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>  <Mol_ID> (1)
1

>  <Formula> (1)
C42H45ClN6O5S2

>  <MolWeight> (1)
813.4269

>  <Cat> (1)
S1002

>  <Name> (1)
ABT-737

>  <Synonyms> (1)
N/A

>  <Target> (1)
Bcl-2 

>  <Form> (1)
Free Base

>  <CAS> (1)
852808-04-9

>  <URL> (1)
http://www.selleckchem.com/products/ABT-737.html

$$$$
untitled.cdx
csChFnd80/06182009382D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (2)
4

>  <Formula> (2)
C22H18N4OS

>  <MolWeight> (2)
386.46952

>  <Cat> (2)
S1005

>  <Name> (2)
Axitinib

>  <Synonyms> (2)
AG 013736

>  <Target> (2)
VEGFR, PDGFR, c-Kit

>  <Form> (2)
Free Base

>  <CAS> (2)
319460-85-0

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

$$$$
untitled.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (3)
8

>  <Formula> (3)
C19H25BN4O4

>  <MolWeight> (3)
384.2372

>  <Cat> (3)
S1013

>  <Name> (3)
Bortezomib (Velcade)

>  <Synonyms> (3)
MG-341, PS-341

>  <Target> (3)
Proteasome

>  <Form> (3)
Free Base

>  <CAS> (3)
179324-69-7

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

$$$$
Dasatinib.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (4)
12

>  <Formula> (4)
C22H26ClN7O2S

>  <MolWeight> (4)
488.00554

>  <Cat> (4)
S1021

>  <Name> (4)
Dasatinib

>  <Synonyms> (4)
BMS-354825

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Src, Bcr-Abl, c-Kit

>  <Form> (4)
Free Base

>  <CAS> (4)
302962-49-8

>  <URL> (4)
http://www.selleckchem.com/products/Dasatinib.html

$$$$
untitled.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (5)
15

>  <Formula> (5)
C22H24ClFN4O3

>  <MolWeight> (5)
446.9023632

>  <Cat> (5)
S1025

>  <Name> (5)
Gefitinib (ZD1839)

>  <Synonyms> (5)
N/A

>  <Target> (5)
EGFR

>  <Form> (5)
Free Base

>  <CAS> (5)
184475-35-2

>  <URL> (5)
http://www.selleckchem.com/products/Gefitinib.html

$$$$
untitled.cdx
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>  <Mol_ID> (6)
21

>  <Formula> (6)
C28H22F3N7O

>  <MolWeight> (6)
529.5157896

>  <Cat> (6)
S1033

>  <Name> (6)
Nilotinib (AMN-107)

>  <Synonyms> (6)
Tasigna 

>  <Target> (6)
Bcr-Abl

>  <Form> (6)
Free Base

>  <CAS> (6)
641571-10-0

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

$$$$
RAPAMYCIN.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (7)
27

>  <Formula> (7)
C51H79NO13

>  <MolWeight> (7)
914.17186

>  <Cat> (7)
S1039

>  <Name> (7)
Rapamycin (Sirolimus)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
mTOR 

>  <Form> (7)
Free Base

>  <CAS> (7)
53123-88-9

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

$$$$
1.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (8)
37

>  <Formula> (8)
C21H23N3O4S

>  <MolWeight> (8)
413.49002

>  <Cat> (8)
S1057

>  <Name> (8)
Obatoclax mesylate (GX15-070)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
Bcl-2 

>  <Form> (8)
Mesylate

>  <CAS> (8)
803712-79-0

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

$$$$
AZD2281.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (9)
38

>  <Formula> (9)
C24H23FN4O3

>  <MolWeight> (9)
434.4628232

>  <Cat> (9)
S1060

>  <Name> (9)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (9)
KU-0059436 

>  <Target> (9)
PARP 

>  <Form> (9)
Free Base

>  <CAS> (9)
763113-22-0

>  <URL> (9)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
NVP-AUY922 .cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (10)
43

>  <Formula> (10)
C26H31N3O5

>  <MolWeight> (10)
465.54144

>  <Cat> (10)
S1069

>  <Name> (10)
Luminespib (AUY-922, NVP-AUY922)

>  <Synonyms> (10)
VER-52296

>  <Target> (10)
HSP

>  <Form> (10)
Free Base

>  <CAS> (10)
747412-49-3

>  <URL> (10)
http://www.selleckchem.com/products/NVP-AUY922.html

$$$$
XL-184 free base.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (11)
80

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C28H24FN3O5

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Cabozantinib (XL184, BMS-907351)

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N/A

>  <Target> (11)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (11)
Free Base

>  <CAS> (11)
849217-68-1

>  <URL> (11)
http://www.selleckchem.com/products/XL184.html

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

>  <Formula> (12)
C31H43N3O8

>  <MolWeight> (12)
585.68842

>  <Cat> (12)
S1141

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

>  <Synonyms> (12)
N/A 

>  <Target> (12)
HSP

>  <Form> (12)
Free Base

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

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

$$$$
BIIB021 (CNF2024).cdx
csChFnd80/06182009382D

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>  <Mol_ID> (13)
104

>  <Formula> (13)
C14H15ClN6O

>  <MolWeight> (13)
318.7615

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S1175

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BIIB021

>  <Synonyms> (13)
CNF2024

>  <Target> (13)
HSP

>  <Form> (13)
Free Base

>  <CAS> (13)
848695-25-0

>  <URL> (13)
http://www.selleckchem.com/products/BIIB021.html

$$$$
BAY 73-4506.cdx
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>  <Mol_ID> (14)
107

>  <Formula> (14)
C21H15ClF4N4O3

>  <MolWeight> (14)
482.8154128

>  <Cat> (14)
S1178

>  <Name> (14)
Regorafenib (BAY 73-4506)

>  <Synonyms> (14)
BAY 73-4506

>  <Target> (14)
c-Kit, Raf, VEGFR

>  <Form> (14)
Free Base

>  <CAS> (14)
755037-03-7

>  <URL> (14)
http://www.selleckchem.com/products/BAY-73-4506.html

$$$$
Ritonavir.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (15)
112

>  <Formula> (15)
C37H48N6O5S2

>  <MolWeight> (15)
720.94422

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S1185

>  <Name> (15)
Ritonavir

>  <Synonyms> (15)
Norvir, Norvir Softgel

>  <Target> (15)
HIV Protease

>  <Form> (15)
Free Base

>  <CAS> (15)
155213-67-5

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

$$$$
PLX-4032.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (16)
159

>  <Formula> (16)
C23H18ClF2N3O3S

>  <MolWeight> (16)
489.9221264

>  <Cat> (16)
S1267

>  <Name> (16)
Vemurafenib (PLX4032, RG7204)

