1.cdx
csChFnd80/07131713462D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 26  7  1  0  0  0  0
M  END
>  <Mol_ID> (1)
2

>  <Formula> (1)
C19H16N4O3

>  <MolWeight> (1)
348.35534

>  <Item Name> (1)
PI-103

>  <Catalog Number> (1)
S1038

>  <Synonyms> (1)
N/A

>  <Target> (1)
DNA-PK, PI3K, mTOR

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/PI-103.html

>  <CAS Number> (1)
371935-74-9

>  <ALogP> (1)
2.798

>  <HBA_Count> (1)
5

>  <HBD_Count> (1)
1

>  <Num_RotatableBonds> (1)
2

>  <Name> (1)
1.cdx

$$$$
RAPAMYCIN.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (2)
3

>  <Formula> (2)
C51H79NO13

>  <MolWeight> (2)
914.17186

>  <Item Name> (2)
Rapamycin (Sirolimus)

>  <Catalog Number> (2)
S1039

>  <Synonyms> (2)
N/A

>  <Target> (2)
mTOR

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
53123-88-9

>  <ALogP> (2)
6.295

>  <HBA_Count> (2)
10

>  <HBD_Count> (2)
2

>  <Num_RotatableBonds> (2)
6

>  <Name> (2)
RAPAMYCIN.cdx

$$$$
Trichostatin A.cdx
csChFnd80/07131713462D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (3)
4

>  <Formula> (3)
C17H22N2O3

>  <MolWeight> (3)
302.36818

>  <Item Name> (3)
Trichostatin A (TSA)

>  <Catalog Number> (3)
S1045

>  <Synonyms> (3)
TSA

>  <Target> (3)
HDAC

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
58880-19-6

>  <ALogP> (3)
2.772

>  <HBA_Count> (3)
2

>  <HBD_Count> (3)
1

>  <Num_RotatableBonds> (3)
6

>  <Name> (3)
Trichostatin A.cdx

$$$$
vorinostat.cdx
csChFnd80/07131713462D

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C14H23Cl2N3O

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Y-27632 2HCl

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ROCK

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Dihydrochloride

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HDAC

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HDAC

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Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

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$$$$
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csChFnd80/07131713462D

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HDAC

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Free Base

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726169-73-9.cdx

$$$$
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20

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SRT1720 HCl

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>  <Target> (20)
Sirtuin

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Hydrochloride

>  <URL> (20)
http://www.selleckchem.com/products/SRT1720.html

>  <CAS Number> (20)
1001645-58-4

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3.018

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4

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2

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>  <Name> (20)
SRT1720.cdx

$$$$
mln8237.cdx
csChFnd80/07131713462D

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21

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Alisertib

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Aurora Kinase

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1028486-01-2

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AT9283.cdx
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Bcr-Abl, JAK, Aurora Kinase

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AT9283.cdx

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AZD1152

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Aurora Kinase

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Free Base

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http://www.selleckchem.com/products/AZD1152-HQPA.html

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722544-51-6

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untitled.cdx

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Microtubule Associated

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$$$$
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M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C24H26N4O4

>  <MolWeight> (29)
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CUDC-101

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>  <Synonyms> (29)
N/A

>  <Target> (29)
HDAC, EGFR, HER2

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/CUDC-101.html

>  <CAS Number> (29)
1012054-59-9

>  <ALogP> (29)
5.376

>  <HBA_Count> (29)
5

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>  <Name> (29)
S119401 CUDC-101.cdx

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C27H30ClNO11

>  <MolWeight> (30)
579.9802

>  <Item Name> (30)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (30)
S1208

>  <Synonyms> (30)
N/A

>  <Target> (30)
Topoisomerase

>  <Form> (30)
Hydrochloride

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

>  <CAS Number> (30)
25316-40-9

>  <ALogP> (30)
0.338

>  <HBA_Count> (30)
6

>  <HBD_Count> (30)
5

>  <Num_RotatableBonds> (30)
5

>  <Name> (30)
Adriamycin (Doxorubicin Hydrochloride).cdx

$$$$
KU-0063794.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (31)
31

>  <Formula> (31)
C25H31N5O4

>  <MolWeight> (31)
465.54474

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Ku-0063794

>  <Catalog Number> (31)
S1226

>  <Synonyms> (31)
N/A

>  <Target> (31)
mTOR

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/KU-0063794.html

>  <CAS Number> (31)
938440-64-3

>  <ALogP> (31)
3.274

>  <HBA_Count> (31)
6

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1

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5

>  <Name> (31)
KU-0063794.cdx

$$$$
2-Methoxyestradiol.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (32)
32

>  <Formula> (32)
C19H26O3

>  <MolWeight> (32)
302.40794

>  <Item Name> (32)
2-Methoxyestradiol

>  <Catalog Number> (32)
S1233

>  <Synonyms> (32)
2-ME2

>  <Target> (32)
HIF

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

>  <CAS Number> (32)
362-07-2

>  <ALogP> (32)
3.821

>  <HBA_Count> (32)
1

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2

>  <Num_RotatableBonds> (32)
1

>  <Name> (32)
2-Methoxyestradiol.cdx

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/07131713462D

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Methazolastone, Temodar, Temodal

