly2606368.html

$$$$

csChFnd80/03192410402D

 38 43  0  0  0  0  0  0  0  0999 V2000
    8.4872    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5351    8.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    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
    7.2748    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0244    2.3733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0303    9.8212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1284    8.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9958    6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4594    5.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8293    6.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243    6.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2643    7.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3292    8.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9593    8.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3909    9.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  1  0  0  0  0
  2 25  1  0  0  0  0
  2 30  1  0  0  0  0
  3 29  1  0  0  0  0
  3 37  1  0  0  0  0
  4 36  2  0  0  0  0
  5 16  2  0  0  0  0
  5 22  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 19  1  0  0  0  0
  7 22  2  0  0  0  0
  8 22  1  0  0  0  0
  8 28  1  0  0  0  0
  9 26  1  0  0  0  0
  9 30  2  0  0  0  0
 10 36  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 35  1  0  0  0  0
 31 34  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (482)
8837

>  <Formula> (482)
C28H28N6O4

>  <MolWeight> (482)
512.55972

>  <Cat> (482)
S6768

>  <Name> (482)
CC-671

>  <Synonyms> (482)
N/A

>  <Target> (482)
CDK,MPS1

>  <Form> (482)
Free base

>  <CAS> (482)
1618658-88-0

>  <URL> (482)
http://www.selleckchem.com/products/cc-671.html

$$$$

csChFnd80/03192410402D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 Cl  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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  6  2  0  0  0  0
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  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
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 11 15  1  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 25  1  0  0  0  0
 19 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 24  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (483)
8861

>  <Formula> (483)
C21H17ClF2N4O2

>  <MolWeight> (483)
430.8350864

>  <Cat> (483)
S8707

>  <Name> (483)
ARS-1620

>  <Synonyms> (483)
N/A

>  <Target> (483)
Ras

>  <Form> (483)
Free base

>  <CAS> (483)
1698055-85-4

>  <URL> (483)
http://www.selleckchem.com/products/ars-1620.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.6424    5.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6424    4.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8549    3.8150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0673    4.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8549    6.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8946    1.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2008    2.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5311    1.1270    0.0000 Cl  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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 21 26  1  6  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (484)
8866

>  <Formula> (484)
C22H31ClN6O

>  <MolWeight> (484)
430.97414

>  <Cat> (484)
S8722

>  <Name> (484)
Samuraciclib hydrochloride (ICEC0942 hydrochloride)

>  <Synonyms> (484)
CT7001 hydrochloride

>  <Target> (484)
Apoptosis related,CDK

>  <Form> (484)
Hydrochloride

>  <CAS> (484)
1805789-54-1

>  <URL> (484)
http://www.selleckchem.com/products/icec0942-hydrochloride.html

$$$$

csChFnd80/03192410402D

 34 37  0  0  0  0  0  0  0  0999 V2000
    3.7772    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2020    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5647    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7772    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7772    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7896    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0125    4.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3440    5.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  6  0  0  0
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 27 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  2  0  0  0  0
 15 33  1  6  0  0  0
 23 34  1  0  0  0  0
M  END
>  <Mol_ID> (485)
8869

>  <Formula> (485)
C24H26ClF2N5O2

>  <MolWeight> (485)
489.9453464

>  <Cat> (485)
S8782

>  <Name> (485)
LY3295668

>  <Synonyms> (485)
AK-01

>  <Target> (485)
Aurora Kinase

>  <Form> (485)
Free base

>  <CAS> (485)
1919888-06-4

>  <URL> (485)
http://www.selleckchem.com/products/ly3295668.html

$$$$

csChFnd80/03192410402D

 41 45  0  0  0  0  0  0  0  0999 V2000
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   14.5494    8.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    6.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    8.1208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 20  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 31  1  0  0  0  0
  8 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  2  0  0  0  0
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 17 21  1  0  0  0  0
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 18 30  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
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 33 35  1  0  0  0  0
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 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (486)
8873

>  <Formula> (486)
C30H30F2N6O3

>  <MolWeight> (486)
560.5944064

>  <Cat> (486)
S8830

>  <Name> (486)
Sotorasib (AMG510)

>  <Synonyms> (486)
N/A

>  <Target> (486)
Ras

>  <Form> (486)
Free base

>  <CAS> (486)
2296729-00-3

>  <URL> (486)
http://www.selleckchem.com/products/amg510.html

$$$$

csChFnd80/03192410402D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.0540    8.1420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
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  7  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 19 20  2  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  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  2  0  0  0  0
 36 38  2  0  0  0  0
 37 38  1  0  0  0  0
M  END
>  <Mol_ID> (487)
8879