>  <Synonyms> (16)
RO5185426

>  <Target> (16)
Raf 

>  <Form> (16)
Free Base

>  <CAS> (16)
918504-65-1

>  <URL> (16)
http://www.selleckchem.com/products/PLX-4032.html

$$$$
Nizatidine.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (17)
180

>  <Formula> (17)
C12H21N5O2S2

>  <MolWeight> (17)
331.45744

>  <Cat> (17)
S1890

>  <Name> (17)
Nizatidine

>  <Synonyms> (17)
Axid

>  <Target> (17)
Histamine Receptor

>  <Form> (17)
Free Base

>  <CAS> (17)
76963-41-2

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

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (18)
230

>  <Formula> (18)
C22H23ClN2O2

>  <MolWeight> (18)
382.88322

>  <Cat> (18)
S1358

>  <Name> (18)
Loratadine

>  <Synonyms> (18)
Alavert, Claritin

>  <Target> (18)
Histamine Receptor

>  <Form> (18)
Free Base

>  <CAS> (18)
79794-75-5

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

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (19)
241

>  <Formula> (19)
C37H48N4O5

>  <MolWeight> (19)
628.80082

>  <Cat> (19)
S1380

>  <Name> (19)
Lopinavir (ABT-378)

>  <Synonyms> (19)
ABT-378

>  <Target> (19)
HIV Protease

>  <Form> (19)
Free Base

>  <CAS> (19)
192725-17-0

>  <URL> (19)
http://www.selleckchem.com/products/Lopinavir.html

$$$$
S1130.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (20)
255

>  <Formula> (20)
C20H19BrN4O3

>  <MolWeight> (20)
443.29386

>  <Cat> (20)
S1130

>  <Name> (20)
YM155 (Sepantronium Bromide)

>  <Synonyms> (20)
N/A

>  <Target> (20)
Survivin

>  <Form> (20)
Bromide

>  <CAS> (20)
781661-94-7

>  <URL> (20)
http://www.selleckchem.com/products/YM155.html

$$$$
Tigecycline.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (21)
256

>  <Formula> (21)
C29H39N5O8

>  <MolWeight> (21)
585.64866

>  <Cat> (21)
S1403

>  <Name> (21)
Tigecycline

>  <Synonyms> (21)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (21)
Antifection

>  <Form> (21)
Free Base

>  <CAS> (21)
220620-09-7

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

$$$$
AP24534.cdx
csChFnd80/06182009382D

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   16.0522    6.8106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130    5.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3569    7.5510    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  1  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  2  0  0  0  0
  7 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  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
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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
 24 28  1  0  0  0  0
 25 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
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 38 33  1  0  0  0  0
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M  END
>  <Mol_ID> (22)
308

>  <Formula> (22)
C29H27F3N6O

>  <MolWeight> (22)
532.5594896

>  <Cat> (22)
S1490

>  <Name> (22)
Ponatinib (AP24534)

>  <Synonyms> (22)
N/A 

>  <Target> (22)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (22)
Free Base

>  <CAS> (22)
943319-70-8

>  <URL> (22)
http://www.selleckchem.com/products/AP24534.html

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/06182009382D

 20 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
347

>  <Formula> (23)
C13H11N3O4

>  <MolWeight> (23)
273.24414

>  <Cat> (23)
S1567

>  <Name> (23)
Pomalidomide

>  <Synonyms> (23)
CC-4047

>  <Target> (23)
TNF-alpha, COX

>  <Form> (23)
Free Base

>  <CAS> (23)
19171-19-8

>  <URL> (23)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

$$$$
Apixaban.cdx
csChFnd80/06182009382D

 34 38  0  0  0  0  0  0  0  0999 V2000
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   14.0079    1.2573    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  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
  8  9  1  0  0  0  0
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  5 10  1  0  0  0  0
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 15 10  1  0  0  0  0
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  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  2  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
>  <Mol_ID> (24)
357

>  <Formula> (24)
C25H25N5O4

>  <MolWeight> (24)
459.4971

>  <Cat> (24)
S1593

>  <Name> (24)
Apixaban

>  <Synonyms> (24)
N/A

>  <Target> (24)
Factor Xa 

>  <Form> (24)
Free Base

>  <CAS> (24)
503612-47-3

>  <URL> (24)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/06182009382D

 41 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (25)
382

>  <Formula> (25)
C31H33N3O6S

>  <MolWeight> (25)
575.67522

>  <Cat> (25)
S1633

>  <Name> (25)
Zafirlukast (Accolate)

>  <Synonyms> (25)
Accolate, Accoleit, Vanticon

>  <Target> (25)
LTR

>  <Form> (25)
Free Base

>  <CAS> (25)
107753-78-6

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

$$$$
ALTACE (ramipril).cdx
csChFnd80/06182009382D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (26)
464

>  <Formula> (26)
C23H32N2O5

>  <MolWeight> (26)
416.51058

>  <Cat> (26)
S1793

>  <Name> (26)
Ramipril (Altace)

>  <Synonyms> (26)
Tritace

>  <Target> (26)
RAAS

>  <Form> (26)
Free Base

>  <CAS> (26)
87333-19-5

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

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/06182009382D

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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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M  END
>  <Mol_ID> (27)
482

>  <Formula> (27)
C6H7N3O

>  <MolWeight> (27)
137.13928

>  <Cat> (27)
S1937

>  <Name> (27)
Isoniazid (Tubizid)

>  <Synonyms> (27)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (27)
Angiogenesis

>  <Form> (27)
Free Base

>  <CAS> (27)
54-85-3

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

$$$$
untitled.cdx
csChFnd80/06182009382D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (28)
496

>  <Formula> (28)
C23H23ClFNO5

>  <MolWeight> (28)
447.8838232

>  <Cat> (28)
S2001

>  <Name> (28)
Elvitegravir (GS-9137)

>  <Synonyms> (28)
N/A 

>  <Target> (28)
Integrase 

>  <Form> (28)
Free Base

>  <CAS> (28)
697761-98-1

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

$$$$
untitled.cdx
csChFnd80/06182009382D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (29)
497

>  <Formula> (29)
C29H41F2N5O

>  <MolWeight> (29)
513.6655464

>  <Cat> (29)
S2003

>  <Name> (29)
Maraviroc

>  <Synonyms> (29)
UK-427857, Celsentri 

>  <Target> (29)
CCR5 

>  <Form> (29)
Free Base

>  <CAS> (29)
376348-65-1

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

$$$$
Raltegravir.cdx
csChFnd80/06182009382D

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>  <URL> (33)
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$$$$
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M  END
>  <Mol_ID> (34)
633