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DNA/RNA Synthesis

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Free Base

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

>  <CAS Number> (33)
85622-93-1

>  <ALogP> (33)
0.052

>  <HBA_Count> (33)
5

>  <HBD_Count> (33)
1

>  <Num_RotatableBonds> (33)
1

>  <Name> (33)
Methazolastone (Temozolomide).cdx

$$$$
JNJ-7706621.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C15H12F2N6O3S

>  <MolWeight> (34)
394.3559864

>  <Item Name> (34)
JNJ-7706621

>  <Catalog Number> (34)
S1249

>  <Synonyms> (34)
N/A

>  <Target> (34)
CDK, Aurora Kinase

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/JNJ-7706621.html

>  <CAS Number> (34)
443797-96-4

>  <ALogP> (34)
2.226

>  <HBA_Count> (34)
5

>  <HBD_Count> (34)
3

>  <Num_RotatableBonds> (34)
4

>  <Name> (34)
JNJ-7706621.cdx

$$$$
WYE-354.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C24H29N7O5

>  <MolWeight> (35)
495.53096

>  <Item Name> (35)
WYE-354

>  <Catalog Number> (35)
S1266

>  <Synonyms> (35)
N/A

>  <Target> (35)
mTOR

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/WYE-354.html

>  <CAS Number> (35)
1062169-56-5

>  <ALogP> (35)
1.886

>  <HBA_Count> (35)
8

>  <HBD_Count> (35)
1

>  <Num_RotatableBonds> (35)
6

>  <Name> (35)
WYE-354.cdx

$$$$
Cilnidipine.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C27H28N2O7

>  <MolWeight> (36)
492.52042

>  <Item Name> (36)
Cilnidipine

>  <Catalog Number> (36)
S1293

>  <Synonyms> (36)
FRC 8653

>  <Target> (36)
Calcium Channel

>  <Form> (36)
Free Base

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

>  <CAS Number> (36)
132203-70-4

>  <ALogP> (36)
3.686

>  <HBA_Count> (36)
5

>  <HBD_Count> (36)
1

>  <Num_RotatableBonds> (36)
12

>  <Name> (36)
Cilnidipine.cdx

$$$$
Felodipine.cdx
csChFnd80/07131713462D

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IL Receptor

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 10  2  1  0  0  0  0
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M  END
>  <Mol_ID> (42)
42

>  <Formula> (42)
C20H19BrN4O3

>  <MolWeight> (42)
443.29386

>  <Item Name> (42)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (42)
S1130

>  <Synonyms> (42)
N/A

>  <Target> (42)
Survivin

>  <Form> (42)
Bromide

>  <URL> (42)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (42)
781661-94-7

>  <ALogP> (42)
-0.733

>  <HBA_Count> (42)
5

>  <HBD_Count> (42)
0

>  <Num_RotatableBonds> (42)
5

>  <Name> (42)
S1130.cdx

$$$$
Droxinostat.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (43)
43

>  <Formula> (43)
C11H14ClNO3

>  <MolWeight> (43)
243.68676

>  <Item Name> (43)
Droxinostat

>  <Catalog Number> (43)
S1422

>  <Synonyms> (43)
N/A

>  <Target> (43)
HDAC

>  <Form> (43)
Free Base

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

>  <CAS Number> (43)
99873-43-5

>  <ALogP> (43)
2.4

>  <HBA_Count> (43)
2

>  <HBD_Count> (43)
1

>  <Num_RotatableBonds> (43)
5

>  <Name> (43)
Droxinostat.cdx

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/07131713462D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (44)
44

>  <Formula> (44)
C24H35Cl2N3O4

>  <MolWeight> (44)
500.4584

>  <Item Name> (44)
Ranolazine dihydrochloride

>  <Catalog Number> (44)
S1425

>  <Synonyms> (44)
RS 43285-193, RS-43285, Ranexa, renolazine

>  <Target> (44)
Calcium Channel

>  <Form> (44)
Dihydrochloride

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

>  <CAS Number> (44)
95635-56-6

>  <ALogP> (44)
3.755

>  <HBA_Count> (44)
3

>  <HBD_Count> (44)
2

>  <Num_RotatableBonds> (44)
9

>  <Name> (44)
Ranolazine dihydrochloride.cdx

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/07131713462D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C31H31ClFN7O2

>  <MolWeight> (45)
588.0749432

>  <Item Name> (45)
Aurora A Inhibitor I

>  <Catalog Number> (45)
S1451

>  <Synonyms> (45)
N/A

>  <Target> (45)
Aurora Kinase

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

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

>  <ALogP> (45)
5.621

>  <HBA_Count> (45)
4

>  <HBD_Count> (45)
3

>  <Num_RotatableBonds> (45)
9

>  <Name> (45)
Aurora A Inhibitor I.cdx

$$$$
PHA-6806320.cdx
csChFnd80/07131713462D

 37 41  0  0  0  0  0  0  0  0999 V2000
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Aurora Kinase