>  <Formula> (487)
C28H33N7O3

>  <MolWeight> (487)
515.60672

>  <Cat> (487)
S8863

>  <Name> (487)
YKL-5-124

>  <Synonyms> (487)
N/A

>  <Target> (487)
CDK

>  <Form> (487)
Free base

>  <CAS> (487)
1957203-01-8

>  <URL> (487)
http://www.selleckchem.com/products/ykl5-124.html

$$$$

csChFnd80/03192410402D

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M  END
>  <Mol_ID> (488)
8882

>  <Formula> (488)
C32H35ClFN7O2

>  <MolWeight> (488)
604.1174032

>  <Cat> (488)
S8884

>  <Name> (488)
Adagrasib (MRTX849)

>  <Synonyms> (488)
N/A

>  <Target> (488)
Ras

>  <Form> (488)
Free base

>  <CAS> (488)
2326521-71-3

>  <URL> (488)
http://www.selleckchem.com/products/mrtx849.html

$$$$

csChFnd80/03192410402D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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 15 10  1  0  0  0  0
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M  END
>  <Mol_ID> (489)
8888

>  <Formula> (489)
C17H19N5OS

>  <MolWeight> (489)
341.43066

>  <Cat> (489)
S8925

>  <Name> (489)
Simurosertib

>  <Synonyms> (489)
TAK-931

>  <Target> (489)
CDK

>  <Form> (489)
Free base

>  <CAS> (489)
1330782-76-7

>  <URL> (489)
http://www.selleckchem.com/products/simurosertib.html

$$$$

csChFnd80/03192410402D

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 31  7  1  6  0  0  0
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 26 28  2  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 38 40  2  0  0  0  0
 39 41  2  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (490)
8894

>  <Formula> (490)
C30H30F2N6O3

>  <MolWeight> (490)
560.5944064

>  <Cat> (490)
S8955

>  <Name> (490)
Sotorasib (AMG510) racemate

>  <Synonyms> (490)
N/A

>  <Target> (490)
Ras

>  <Form> (490)
Free base

>  <CAS> (490)
2252403-56-6

>  <URL> (490)
http://www.selleckchem.com/products/amg-510-racemate.html

$$$$

csChFnd80/03192410402D

 39 45  0  0  0  0  0  0  0  0999 V2000
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 20 21  1  0  0  0  0
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  3 13  1  1  0  0  0
  6 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
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 32 28  1  0  0  0  0
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 37 38  2  0  0  0  0
 38 34  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (491)
8896

>  <Formula> (491)
C31H28N6O2

>  <MolWeight> (491)
516.59302

>  <Cat> (491)
S8959

>  <Name> (491)
BI-2852

>  <Synonyms> (491)
N/A

>  <Target> (491)
Ras

>  <Form> (491)
Free base

>  <CAS> (491)
2375482-51-0

>  <URL> (491)
http://www.selleckchem.com/products/bi-2852.html

$$$$

csChFnd80/03192410402D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  1  0  0  0
 14 17  1  6  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (492)
8911

>  <Formula> (492)
C16H14FN5O2

>  <MolWeight> (492)
327.3130632

>  <Cat> (492)
S9650

>  <Name> (492)
LY3143921 hydrate

>  <Synonyms> (492)
N/A

>  <Target> (492)
CDK

>  <Form> (492)
Hydrate

>  <CAS> (492)
1627696-53-0

>  <URL> (492)
http://www.selleckchem.com/products/ly3143921-hydrate.html

$$$$

csChFnd80/03192410402D

 23 23  0  0  0  0  0  0  0  0999 V2000
   22.6921    4.1903    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  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13  7  1  1  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 13  1  0  0  0  0
  4 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  5  1  0  0  0  0
 15 21  1  6  0  0  0
M  END
>  <Mol_ID> (493)
8926

>  <Formula> (493)
C16H27Cl2N5

>  <MolWeight> (493)
360.32508

>  <Cat> (493)
S9901

>  <Name> (493)
KB-0742 Dihydrochloride

>  <Synonyms> (493)
N/A

>  <Target> (493)
CDK

>  <Form> (493)
Dihydrochloride

>  <CAS> (493)
2416874-75-2

>  <URL> (493)
http://www.selleckchem.com/products/kb-0742-dihydrochloride.html

$$$$

csChFnd80/03192410402D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
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8955