>  <Formula> (34)
C33H34N6O6

>  <MolWeight> (34)
610.65966

>  <Cat> (34)
S2037

>  <Name> (34)
Candesartan cilexetil (Atacand)

>  <Synonyms> (34)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (34)
RAAS

>  <Form> (34)
Free Base

>  <CAS> (34)
145040-37-5

>  <URL> (34)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

$$$$
E7080.cdx
csChFnd80/06182009382D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (35)
641

>  <Formula> (35)
C21H19ClN4O4

>  <MolWeight> (35)
426.85296

>  <Cat> (35)
S1164

>  <Name> (35)
E7080 (Lenvatinib)

>  <Synonyms> (35)
N/A

>  <Target> (35)
VEGFR

>  <Form> (35)
Free Base

>  <CAS> (35)
417716-92-8

>  <URL> (35)
http://www.selleckchem.com/products/E7080.html

$$$$
Moguisteine.cdx
csChFnd80/06182009382D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
650

>  <Formula> (36)
C16H21NO5S

>  <MolWeight> (36)
339.40664

>  <Cat> (36)
S3104

>  <Name> (36)
Moguisteine

>  <Synonyms> (36)
N/A 

>  <Target> (36)
Others

>  <Form> (36)
Free Base

>  <CAS> (36)
119637-67-1

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

$$$$
LDE225.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (37)
653

>  <Formula> (37)
C26H26F3N3O3

>  <MolWeight> (37)
485.4981496

>  <Cat> (37)
S2151

>  <Name> (37)
LDE225 (NVP-LDE225, Erismodegib)

>  <Synonyms> (37)
N/A 

>  <Target> (37)
Smoothened

>  <Form> (37)
Free Base

>  <CAS> (37)
956697-53-3

>  <URL> (37)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

$$$$
MLN2238.cdx
csChFnd80/06182009382D

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    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6098    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
  9 17  2  0  0  0  0
 12 18  2  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (38)
663

>  <Formula> (38)
C14H19BCl2N2O4

>  <MolWeight> (38)
361.02866

>  <Cat> (38)
S2180

>  <Name> (38)
Ixazomib (MLN2238)

>  <Synonyms> (38)
N/A

>  <Target> (38)
Proteasome 

>  <Form> (38)
Free Base

>  <CAS> (38)
1072833-77-2

>  <URL> (38)
http://www.selleckchem.com/products/MLN-2238.html

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/06182009382D

 22 25  0  0  0  0  0  0  0  0999 V2000
    4.0577    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0577    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    5.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4826    6.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    7.2620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2701    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8955    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2229    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  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  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  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  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
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 12 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 13  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (39)
664

>  <Formula> (39)
C19H19ClN2

>  <MolWeight> (39)
310.82056

>  <Cat> (39)
S4012

>  <Name> (39)
Desloratadine 

>  <Synonyms> (39)
N/A

>  <Target> (39)
Histamine Receptor

>  <Form> (39)
Free Base

>  <CAS> (39)
100643-71-8

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

$$$$

csChFnd80/06182009382D

 52 54  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4243    4.2962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4243    7.0993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    4.2962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0662    4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0662    6.3962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    7.0993    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4274    2.8962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6393    2.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    2.8962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4274    8.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    8.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2119    3.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488   10.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4344    8.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    6.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4185    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6309    7.4586    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8433    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    7.4586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0558    8.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8433    9.5586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6309    8.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8433   10.9537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2640    6.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4227    9.5562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6351   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0516   11.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2157    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2157    2.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4281    1.3523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6406    2.0523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.6406    3.4523    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4281    4.1523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    4.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4382    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    0.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8488    1.3547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7704    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9414    2.6368    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 13  1  0  0  0  0
  4 12  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
  5 11  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
 12 16  1  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  1  0  0  0
  6 19  1  1  0  0  0
  8 20  1  1  0  0  0
  3 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  6  0  0  0
  4 24  1  6  0  0  0
  1 25  1  6  0  0  0
  2 26  1  6  0  0  0
 21 27  1  0  0  0  0
  8 28  1  6  0  0  0
  7 29  1  6  0  0  0
 30 29  1  1  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 30  1  0  0  0  0
 34 36  1  1  0  0  0
 32 37  1  1  0  0  0
 35 38  1  6  0  0  0
 36 39  1  0  0  0  0
 36 40  1  0  0  0  0
 41 42  1  0  0  0  0
 42 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
 46 41  1  0  0  0  0
 45 47  1  1  0  0  0
 43 48  1  1  0  0  0
 43 49  1  6  0  0  0
 44 50  1  6  0  0  0
 49 51  1  0  0  0  0
  5 52  1  1  0  0  0
 52 41  1  6  0  0  0
M  END
>  <Mol_ID> (40)
705

>  <Formula> (40)
C38H72N2O12

>  <MolWeight> (40)
748.98448

>  <Cat> (40)
s1835

>  <Name> (40)
Azithromycin

>  <Synonyms> (40)
CP-62993, XZ-450

>  <Target> (40)
autophagy

>  <Form> (40)
Free Base

>  <CAS> (40)
83905-01-5

>  <URL> (40)
http://www.selleckchem.com/products/azithromycin-zithromax.h

$$$$
Cyclosporin A.cdx
csChFnd80/06182009382D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   11.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   12.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1497   11.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Cyclosporin A

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phosphatase

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59865-13-3

>  <URL> (41)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

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>  <Form> (42)
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>  <CAS> (42)
152459-95-5

>  <URL> (42)
http://www.selleckchem.com/products/Imatinib(STI571).html

$$$$
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936563-96-1

>  <URL> (43)
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366789-02-8

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870281-82-6

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http://www.selleckchem.com/products/CAL-101.html

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Syk

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901119-35-5

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http://www.selleckchem.com/products/R7935788-Fostamatinib.html

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871700-17-3

>  <URL> (47)
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$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (48)
941

>  <Formula> (48)
C24H34O4

>  <MolWeight> (48)
386.52436

>  <Cat> (48)
S2567

>  <Name> (48)
Medroxyprogesterone acetate

>  <Synonyms> (48)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (48)
Estrogen/progestogen Receptor

>  <Form> (48)
Free Base

>  <CAS> (48)
71-58-9

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

$$$$
PF299804.cdx
csChFnd80/06182009382D

 33 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (49)
947

>  <Formula> (49)
C24H25ClFN5O2

>  <MolWeight> (49)
469.9390032

>  <Cat> (49)
S2727

>  <Name> (49)
Dacomitinib (PF299804, PF-00299804)