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Fasudil HCl.cdx
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    2.4249    6.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9108    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5431    5.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1480    2.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    1.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    0.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1388    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
  2  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  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 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 12  1  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C14H18ClN3O2S

>  <MolWeight> (54)
327.82962

>  <Item Name> (54)
Fasudil HCl (HA-1077)

>  <Catalog Number> (54)
S1573

>  <Synonyms> (54)
AT-877

>  <Target> (54)
ROCK

>  <Form> (54)
Hydrochloride

>  <URL> (54)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (54)
105628-07-7

>  <ALogP> (54)
0.57

>  <HBA_Count> (54)
3

>  <HBD_Count> (54)
1

>  <Num_RotatableBonds> (54)
2

>  <Name> (54)
Fasudil HCl.cdx

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/07131713462D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  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
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    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
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  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  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 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
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 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  1  0  0  0  0
 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C19H21N3O5

>  <MolWeight> (55)
371.38714

>  <Item Name> (55)
Isradipine (Dynacirc)

>  <Catalog Number> (55)
S1662

>  <Synonyms> (55)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin

>  <Target> (55)
Calcium Channel

>  <Form> (55)
Free Base

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

>  <CAS Number> (55)
75695-93-1

>  <ALogP> (55)
2.168

>  <HBA_Count> (55)
7

>  <HBD_Count> (55)
1

>  <Num_RotatableBonds> (55)
6

>  <Name> (55)
DYNACIRC (isradipine).cdx

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/07131713462D

 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> (56)
56

>  <Formula> (56)
C9H11F2N3O4

>  <MolWeight> (56)
263.1981464

>  <Item Name> (56)
Gemcitabine (Gemzar)

>  <Catalog Number> (56)
S1714

>  <Synonyms> (56)
Gemzar

>  <Target> (56)
Autophagy,DNA/RNA Synthesis

>  <Form> (56)
Free Base

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

>  <CAS Number> (56)
95058-81-4

>  <ALogP> (56)
-1.394

>  <HBA_Count> (56)
3

>  <HBD_Count> (56)
3

>  <Num_RotatableBonds> (56)
2

>  <Name> (56)
GEMCITABINE (gemcitabine).cdx

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/07131713462D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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  1  1  0  0  0  0
  7  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  8  1  0  0  0  0
  3 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  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (57)
57

>  <Formula> (57)
C15H12N2O

>  <MolWeight> (57)
236.26858

>  <Item Name> (57)
Carbamazepine (Carbatrol)

>  <Catalog Number> (57)
S1693

>  <Synonyms> (57)
Equetro, Tegretol, Biston

>  <Target> (57)
Autophagy,Sodium Channel

>  <Form> (57)
Free Base

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

>  <CAS Number> (57)
298-46-4

>  <ALogP> (57)
2.679

>  <HBA_Count> (57)
1

>  <HBD_Count> (57)
1

>  <Num_RotatableBonds> (57)
0

>  <Name> (57)
CARBAMAZEPINE (carbamazepine).cdx

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/07131713462D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    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  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (58)
58

>  <Formula> (58)
C16H31NaO4

>  <MolWeight> (58)
310.40471

>  <Item Name> (58)
Divalproex sodium

>  <Catalog Number> (58)
S1703

>  <Synonyms> (58)
Depakote, Epival

>  <Target> (58)
HDAC

>  <Form> (58)
Sodium Salt

>  <URL> (58)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (58)
76584-70-8

>  <ALogP> (58)
4.025

>  <HBA_Count> (58)
1

>  <HBD_Count> (58)
0

>  <Num_RotatableBonds> (58)
10

>  <Name> (58)
DIVALPROEX (divalproex sodium).cdx

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/07131713462D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    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
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (59)
59

>  <Formula> (59)
C21H26N2O7

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418.44034

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Nimodipine (Nimotop)

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S1747

>  <Synonyms> (59)
Nimotop

>  <Target> (59)
Autophagy,Calcium Channel

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
66085-59-4

>  <ALogP> (59)
2.361

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5

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1

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10

>  <Name> (59)
NIMOTOP (nimodipine).cdx

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (60)
60

>  <Formula> (60)
C32H37NO8

>  <MolWeight> (60)
563.63808

>  <Item Name> (60)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (60)
S1972

>  <Synonyms> (60)
Istubal

>  <Target> (60)
Estrogen/progestogen Receptor

>  <Form> (60)
Citrate

>  <URL> (60)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (60)
54965-24-1

>  <ALogP> (60)
1.966

>  <HBA_Count> (60)
4

>  <HBD_Count> (60)
0

>  <Num_RotatableBonds> (60)
13

>  <Name> (60)
Nolvadex (Tamoxifen Citrate).cdx

$$$$
KW2449.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C20H20N4O

>  <MolWeight> (61)
332.399

>  <Item Name> (61)
KW 2449

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S2158

>  <Synonyms> (61)
N/A

>  <Target> (61)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/KW-2449.html