>  <Formula> (494)
C22H27N3O4S

>  <MolWeight> (494)
429.53248

>  <Cat> (494)
E0488

>  <Name> (494)
BC-LI-0186

>  <Target> (494)
DNA/RNA Synthesis

>  <Form> (494)
Free base

>  <CAS> (494)
695207-56-8

>  <URL> (494)
http://www.selleckchem.com/products/bc-li-0186.html

$$$$

csChFnd80/03192410402D

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>  <Mol_ID> (495)
8964

>  <Formula> (495)
C29H34N8O2

>  <MolWeight> (495)
526.63266

>  <Cat> (495)
E1000

>  <Name> (495)
Zn-C3

>  <Target> (495)
Wee1

>  <Form> (495)
Free base

>  <CAS> (495)
2376146-48-2

>  <URL> (495)
http://www.selleckchem.com/products/zn-c3.html

$$$$

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>  <Mol_ID> (496)
8985

>  <Formula> (496)
C26H34F2N6O4S

>  <MolWeight> (496)
564.6477664

>  <Cat> (496)
E1180

>  <Name> (496)
Sovilnesib

>  <Synonyms> (496)
AMG 650

>  <Target> (496)
Kinesin

>  <Form> (496)
Free base

>  <CAS> (496)
2410796-79-9

>  <URL> (496)
http://www.selleckchem.com/products/sovilnesib.html

$$$$

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>  <Mol_ID> (497)
8989

>  <Formula> (497)
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>  <MolWeight> (497)
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>  <Cat> (497)
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>  <Target> (497)
HSP (HSP90)

>  <Form> (497)
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>  <CAS> (497)
1693734-80-3

>  <URL> (497)
http://www.selleckchem.com/products/npx800.html

$$$$

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  1 11  1  0  0  0  0
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 17 19  1  0  0  0  0
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M  END
>  <Mol_ID> (502)
9044

>  <Formula> (502)
C18H20N2O2S

>  <MolWeight> (502)
328.4286

>  <Cat> (502)
S3406

>  <Name> (502)
LDN-192960

>  <Synonyms> (502)
N/A

>  <Target> (502)
DYRK,Haspin Kinase

>  <Form> (502)
Free base

>  <CAS> (502)
184582-62-5

>  <URL> (502)
http://www.selleckchem.com/products/ldn-192960.html

$$$$

csChFnd80/03192410402D

 49 54  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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 35 36  2  0  0  0  0
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 40 44  2  0  0  0  0
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 46 48  2  0  0  0  0
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M  END
>  <Mol_ID> (503)
9071

>  <Formula> (503)
C36H41Cl2F3N6O2

>  <MolWeight> (503)
717.6509496

>  <Cat> (503)
E1157

>  <Name> (503)
Pan-RAS-IN-1

>  <Target> (503)
Ras

>  <Form> (503)
Free base

>  <CAS> (503)
1835283-94-7

>  <URL> (503)
http://www.selleckchem.com/products/pan-ras-in-1.html

$$$$

csChFnd80/03192410402D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 20  6  1  1  0  0  0
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M  END
>  <Mol_ID> (504)
9106

>  <Formula> (504)
C18H19ClFN3O2

>  <MolWeight> (504)
363.8137632

>  <Cat> (504)
E2370

>  <Name> (504)
CDK-IN-2

>  <Synonyms> (504)
CDK inhibitor II

>  <Target> (504)
CDK

>  <Form> (504)
Free base

>  <CAS> (504)
1269815-17-9

>  <URL> (504)
https://www.selleckchem.com/products/cdk-in-2.html

$$$$

csChFnd80/03192410402D

 29 31  0  0  0  0  0  0  0  0999 V2000
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 13 14  1  0  0  0  0
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 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
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 24 25  1  0  0  0  0
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 27 29  1  0  0  0  0
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M  END
>  <Mol_ID> (505)
9109

>  <Formula> (505)
C17H19Cl2N5O4S

>  <MolWeight> (505)
460.33486

>  <Cat> (505)
E2404

>  <Name> (505)
NVP-LCQ195

>  <Synonyms> (505)
LCQ-195, AT9311

>  <Target> (505)
CDK

>  <Form> (505)
Free base

>  <CAS> (505)
902156-99-4

>  <URL> (505)
https://www.selleckchem.com/products/nvp-lcq195.html

$$$$

csChFnd80/03192410402D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   12.3242    6.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8995    3.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3242    3.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6871    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5368    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6871    4.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5368    4.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2622    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1158    4.1280    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0464    5.0493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    3.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  2  0  0  0  0
  2 18  2  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (506)
9120

>  <Formula> (506)
C18H10Cl2N4OS

>  <MolWeight> (506)
401.2692

>  <Cat> (506)
E2853

>  <Name> (506)
GSK626616

>  <Target> (506)
DYRK

>  <Form> (506)
Free base

>  <CAS> (506)
1025821-33-3

>  <URL> (506)
https://www.selleckchem.com/products/gsk626616.html

$$$$