>  <Synonyms> (49)
N/A

>  <Target> (49)
EGFR

>  <Form> (49)
Free Base

>  <CAS> (49)
1110813-31-4

>  <URL> (49)
http://www.selleckchem.com/products/pf299804.html

$$$$
Linagliptin.cdx
csChFnd80/06182009382D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (50)
950

>  <Formula> (50)
C25H28N8O2

>  <MolWeight> (50)
472.54222

>  <Cat> (50)
S3031

>  <Name> (50)
Linagliptin (BI-1356)

>  <Synonyms> (50)
N/A 

>  <Target> (50)
DPP-4

>  <Form> (50)
Free Base

>  <CAS> (50)
668270-12-0

>  <URL> (50)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

$$$$
Captopril.cdx
csChFnd80/06182009382D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (51)
1013

>  <Formula> (51)
C9H15NO3S

>  <MolWeight> (51)
217.2853

>  <Cat> (51)
S2051

>  <Name> (51)
Captopril (Capoten)

>  <Synonyms> (51)
N/A 

>  <Target> (51)
RAAS

>  <Form> (51)
Free Base

>  <CAS> (51)
62571-86-2

>  <URL> (51)
http://www.selleckchem.com/products/captopril-capoten.html

$$$$
carfilzomib(PR-171).cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (52)
1073

>  <Formula> (52)
C40H57N5O7

>  <MolWeight> (52)
719.90988

>  <Cat> (52)
S2853

>  <Name> (52)
Carfilzomib (PR-171)

>  <Synonyms> (52)
N/A 

>  <Target> (52)
Proteasome

>  <Form> (52)
Free Base

>  <CAS> (52)
868540-17-4

>  <URL> (52)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/06182009382D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (53)
1111

>  <Formula> (53)
C22H19ClO3

>  <MolWeight> (53)
366.83746

>  <Cat> (53)
S3079

>  <Name> (53)
Atovaquone (Atavaquone)

>  <Synonyms> (53)
N/A

>  <Target> (53)
Antifection

>  <Form> (53)
Free Base

>  <CAS> (53)
95233-18-4

>  <URL> (53)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

$$$$
Triptolide.cdx
csChFnd80/06182009382D

 27 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (54)
1125

>  <Formula> (54)
C20H24O6

>  <MolWeight> (54)
360.40096

>  <Cat> (54)
S3604

>  <Name> (54)
Triptolide

>  <Synonyms> (54)
N/A

>  <Target> (54)
NF-¦ÊB

>  <Form> (54)
Free Base

>  <CAS> (54)
38748-32-2

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

$$$$
Pirfenidone.cdx
csChFnd80/06182009382D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1980    2.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8987    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1159    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1980    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> (55)
1127

>  <Formula> (55)
C12H11NO

>  <MolWeight> (55)
185.22184

>  <Cat> (55)
S2907

>  <Name> (55)
Pirfenidone

>  <Synonyms> (55)
N/A

>  <Target> (55)
TGF-beta/Smad

>  <Form> (55)
Free Base

>  <CAS> (55)
53179-13-8

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

$$$$
Argatroban.cdx
csChFnd80/06182009382D

 36 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (56)
1201

>  <Formula> (56)
C23H36N6O5S

>  <MolWeight> (56)
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>  <Name> (56)
Argatroban

>  <Synonyms> (56)
N/A

>  <Target> (56)
Thrombin

>  <Form> (56)
Free Base

>  <CAS> (56)
74863-84-6

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

$$$$
Pazopanib.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (57)
1234

>  <Formula> (57)
C21H23N7O2S

>  <MolWeight> (57)
437.51802

>  <Cat> (57)
S3012

>  <Name> (57)
Pazopanib

>  <Synonyms> (57)
N/A

>  <Target> (57)
VEGFR

>  <Form> (57)
Free Base

>  <CAS> (57)
444731-52-6

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

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (58)
1238

>  <Formula> (58)
C25H35N3O6S

>  <MolWeight> (58)
505.6269

>  <Cat> (58)
S1639

>  <Name> (58)
Amprenavir (Agenerase)

>  <Synonyms> (58)
Agenerase

>  <Target> (58)
HIV Protease

>  <Form> (58)
Free Base

>  <CAS> (58)
161814-49-9

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

$$$$
PF-06405761.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (59)
1265

>  <Formula> (59)
C16H17N3O4S

>  <MolWeight> (59)
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>  <Cat> (59)
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PFI-1(PF-6405761) 

>  <Synonyms> (59)
PF-06405761

>  <Target> (59)
Epigenetic Reader Domain

>  <Form> (59)
Free Base

>  <CAS> (59)
1403764-72-6

>  <URL> (59)
http://www.selleckchem.com/products/pfl-1.html

$$$$
Pirarubicin.cdx
csChFnd80/06182009382D

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 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (60)
1317

>  <Formula> (60)
C32H37NO12

>  <MolWeight> (60)
627.63568

>  <Cat> (60)
S1393

>  <Name> (60)
Pirarubicin

>  <Synonyms> (60)
N/A

>  <Target> (60)
Topoisomerase

>  <Form> (60)
Free Base

>  <CAS> (60)
72496-41-4

>  <URL> (60)
http://www.selleckchem.com/products/Pirarubicin.html

$$$$
Clofazimine.cdx
csChFnd80/06182009382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (61)
1356

>  <Formula> (61)
C27H22Cl2N4

>  <MolWeight> (61)
473.39638

>  <Cat> (61)
S4107

>  <Name> (61)
Clofazimine

>  <Synonyms> (61)
N/A

>  <Target> (61)
Phospholipase (e.g. PLA)

>  <Form> (61)
Free Base

>  <CAS> (61)
2030-63-9

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

$$$$
Diminazene aceturate.cdx
csChFnd80/06182009382D

 37 36  0  0  0  0  0  0  0  0999 V2000
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   12.0706    7.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8582    5.7488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4955    7.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7079    7.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (62)
1403

>  <Formula> (62)
C22H29N9O6

>  <MolWeight> (62)
515.52236

>  <Cat> (62)
S4104

>  <Name> (62)
Diminazene Aceturate

>  <Synonyms> (62)
N/A

>  <Target> (62)
Others

>  <Form> (62)
Aceturate

>  <CAS> (62)
908-54-3

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

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/06182009382D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (63)
1487

>  <Formula> (63)
C22H29FN3O9P

>  <MolWeight> (63)
529.4525242

>  <Cat> (63)
S2794

>  <Name> (63)
Sofosbuvir(PSI-7977)