>  <CAS Number> (61)
1000669-72-6

>  <ALogP> (61)
2.723

>  <HBA_Count> (61)
2

>  <HBD_Count> (61)
2

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3

>  <Name> (61)
KW2449.cdx

$$$$

csChFnd80/07131713462D

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>  <Mol_ID> (62)
62

>  <Formula> (62)
C24H30ClN3O5

>  <MolWeight> (62)
475.9651

>  <Item Name> (62)
ITF2357 (Givinostat)

>  <Catalog Number> (62)
S2170

>  <Synonyms> (62)
N/A

>  <Target> (62)
HDAC

>  <Form> (62)
HCl & hydrate

>  <URL> (62)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (62)
732302-99-7

>  <ALogP> (62)
4.046

>  <HBA_Count> (62)
3

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2

>  <Num_RotatableBonds> (62)
9

$$$$
MLN2238.cdx
csChFnd80/07131713462D

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Proteasome

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Pim

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mTOR

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 30 53  1  1  0  0  0
 41 54  1  1  0  0  0
M  END
>  <Mol_ID> (66)
67

>  <Formula> (66)
C38H72N2O12

>  <MolWeight> (66)
748.98448

>  <Item Name> (66)
Azithromycin

>  <Catalog Number> (66)
s1835

>  <Synonyms> (66)
CP-62993, XZ-450

>  <Target> (66)
autophagy

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (66)
83905-01-5

>  <ALogP> (66)
2.078

>  <HBA_Count> (66)
7

>  <HBD_Count> (66)
3

>  <Num_RotatableBonds> (66)
7

>  <Name> (66)
Azithromycin.cdx

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (67)
68

>  <Formula> (67)
C20H25ClN2O5

>  <MolWeight> (67)
408.8759

>  <Item Name> (67)
Amlodipine (Norvasc)

>  <Catalog Number> (67)
S1905

>  <Synonyms> (67)
Istin, Norvasc, Caduet

>  <Target> (67)
Calcium Channel

>  <Form> (67)
Free Base

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

>  <CAS Number> (67)
88150-42-9

>  <ALogP> (67)
1.576

>  <HBA_Count> (67)
5

>  <HBD_Count> (67)
2

>  <Num_RotatableBonds> (67)
10

>  <Name> (67)
AMLODIPINE (amlodipine).cdx

$$$$
Rotundine.cdx
csChFnd80/07131713462D

 27 30  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  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  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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M  END
>  <Mol_ID> (68)
69

>  <Formula> (68)
C21H25NO4

>  <MolWeight> (68)
355.4275

>  <Item Name> (68)
Rotundine

>  <Catalog Number> (68)
S2437

>  <Synonyms> (68)
N/A

>  <Target> (68)
Dopamine Receptor

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
483-14-7

>  <ALogP> (68)
3.599

>  <HBA_Count> (68)
4

>  <HBD_Count> (68)
0

>  <Num_RotatableBonds> (68)
4

>  <Name> (68)
Rotundine.cdx

$$$$
Parthenolide.cdx
csChFnd80/07131713462D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (69)
70

>  <Formula> (69)
C15H20O3

>  <MolWeight> (69)
248.3175

>  <Item Name> (69)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (69)
S2341

>  <Synonyms> (69)
N/A

>  <Target> (69)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (69)
Free Base

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

>  <CAS Number> (69)
20554-84-1

>  <ALogP> (69)
2.923

>  <HBA_Count> (69)
3

>  <HBD_Count> (69)
0

>  <Num_RotatableBonds> (69)
0

>  <Name> (69)
Parthenolide.cdx

$$$$
Chrysophanic acid.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (70)
71

>  <Formula> (70)
C15H10O4

>  <MolWeight> (70)
254.2375

>  <Item Name> (70)
Chrysophanic acid (Chrysophanol)

>  <Catalog Number> (70)
S2406

>  <Synonyms> (70)
Chrysophanol, NSC 37132, NSC 646567

>  <Target> (70)
EGFR, mTOR

>  <Form> (70)
Free Base

>  <URL> (70)
http://www.selleckchem.com/products/Chrysophanic-acid-Chrysophanol.html

>  <CAS Number> (70)
481-74-3

>  <ALogP> (70)
2.81

>  <HBA_Count> (70)
2

>  <HBD_Count> (70)
2

>  <Num_RotatableBonds> (70)
0

>  <Name> (70)
Chrysophanic acid.cdx

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07131713462D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (71)
72

>  <Formula> (71)
C18H29ClN2O

>  <MolWeight> (71)
324.88866

>  <Item Name> (71)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (71)
S2454

>  <Synonyms> (71)
Marcain, Marcaine, Sensorcaine, Vivacaine

>  <Target> (71)
Sodium Channel

>  <Form> (71)
Hydrochloride

>  <URL> (71)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (71)
18010-40-7

>  <ALogP> (71)
4.692

>  <HBA_Count> (71)
1

>  <HBD_Count> (71)
1

>  <Num_RotatableBonds> (71)
5

>  <Name> (71)
Bupivacaine hydrochloride.cdx

$$$$
Clonidine HCl.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (72)
73

>  <Formula> (72)
C9H10Cl3N3

>  <MolWeight> (72)
266.5548

>  <Item Name> (72)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (72)
S2458

>  <Synonyms> (72)
Catapres

>  <Target> (72)
Adrenergic Receptor

>  <Form> (72)
Hydrochloride

>  <URL> (72)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (72)
4205-91-8

>  <ALogP> (72)
2.736

>  <HBA_Count> (72)
1

>  <HBD_Count> (72)
2

>  <Num_RotatableBonds> (72)
2

>  <Name> (72)
Clonidine HCl.cdx

$$$$
Loperamide HCl.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (73)
74

>  <Formula> (73)
C29H34Cl2N2O2

>  <MolWeight> (73)
513.49846

>  <Item Name> (73)
Loperamide hydrochloride

>  <Catalog Number> (73)
S2480

>  <Synonyms> (73)
N/A

>  <Target> (73)
Opioid Receptor

>  <Form> (73)
Hydrochloride

>  <URL> (73)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (73)
34552-83-5

>  <ALogP> (73)
5.017

>  <HBA_Count> (73)
1

>  <HBD_Count> (73)
0

>  <Num_RotatableBonds> (73)
7

>  <Name> (73)
Loperamide HCl.cdx

$$$$
MLN9708.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (74)
156

>  <Formula> (74)
C20H23BCl2N2O9

>  <MolWeight> (74)
517.12162

>  <Item Name> (74)
MLN9708

>  <Catalog Number> (74)
S2181

>  <Synonyms> (74)
N/A

>  <Target> (74)
Proteasome

>  <Form> (74)
Free Base

>  <URL> (74)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (74)
1201902-80-8

>  <ALogP> (74)
3.497

>  <HBA_Count> (74)
7

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2

>  <Num_RotatableBonds> (74)
10

>  <Name> (74)
MLN9708.cdx

$$$$
Manidipine.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C35H38N4O6

>  <MolWeight> (75)
610.69942

>  <Item Name> (75)
Manidipine (Manyper)

>  <Catalog Number> (75)
S2481

>  <Synonyms> (75)
Artedil, Iperten

>  <Target> (75)
Calcium Channel

>  <Form> (75)
Free Base

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

>  <CAS Number> (75)
89226-50-6

>  <ALogP> (75)
5.058

>  <HBA_Count> (75)
4

>  <HBD_Count> (75)
1

>  <Num_RotatableBonds> (75)
12

>  <Name> (75)
Manidipine.cdx

$$$$
TAK-901.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C28H32N4O3S

>  <MolWeight> (76)
504.64368

>  <Item Name> (76)
TAK-901

>  <Catalog Number> (76)
S2718

>  <Synonyms> (76)
N/A

>  <Target> (76)
Aurora Kinase

>  <Form> (76)
Free Base

>  <URL> (76)
http://www.selleckchem.com/products/tak-901.html

>  <CAS Number> (76)
934541-31-8

>  <ALogP> (76)
4.056

>  <HBA_Count> (76)
4

>  <HBD_Count> (76)
2

>  <Num_RotatableBonds> (76)
5

>  <Name> (76)
TAK-901.cdx

$$$$
AMG900.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C28H21N7OS

>  <MolWeight> (77)
503.57764

>  <Item Name> (77)
AMG 900

>  <Catalog Number> (77)
S2719

>  <Synonyms> (77)
N/A

>  <Target> (77)
Aurora Kinase

>  <Form> (77)
Free Base

>  <URL> (77)
http://www.selleckchem.com/products/amg-900.html

>  <CAS Number> (77)
945595-80-2

>  <ALogP> (77)
6.487

>  <HBA_Count> (77)
6

>  <HBD_Count> (77)
2

>  <Num_RotatableBonds> (77)
6

>  <Name> (77)
AMG900.cdx

$$$$
Manidipine HCl.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C35H40Cl2N4O6

>  <MolWeight> (78)
683.6213

>  <Item Name> (78)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (78)
S2482

>  <Synonyms> (78)
N/A

>  <Target> (78)
Calcium Channel

>  <Form> (78)
Dihydrochloride

>  <URL> (78)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (78)
89226-75-5

>  <ALogP> (78)
5.822

>  <HBA_Count> (78)
4

>  <HBD_Count> (78)
1

>  <Num_RotatableBonds> (78)
12

>  <Name> (78)
Manidipine HCl.cdx

$$$$
Nitrendipine.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C18H20N2O6

>  <MolWeight> (79)
360.3612

>  <Item Name> (79)
Nitrendipine

>  <Catalog Number> (79)
S2491

>  <Synonyms> (79)
N/A

>  <Target> (79)
Calcium Channel

>  <Form> (79)
Free Base

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

>  <CAS Number> (79)
39562-70-4

>  <ALogP> (79)
2.115

>  <HBA_Count> (79)
4

>  <HBD_Count> (79)
1

>  <Num_RotatableBonds> (79)
7

>  <Name> (79)
Nitrendipine.cdx

$$$$
GSK2126458.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C25H17F2N5O3S