>  <Synonyms> (63)
N/A

>  <Target> (63)
DNA/RNA Synthesis

>  <Form> (63)
Free Base

>  <CAS> (63)
1190307-88-0

>  <URL> (63)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (64)
1495

>  <Formula> (64)
C36H53N7O6

>  <MolWeight> (64)
679.84932

>  <Cat> (64)
S1538

>  <Name> (64)
Telaprevir (VX-950)

>  <Synonyms> (64)
LY-570310, MP-424

>  <Target> (64)
HCV Protease

>  <Form> (64)
Free Base

>  <CAS> (64)
402957-28-2

>  <URL> (64)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

$$$$
Vinorelbine tartrate.cdx
csChFnd80/06182009382D

 79 85  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
1499

>  <Formula> (65)
C53H66N4O20

>  <MolWeight> (65)
1079.10594

>  <Cat> (65)
S4269

>  <Name> (65)
Vinorelbine Tartrate

>  <Synonyms> (65)
N/A

>  <Target> (65)
Microtubule Associated

>  <Form> (65)
Tartrate

>  <CAS> (65)
125317-39-7

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

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/06182009382D

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>  <Mol_ID> (66)
1535

>  <Formula> (66)
C44H69NO12

>  <MolWeight> (66)
804.01816

>  <Cat> (66)
S5003

>  <Name> (66)
Tacrolimus (FK506)

>  <Synonyms> (66)
FR900506

>  <Target> (66)
mTOR

>  <Form> (66)
Free Base

>  <CAS> (66)
104987-11-3

>  <URL> (66)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

$$$$
Temsirolimus.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (67)
1538

>  <Formula> (67)
C56H87NO16

>  <MolWeight> (67)
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>  <Cat> (67)
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>  <Name> (67)
Temsirolimus (CCI-779, NSC 683864)

>  <Synonyms> (67)
N/A

>  <Target> (67)
mTOR

>  <Form> (67)
Free Base

>  <CAS> (67)
162635-04-3

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

$$$$
PF-2341066.cdx
csChFnd80/06182009382D

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 14 18  1  0  0  0  0
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M  END
>  <Mol_ID> (68)
1550

>  <Formula> (68)
C21H22Cl2FN5O

>  <MolWeight> (68)
450.3366832

>  <Cat> (68)
S1068

>  <Name> (68)
Crizotinib (PF-02341066)

>  <Synonyms> (68)
N/A 

>  <Target> (68)
c-Met, ALK

>  <Form> (68)
Free Base

>  <CAS> (68)
877399-52-5, 877399-53-6 (acetate)

>  <URL> (68)
http://www.selleckchem.com/products/PF-2341066.html

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/06182009382D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.4247    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (69)
1593

>  <Formula> (69)
CH7ClN4

>  <MolWeight> (69)
110.54608

>  <Cat> (69)
S4548

>  <Name> (69)
Aminoguanidine (hydrochloride)

>  <Synonyms> (69)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (69)
Others

>  <Form> (69)
hydrochloride

>  <CAS> (69)
1937-19-5

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

$$$$
S4625 Alcaftadine.cdx
csChFnd80/06182009382D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3905    6.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9377    6.2474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0110    8.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2438    7.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.9370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  5  1  0  0  0  0
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 19  7  1  0  0  0  0
 14  8  1  0  0  0  0
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 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (70)
1632

>  <Formula> (70)
C19H21N3O

>  <MolWeight> (70)
307.38954

>  <Cat> (70)
S4625

>  <Name> (70)
Alcaftadine

>  <Synonyms> (70)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (70)
Histamine Receptor

>  <Form> (70)
Free Base

>  <CAS> (70)
147084-10-4

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

$$$$
Atazanavir.cdx
csChFnd80/06182009382D

 51 53  0  0  0  0  0  0  0  0999 V2000
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   13.3452    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5577    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6198    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (71)
1695

>  <Formula> (71)
C38H52N6O7

>  <MolWeight> (71)
704.85548

>  <Cat> (71)
S4662

>  <Name> (71)
Atazanavir

>  <Synonyms> (71)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (71)
HIV Protease

>  <Form> (71)
Free Base

>  <CAS> (71)
198904-31-3

>  <URL> (71)
http://www.selleckchem.com/products/atazanavir-reyataz.html

$$$$
AT-406.cdx
csChFnd80/06182009382D

 41 44  0  0  0  0  0  0  0  0999 V2000
   12.1603    7.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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1071992-99-8, 1071992-57-8 (HCl)

>  <URL> (72)
http://www.selleckchem.com/products/at-406.html

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MK4827.cdx
csChFnd80/06182009382D

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1038915-60-4

>  <URL> (73)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4747 Jervine.cdx
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>  <Formula> (74)
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Jervine

>  <Synonyms> (74)
11-Ketocyclopamine

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>  <Form> (74)
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>  <CAS> (74)
469-59-0

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

$$$$
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M  END
>  <Mol_ID> (75)
1805

>  <Formula> (75)
C38H50N6O9S

>  <MolWeight> (75)
766.9034

>  <Cat> (75)
S3728

>  <Name> (75)
Grazoprevir

>  <Synonyms> (75)
MK5172

>  <Target> (75)
Hepatitis C Virus NS3/4A Protease

>  <Form> (75)
free base

>  <CAS> (75)
1350514-68-9

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

$$$$
S3714 Lifitegrast.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (76)
1833

>  <Formula> (76)
C29H24Cl2N2O7S

>  <MolWeight> (76)
615.48106

>  <Cat> (76)
S3714

>  <Name> (76)
Lifitegrast

>  <Synonyms> (76)
SAR1118

>  <Target> (76)
Integrin

>  <Form> (76)
free base

>  <CAS> (76)
1025967-78-5

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

$$$$
S3685 4-Biphenylacetic acid.cdx
csChFnd80/06182009382D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (77)
1852

>  <Formula> (77)
C14H12O2

>  <MolWeight> (77)
212.24388

>  <Cat> (77)
S3685

>  <Name> (77)
4-Biphenylacetic acid

>  <Synonyms> (77)
BPA

>  <Target> (77)
Immunology & Inflammation related

>  <Form> (77)
free base

>  <CAS> (77)
5728-52-9

>  <URL> (77)
http://www.selleckchem.com/products/4-biphenylacetic-acid.html

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/06182009382D

 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (78)
1854

>  <Formula> (78)
C27H45N5O5

>  <MolWeight> (78)
519.6767

>  <Cat> (78)
S3733

>  <Name> (78)
Boceprevir

>  <Synonyms> (78)
N/A

>  <Target> (78)
hepatitis C virus (HCV) protease

>  <Form> (78)
free base

>  <CAS> (78)
394730-60-0

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

$$$$
10058-F4.cdx
csChFnd80/06182009382D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (79)
2025