>  <MolWeight> (80)
505.4959864

>  <Item Name> (80)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (80)
S2658

>  <Synonyms> (80)
N/A

>  <Target> (80)
PI3K, mTOR

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (80)
1086062-66-9

>  <ALogP> (80)
3.705

>  <HBA_Count> (80)
7

>  <HBD_Count> (80)
1

>  <Num_RotatableBonds> (80)
6

>  <Name> (80)
GSK2126458.cdx

$$$$
TAME.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C14H22N4O4S

>  <MolWeight> (81)
342.41388

>  <Item Name> (81)
TAME

>  <Catalog Number> (81)
S2225

>  <Synonyms> (81)
N/A

>  <Target> (81)
APC

>  <Form> (81)
Free Base

>  <URL> (81)
http://www.selleckchem.com/products/TAME.html

>  <CAS Number> (81)
901-47-3

>  <ALogP> (81)
0.749

>  <HBA_Count> (81)
4

>  <HBD_Count> (81)
3

>  <Num_RotatableBonds> (81)
10

>  <Name> (81)
TAME.cdx

$$$$
MG132.cdx
csChFnd80/07131713462D

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$$$$
Geldanamycin.cdx
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C29H40N2O9

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>  <Target> (87)
HSP

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Free Base

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30562-34-6

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Geldanamycin.cdx

$$$$
MK-5108.cdx
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>  <Mol_ID> (88)
88

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C22H21ClFN3O3S

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>  <Item Name> (88)
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>  <Catalog Number> (88)
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>  <Synonyms> (88)
N/A

>  <Target> (88)
Aurora Kinase

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/mk-5108-vx-689.html

>  <CAS Number> (88)
1010085-13-8

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>  <Name> (88)
MK-5108.cdx

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (89)
89

>  <Formula> (89)
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>  <Item Name> (89)
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>  <Catalog Number> (89)
S2627

>  <Synonyms> (89)
N/A

>  <Target> (89)
HDAC

>  <Form> (89)
Hydrochloride

>  <URL> (89)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

>  <CAS Number> (89)
1310693-92-5

>  <ALogP> (89)
3.463

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>  <Name> (89)
Tubastatin A hydrochloride.cdx

$$$$
PF-04691502.cdx
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M  END
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90

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C22H27N5O4

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S2743

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N/A

>  <Target> (90)
mTOR, PI3K, Akt

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Free Base

>  <URL> (90)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (90)
1013101-36-4

>  <ALogP> (90)
1.616

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>  <Name> (90)
PF-04691502.cdx

$$$$
Lacidipine.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (91)
91

>  <Formula> (91)
C26H33NO6

>  <MolWeight> (91)
455.54332

>  <Item Name> (91)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (91)
S1994

>  <Synonyms> (91)
Lacipil, Motens

>  <Target> (91)
Calcium Channel

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (91)
103890-78-4

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3.824

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11

>  <Name> (91)
Lacidipine.cdx

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C15H25ClN2O2

>  <MolWeight> (92)
300.8242

>  <Item Name> (92)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (92)
S2573

>  <Synonyms> (92)
N/A

>  <Target> (92)
Calcium Channel

>  <Form> (92)
Hydrochloride

>  <URL> (92)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (92)
136-47-0

>  <ALogP> (92)
3.343

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>  <Name> (92)
Tetracaine hydrochloride.cdx

$$$$
NVP-BGT226.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (93)
93

>  <Formula> (93)
C32H29F3N6O6

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650.6044696

>  <Item Name> (93)
NVP-BGT226

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S2749

>  <Synonyms> (93)
N/A

>  <Target> (93)
PI3K, mTOR

>  <Form> (93)
Maleate

>  <URL> (93)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (93)
1245537-68-1

>  <ALogP> (93)
1.618

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6

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>  <Name> (93)
NVP-BGT226.cdx

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (94)
94

>  <Formula> (94)
C25H30ClI2NO3

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>  <Item Name> (94)
Amiodarone HCl

>  <Catalog Number> (94)
S1979

>  <Synonyms> (94)
N/A

>  <Target> (94)
Potassium Channel

>  <Form> (94)
Hydrochloride

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

>  <CAS Number> (94)
19774-82-4

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Amiodarone hydrochloride.cdx

$$$$
3-Methyladenine.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C6H7N5

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S2767

>  <Synonyms> (95)
3-MA

>  <Target> (95)
PI3K

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/3-methyladenine.html

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5142-23-4

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3-Methyladenine.cdx

$$$$
CEP-18770.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (96)
96

>  <Formula> (96)
C21H28BN3O5

>  <MolWeight> (96)
413.27512

>  <Item Name> (96)
Delanzomib (CEP-18770)

>  <Catalog Number> (96)
S1157

>  <Synonyms> (96)
N/A

>  <Target> (96)
Proteasome

>  <Form> (96)
Free Base

>  <URL> (96)
http://www.selleckchem.com/products/cep-18770.html

>  <CAS Number> (96)
847499-27-8

>  <ALogP> (96)
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>  <HBA_Count> (96)
3

>  <HBD_Count> (96)
3

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>  <Name> (96)
CEP-18770.cdx

$$$$
PCI-34051.cdx
csChFnd80/07131713462D

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97

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C17H16N2O3

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HDAC

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950762-95-5

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>  <Name> (97)
PCI-34051.cdx

$$$$
CUDC-907.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (98)
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HDAC, PI3K

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>  <URL> (98)
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>  <Name> (98)
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$$$$
Nocodazole.cdx
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S2817

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N/A

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mTOR

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Free Base

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http://www.selleckchem.com/products/torin-2.html

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1223001-51-1

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Torin 2.cdx

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104

>  <Formula> (104)
C15H15N3O2

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269.2985

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CI994 (Tacedinaline)

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S2818

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PD-123654

>  <Target> (104)
HDAC

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/ci994-tacedinaline.html

>  <CAS Number> (104)
112522-64-2

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0.988

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2

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3

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CI994.cdx

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Sodium valproate.cdx
csChFnd80/07131713462D

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105

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C8H15NaO2

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166.19327

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Valproic acid sodium salt (Sodium valproate)

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S1168

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N/A

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GABA Receptor, HDAC

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Sodium salt 

>  <URL> (105)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (105)
1069-66-5

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Sodium valproate.cdx

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csChFnd80/07131713462D

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106

>  <Formula> (106)
C13H10N2O4

>  <MolWeight> (106)
258.2295

>  <Item Name> (106)
Thalidomide

>  <Catalog Number> (106)
S1193

>  <Synonyms> (106)
Thalomid

>  <Target> (106)
E3 Ligase ,TNF-alpha

>  <Form> (106)
Free Base

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

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50-35-1

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0.097

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Thalidomide.cdx

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/07131713462D

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107

>  <Formula> (107)
C21H26Cl2F3N3S

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480.4174496

>  <Item Name> (107)
Trifluoperazine 2HCl

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S3201

>  <Synonyms> (107)
N/A

>  <Target> (107)
Dopamine Receptor

>  <Form> (107)
2HCl

>  <URL> (107)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (107)
440-17-5

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5.739

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Trifluoperazine dihydrochloride.cdx

$$$$
carfilzomib(PR-171).cdx
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M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C40H57N5O7

>  <MolWeight> (108)
719.90988

>  <Item Name> (108)
Carfilzomib (PR-171)

>  <Catalog Number> (108)
S2853

>  <Synonyms> (108)
N/A

>  <Target> (108)
Proteasome

>  <Form> (108)
Free Base

>  <URL> (108)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (108)
868540-17-4

>  <ALogP> (108)
3.799

>  <HBA_Count> (108)
7

>  <HBD_Count> (108)
4

>  <Num_RotatableBonds> (108)
20

>  <Name> (108)
carfilzomib(PR-171).cdx

$$$$
Azelnidipine.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C33H34N4O6

>  <MolWeight> (109)
582.64626

>  <Item Name> (109)
Azelnidipine

>  <Catalog Number> (109)
S3053

>  <Synonyms> (109)
N/A

>  <Target> (109)
Calcium Channel

>  <Form> (109)
Free Base

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

>  <CAS Number> (109)
123524-52-7

>  <ALogP> (109)
4.941

>  <HBA_Count> (109)
4

>  <HBD_Count> (109)
2

>  <Num_RotatableBonds> (109)
11

>  <Name> (109)
Azelnidipine.cdx

$$$$
Forskolin.cdx
csChFnd80/07131713462D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C22H34O7

>  <MolWeight> (110)
410.50116

>  <Item Name> (110)
Forskolin

>  <Catalog Number> (110)
S2449

>  <Synonyms> (110)
Coleonol

>  <Target> (110)
cAMP

>  <Form> (110)
Free Base

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

>  <CAS Number> (110)
66575-29-9

>  <ALogP> (110)
0.837

>  <HBA_Count> (110)
4

>  <HBD_Count> (110)
2

>  <Num_RotatableBonds> (110)
3

>  <Name> (110)
Forskolin.cdx

$$$$
IOX2.cdx
csChFnd80/07131713462D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C19H16N2O5

>  <MolWeight> (111)
352.34074

>  <Item Name> (111)
IOX2

>  <Catalog Number> (111)
S2919

>  <Synonyms> (111)
N/A

>  <Target> (111)
HIF

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/iox2.html

>  <CAS Number> (111)
931398-72-0

>  <ALogP> (111)
1.153

>  <HBA_Count> (111)
3

>  <HBD_Count> (111)
2

>  <Num_RotatableBonds> (111)
5

>  <Name> (111)
IOX2.cdx

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/07131713462D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C26H28Cl2F2N2

>  <MolWeight> (112)
477.4167264

>  <Item Name> (112)
Flunarizine 2HCl

>  <Catalog Number> (112)
S2030

>  <Synonyms> (112)
N/A

>  <Target> (112)
Calcium Channel

>  <Form> (112)
2HCl

>  <URL> (112)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (112)
30484-77-6