>  <Formula> (79)
C12H11NOS2

>  <MolWeight> (79)
249.35184

>  <Cat> (79)
S7153

>  <Name> (79)
10058-F4

>  <Synonyms> (79)
N/A

>  <Target> (79)
c-Myc

>  <Form> (79)
Free Base

>  <CAS> (79)
403811-55-2

>  <URL> (79)
https://www.selleckchem.com/products/10058-f4.html

$$$$
LDK378.cdx
csChFnd80/06182009382D

 38 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (80)
2035

>  <Formula> (80)
C28H36ClN5O3S

>  <MolWeight> (80)
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>  <Cat> (80)
S7083

>  <Name> (80)
Ceritinib (LDK378)

>  <Synonyms> (80)
N/A

>  <Target> (80)
ALK

>  <Form> (80)
Free Base

>  <CAS> (80)
1032900-25-6

>  <URL> (80)
http://www.selleckchem.com/products/ldk378.html

$$$$
S4935 Asunaprevir.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (81)
2169

>  <Formula> (81)
C35H46ClN5O9S

>  <MolWeight> (81)
748.28584

>  <Cat> (81)
S4935

>  <Name> (81)
Asunaprevir

>  <Synonyms> (81)
BMS-650032

>  <Target> (81)
hepatitis C virus enzyme serine protease NS

>  <Form> (81)
free base

>  <CAS> (81)
630420-16-5

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

$$$$
S5015 Simeprevir.cdx
csChFnd80/06182009382D

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>  <Formula> (82)
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>  <Target> (82)
HCV NS3/4A protease

>  <Form> (82)
free base

>  <CAS> (82)
923604-59-5

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

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untitled.cdx
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>  <Formula> (83)
C22H24BrFN4O2

>  <MolWeight> (83)
475.3539632

>  <Cat> (83)
S1046

>  <Name> (83)
Vandetanib (ZD6474)

>  <Synonyms> (83)
N/A

>  <Target> (83)
VEGFR

>  <Form> (83)
Free Base

>  <CAS> (83)
443913-73-3

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

$$$$
Plerixafor.cdx
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>  <Mol_ID> (84)
2339

>  <Formula> (84)
C28H54N8

>  <MolWeight> (84)
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>  <Cat> (84)
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>  <Name> (84)
Plerixafor

>  <Synonyms> (84)
N/A

>  <Target> (84)
CXCR

>  <Form> (84)
Free Base

>  <CAS> (84)
110078-46-1

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

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>  <MolWeight> (85)
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>  <Cat> (85)
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>  <Name> (85)
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>  <Synonyms> (85)
N/A

>  <Target> (85)
PI3K

>  <Form> (85)
Free Base

>  <CAS> (85)
1201438-56-3

>  <URL> (85)
http://www.selleckchem.com/products/ipi-145-ink1197.html

$$$$
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1257044-40-8

>  <URL> (86)
http://www.selleckchem.com/products/abt-199.html

$$$$
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>  <Mol_ID> (87)
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>  <Name> (87)
Birinapant (TL32711)

>  <Synonyms> (87)
N/A

>  <Target> (87)
Caspase

>  <Form> (87)
Free Base

>  <CAS> (87)
1260251-31-7

>  <URL> (87)
http://www.selleckchem.com/products/birinapant-tl32711.html

$$$$
(+)-JQ1.cdx
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>  <Mol_ID> (88)
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>  <Cat> (88)
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>  <Form> (88)
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>  <CAS> (88)
1268524-70-4

>  <URL> (88)
http://www.selleckchem.com/products/jq1.html

$$$$
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M  END
>  <Mol_ID> (89)
2374

>  <Formula> (89)
C17H26O4

>  <MolWeight> (89)
294.38594

>  <Cat> (89)
S7025

>  <Name> (89)
Embelin

>  <Synonyms> (89)
Embelic Acid

>  <Target> (89)
IAP

>  <Form> (89)
Free Base

>  <CAS> (89)
550-24-3

>  <URL> (89)
https://www.selleckchem.com/products/embelin.html

$$$$
GDC-0152.cdx
csChFnd80/06182009382D

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 31 35  1  1  0  0  0
M  END
>  <Mol_ID> (90)
2490

>  <Formula> (90)
C25H34N6O3S

>  <MolWeight> (90)
498.64086

>  <Cat> (90)
S7010

>  <Name> (90)
GDC-0152

>  <Synonyms> (90)
N/A

>  <Target> (90)
IAP

>  <Form> (90)
Free Base

>  <CAS> (90)
873652-48-3

>  <URL> (90)
http://www.selleckchem.com/products/gdc-0152.html

$$$$
PD-L1 inhibitor 2.cdx
csChFnd80/06182009382D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
2539

>  <Formula> (91)
C25H29N3O3

>  <MolWeight> (91)
419.51606

>  <Cat> (91)
S7912

>  <Name> (91)
BMS202 (PD-1/PD-L1 inhibitor 2)

>  <Synonyms> (91)
N/A

>  <Target> (91)
PD-1/PD-L1

>  <Form> (91)
Free Base

>  <CAS> (91)
1675203-84-5

>  <URL> (91)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-2.html

$$$$
MCB-613.cdx
csChFnd80/06182009382D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (92)
2543

>  <Formula> (92)
C20H20N2O

>  <MolWeight> (92)
304.3856

>  <Cat> (92)
S7913

>  <Name> (92)
MCB-613

>  <Synonyms> (92)
N/A

>  <Target> (92)
Others

>  <Form> (92)
Free Base

>  <CAS> (92)
1162656-22-5

>  <URL> (92)
http://www.selleckchem.com/products/mcb-613.html

$$$$
14028-44-5.cdx
csChFnd80/06182009382D

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GlyT

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Free Base

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14028-44-5

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

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MMP

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2044451

>  <URL> (94)
http://www.selleckchem.com/products/nsc-405020.html

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2621

>  <Formula> (95)
C17H15BrF2N4O3

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S7007

>  <Name> (95)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Synonyms> (95)
N/A

>  <Target> (95)
MEK

>  <Form> (95)
Free Base

>  <CAS> (95)
606143-89-9

>  <URL> (95)
http://www.selleckchem.com/products/mek162.html

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csChFnd80/06182009382D

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I-BET-762

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GSK525762, GSK525762A

>  <Target> (96)
Epigenetic Reader Domain

>  <Form> (96)
Free Base

>  <CAS> (96)
1260907-17-2

>  <URL> (96)
http://www.selleckchem.com/products/i-bet-762.html

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terfenadine.cdx
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terfenadine