>  <ALogP> (112)
6.699

>  <HBA_Count> (112)
0

>  <HBD_Count> (112)
0

>  <Num_RotatableBonds> (112)
6

>  <Name> (112)
Flunarizine dihydrochloride.cdx

$$$$
Cleviprex.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C21H23Cl2NO6

>  <MolWeight> (113)
456.31642

>  <Item Name> (113)
Clevidipine Butyrate

>  <Catalog Number> (113)
S2080

>  <Synonyms> (113)
N/A

>  <Target> (113)
Calcium Channel

>  <Form> (113)
Free Base

>  <URL> (113)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (113)
167221-71-8

>  <ALogP> (113)
4.145

>  <HBA_Count> (113)
6

>  <HBD_Count> (113)
1

>  <Num_RotatableBonds> (113)
10

>  <Name> (113)
Cleviprex.cdx

$$$$
Gabexate mesylate.cdx
csChFnd80/07131713462D

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M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C17H27N3O7S

>  <MolWeight> (114)
417.47718

>  <Item Name> (114)
Gabexate mesylate

>  <Catalog Number> (114)
S2101

>  <Synonyms> (114)
N/A

>  <Target> (114)
Proteasome

>  <Form> (114)
Mesylate

>  <URL> (114)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (114)
56974-61-9

>  <ALogP> (114)
1.774

>  <HBA_Count> (114)
4

>  <HBD_Count> (114)
2

>  <Num_RotatableBonds> (114)
12

>  <Name> (114)
Gabexate mesylate.cdx

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/07131713462D

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>  <Mol_ID> (115)
115

>  <Formula> (115)
C19H19N3O6

>  <MolWeight> (115)
385.37066

>  <Item Name> (115)
Nilvadipine (ARC029)

>  <Catalog Number> (115)
S2721

>  <Synonyms> (115)
N/A

>  <Target> (115)
Calcium Channel

>  <Form> (115)
Free Base

>  <URL> (115)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (115)
75530-68-6

>  <ALogP> (115)
2.087

>  <HBA_Count> (115)
4

>  <HBD_Count> (115)
1

>  <Num_RotatableBonds> (115)
7

>  <Name> (115)
ARC029(Nilvadipine).cdx

$$$$
aspirin.cdx
csChFnd80/07131713462D

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Pim

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$$$$
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p53

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csChFnd80/07131713462D

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PF-06405761

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Epigenetic Reader Domain

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PF-06405761.cdx

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/07131713462D

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Proteasome

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$$$$
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csChFnd80/07131713462D

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Autophagy

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OCUSULF-10 (sulfacetamide sodium).cdx

$$$$
sodium phenylbutyrate.cdx
csChFnd80/07131713462D

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HDAC

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$$$$
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136

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S7129

>  <Synonyms> (136)
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>  <Target> (136)
E1 Activating

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/pyr-41.html

>  <CAS Number> (136)
418805-02-4

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csChFnd80/07131713462D

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>  <Formula> (137)
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>  <MolWeight> (137)
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>  <Item Name> (137)
Brefeldin A

>  <Catalog Number> (137)
S7046

>  <Synonyms> (137)
BFA

>  <Target> (137)
ATPase

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/brefeldin-a.html

>  <CAS Number> (137)
20350-15-6

>  <ALogP> (137)
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brefeldin A.cdx

$$$$
NMS-873.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (138)
138

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NMS-873

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S7285

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p97

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Free Base

>  <URL> (138)
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>  <CAS Number> (138)
1418013-75-8

>  <ALogP> (138)
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NMS-873.cdx

$$$$
GNE-0877.cdx
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>  <Mol_ID> (139)
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>  <Target> (139)
Others

>  <Form> (139)
Free Base

>  <URL> (139)
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>  <CAS Number> (139)
1374828-69-9

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GNE-0877.cdx

$$$$
Vincristine Sulfate.cdx
csChFnd80/07131713462D

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Vincristine Sulfate

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Leurocristine

>  <Target> (140)
Autophagy,Microtubule Associated

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Sulfate

>  <URL> (140)
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2068-78-2

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Vincristine Sulfate.cdx

$$$$
GNE7915.cdx
csChFnd80/07131713462D

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>  <Mol_ID> (141)
141

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C19H21F4N5O3

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GNE-7915

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S7528

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N/A

>  <Target> (141)
Others

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/gne-7915.html

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1351761-44-8

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GNE7915.cdx

$$$$
Temsirolimus.cdx
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S1044

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N/A

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mTOR

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Free Base

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162635-04-3

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Temsirolimus.cdx

$$$$
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LRRK2

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Free Base

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1536200-31-3

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GNE-9605.cdx

$$$$
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PPLGM

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ROS,CRM

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Free Base

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20069-09-4

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Piperlongumine.cdx

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>  <Mol_ID> (145)
145

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LRRK2

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Free Base

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1285515-21-0

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GSK2578215A.cdx

$$$$
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