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50679-08-8

>  <URL> (97)
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EGFR

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1421373-65-0

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http://www.selleckchem.com/products/azd9291.html

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313553-47-8

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Microtubule Associated

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Free Base

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1001753-24-7

>  <URL> (108)
http://www.selleckchem.com/products/inh6.html

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1446144-04-2

>  <URL> (109)
http://www.selleckchem.com/products/cpi-203.html

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M  END
>  <Mol_ID> (110)
2877

>  <Formula> (110)
C40H37N5O

>  <MolWeight> (110)
603.75468

>  <Cat> (110)
S7224

>  <Name> (110)
Deltarasin

>  <Synonyms> (110)
N/A

>  <Target> (110)
PDE

>  <Form> (110)
Free Base

>  <CAS> (110)
1440898-61-2

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

$$$$
LCL161.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (111)
2899

>  <Formula> (111)
C26H33FN4O3S

>  <MolWeight> (111)
500.6286232

>  <Cat> (111)
S7009

>  <Name> (111)
LCL161

>  <Synonyms> (111)
N/A

>  <Target> (111)
IAP

>  <Form> (111)
Free Base

>  <CAS> (111)
1005342-46-0

>  <URL> (111)
http://www.selleckchem.com/products/lcl161.html

$$$$
MI-3.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (112)
2913

>  <Formula> (112)
C18H25N5S2

>  <MolWeight> (112)
375.5546

>  <Cat> (112)
S7619

>  <Name> (112)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (112)
N/A

>  <Target> (112)
Histone Methyltransferase

>  <Form> (112)
Free Base

>  <CAS> (112)
1271738-59-0

>  <URL> (112)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Heparin sodium.cdx
csChFnd80/06182009382D

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A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (113)
2920

>  <Formula> (113)
C33H47N3O39R4S6-8

>  <MolWeight> (113)
1302.11298

>  <Cat> (113)
S1346

>  <Name> (113)
Heparin sodium

>  <Synonyms> (113)
N/A

>  <Target> (113)
Others

>  <Form> (113)
Sodium salt

>  <CAS> (113)
2608411

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

$$$$
Nutlin-3b.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (114)
2929

>  <Formula> (114)
C30H30Cl2N4O4

>  <MolWeight> (114)
581.4896

>  <Cat> (114)
S8065

>  <Name> (114)
Nutlin-3b

>  <Synonyms> (114)
(+)-Nutlin-3

>  <Target> (114)
Mdm2

>  <Form> (114)
Free Base

>  <CAS> (114)
675576-97-3

>  <URL> (114)
http://www.selleckchem.com/products/nutlin-3b.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/06182009382D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (115)
2938

>  <Formula> (115)
C18H25N5S2

>  <MolWeight> (115)
375.5546

>  <Cat> (115)
S7618

>  <Name> (115)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (115)
N/A

>  <Target> (115)
Histone Methyltransferase

>  <Form> (115)
Free Base

>  <CAS> (115)
1271738-62-5

>  <URL> (115)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/06182009382D

 65 74  0  0  0  0  0  0  0  0999 V2000
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HCV Protease

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1256388-51-8

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http://www.selleckchem.com/products/ledipasvir-gs5885.html

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GSK1324726A (I-BET726)

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N/A

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Epigenetic Reader Domain

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1300031-52-0

>  <URL> (117)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

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TAI-1

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Microtubule Associated

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1334921-03-7

>  <URL> (118)
http://www.selleckchem.com/products/tai-1.html

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1395084-25-9

>  <URL> (119)
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>  <Formula> (120)
C22H23N3O4

>  <MolWeight> (120)
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>  <Name> (120)
Erlotinib

>  <Synonyms> (120)
CP358774, NSC 718781

>  <Target> (120)
EGFR

>  <Form> (120)
Free Base

>  <CAS> (120)
183321-74-6

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

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/06182009382D

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C21H21F3IN3O2

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>  <Name> (121)
Cobimetinib (GDC-0973, RG7420)

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XL518

>  <Target> (121)
MEK

>  <Form> (121)
Free Base

>  <CAS> (121)
934660-93-2

>  <URL> (121)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

$$$$
BVD-523.cdx
csChFnd80/06182009382D

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>  <Formula> (122)
C21H22Cl2N4O2

>  <MolWeight> (122)
433.33098

>  <Cat> (122)
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>  <Name> (122)
Ulixertinib (BVD-523, VRT752271)

>  <Synonyms> (122)
N/A

>  <Target> (122)
ERK

>  <Form> (122)
Free Base

>  <CAS> (122)
869886-67-9

>  <URL> (122)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

$$$$
RG7112 (RO5045337).cdx
csChFnd80/06182009382D

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>  <Mol_ID> (123)
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>  <Formula> (123)
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>  <Cat> (123)
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>  <Name> (123)
RG7112 (RO5045337)

>  <Synonyms> (123)
RO5045337

>  <Target> (123)
Mdm2

>  <Form> (123)
Free Base

>  <CAS> (123)
939981-39-2

>  <URL> (123)
http://www.selleckchem.com/products/rg-7112.html

$$$$
Vorapaxar (SCH 530348).cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (124)
3087

>  <Formula> (124)
C29H33FN2O4

>  <MolWeight> (124)
492.5817232

>  <Cat> (124)
S8067

>  <Name> (124)
Vorapaxar (SCH 530348)

>  <Synonyms> (124)
SCH 530348, MK-5348

>  <Target> (124)
Protease-activated Receptor

>  <Form> (124)
Free Base

>  <CAS> (124)
618385-01-6

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

$$$$
PD-1PD-L1 inhibitor 1.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (125)
3139

>  <Formula> (125)
C29H33NO5

>  <MolWeight> (125)
475.57602

>  <Cat> (125)
S7911

>  <Name> (125)
PD-1/PD-L1 inhibitor 1

>  <Synonyms> (125)
N/A

>  <Target> (125)
PD-1/PD-L1

>  <Form> (125)
Free Base

>  <CAS> (125)
1675201-83-8

>  <URL> (125)
http://www.selleckchem.com/products/pd-1-pd-l1-inhibitor-1.html

$$$$
BI-78D3.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (126)
3191

>  <Formula> (126)
C13H9N5O5S2

>  <MolWeight> (126)
379.37106

>  <Cat> (126)
S8201

>  <Name> (126)
BI-78D3

>  <Synonyms> (126)
N/A

>  <Target> (126)
JNK

>  <Form> (126)
Free Base

>  <CAS> (126)
883065-90-5

>  <URL> (126)
http://www.selleckchem.com/products/bi-78d3.html

$$$$
Kobe0065.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (127)
3222

>  <Formula> (127)
C15H11ClF3N5O4S

>  <MolWeight> (127)
449.7921496

>  <Cat> (127)
S8303

>  <Name> (127)
Kobe0065

>  <Synonyms> (127)
N/A

>  <Target> (127)
Rho

>  <Form> (127)
Free Base

>  <CAS> (127)
436133-68-5

>  <URL> (127)
http://www.selleckchem.com/products/kobe0065.html

$$$$
IQ-1.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (128)
3228

>  <Formula> (128)
C21H22N4O2

>  <MolWeight> (128)
362.42498

>  <Cat> (128)
S8248

>  <Name> (128)
IQ-1

>  <Synonyms> (128)
N/A

>  <Target> (128)
Wnt/beta-catenin

>  <Form> (128)
Free Base

>  <CAS> (128)
331001-62-8

>  <URL> (128)
http://www.selleckchem.com/products/iq-1.html

$$$$

csChFnd80/06182009382D

  1  0  0  0  0  0  0  0  0  0999 V2000
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A    1
No structure
M  END
>  <Mol_ID> (129)
3255

>  <Formula> (129)
R

>  <Cat> (129)
S7377

>  <Name> (129)
Aprotinin

>  <Synonyms> (129)
N/A

>  <Target> (129)
Serine Protease

>  <CAS> (129)
9087-70-1

>  <URL> (129)
http://www.selleckchem.com/products/aprotinin.html

$$$$
NSC228155.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (130)
3285

>  <Formula> (130)
C11H6N4O4S

>  <MolWeight> (130)
290.25474

>  <Cat> (130)
S8312

>  <Name> (130)
NSC228155

>  <Synonyms> (130)
N/A

>  <Target> (130)
EGFR

>  <Form> (130)
Free Base

>  <CAS> (130)
113104-25-9

>  <URL> (130)
http://www.selleckchem.com/products/nsc228155.html

$$$$
Alantolactone.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (131)
3303

>  <Formula> (131)
C15H20O2

>  <MolWeight> (131)
232.3181

>  <Cat> (131)
S8318

>  <Name> (131)
Alantolactone

>  <Synonyms> (131)
helenin, helenine, Eupatal

>  <Target> (131)
Others

>  <Form> (131)
Free Base

>  <CAS> (131)
546-43-0

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

$$$$
SKL2001.cdx
csChFnd80/06182009382D

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M  END
>  <Mol_ID> (132)
3305

>  <Formula> (132)
C14H14N4O3

>  <MolWeight> (132)
286.28596

>  <Cat> (132)
S8320

>  <Name> (132)
SKL2001

>  <Synonyms> (132)
N/A

>  <Target> (132)
Wnt/beta-catenin

>  <Form> (132)
Free Base

>  <CAS> (132)
909089-13-0

>  <URL> (132)
http://www.selleckchem.com/products/skl2001.html

$$$$
OICR-9429.cdx
csChFnd80/06182009382D

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>  <Target> (133)
Histone Methyltransferase

>  <Form> (133)
Free Base

>  <CAS> (133)
1801787-56-3

>  <URL> (133)
http://www.selleckchem.com/products/oicr-9429.html

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untitled.cdx
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>  <Formula> (134)
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>  <Name> (134)
NVP-CGM097

>  <Synonyms> (134)
CGM-097, CGM 097, CGM 097, NVP CGM097

>  <Target> (134)
E3 Ligase

>  <Form> (134)
Free Base

>  <CAS> (134)
1313363-54-0

>  <URL> (134)
http://www.selleckchem.com/products/nvp-cgm097.html

$$$$
UNC3866.cdx
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>  <Mol_ID> (135)
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>  <Formula> (135)
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>  <MolWeight> (135)
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UNC3866

>  <Synonyms> (135)
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>  <Target> (135)
Histone Methyltransferase

>  <Form> (135)
Free Base

>  <CAS> (135)
1872382-47-2

>  <URL> (135)
http://www.selleckchem.com/products/unc3866.html

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http://www.selleckchem.com/products/bp-1-102.html

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http://www.selleckchem.com/products/pnu-74654.html

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2083627-02-3

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http://www.selleckchem.com/products/eed226.html

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free base

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866028-26-4

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http://www.selleckchem.com/products/inf39.html

$$$$
Marinopyrrole A (Maritoclax).cdx
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free base

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1227962-62-0

>  <URL> (143)
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$$$$
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   14.3674    2.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3674    0.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16  3  1  0  0  0  0
 22  4  1  0  0  0  0
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 23  5  1  0  0  0  0
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 17  7  1  0  0  0  0
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 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
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 15 10  1  0  0  0  0
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 13 19  2  0  0  0  0
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 27 22  2  0  0  0  0
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 30 33  2  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (145)
3510

>  <Formula> (145)
C28H37N3O3

>  <MolWeight> (145)
463.61168

>  <Cat> (145)
S3721

>  <Name> (145)
Bilastine

>  <Synonyms> (145)
N/A

>  <Target> (145)
H1 receptor

>  <Form> (145)
free base

>  <CAS> (145)
202189-78-4

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

$$$$
SR-18292.cdx
csChFnd80/06182009382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2787    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    2.5326    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
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 12  1  0  0  0  0
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 26 27  2  0  0  0  0
 27 24  1  0  0  0  0
M  END
>  <Mol_ID> (146)
3646

>  <Formula> (146)
C23H30N2O2

>  <MolWeight> (146)
366.4965

>  <Cat> (146)
S8528

>  <Name> (146)
SR-18292

>  <Synonyms> (146)
N/A

>  <Target> (146)
Others

>  <Form> (146)
free base

>  <CAS> (146)
2095432-55-4

>  <URL> (146)
http://selleckchem.com/products/sr-18292.html

$$$$
S5246 Entecavir.cdx
csChFnd80/06182009382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.9772    5.3491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6386    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4252    4.0227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6272    7.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    5.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7637    3.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6151    2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515    7.6142    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
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  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
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  5 10  1  0  0  0  0
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 10 15  1  0  0  0  0
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 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
>  <Mol_ID> (147)
3781

>  <Formula> (147)
C12H15N5O3

>  <MolWeight> (147)
277.2792

>  <Cat> (147)
S5246

>  <Name> (147)
Entecavir

>  <Synonyms> (147)
N/A

>  <Target> (147)
Reverse Transcriptase

>  <Form> (147)
free base

>  <CAS> (147)
142217-69-4

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

$$$$
S5250 Darunavir.cdx
csChFnd80/06182009382D

 40 43  0  0  0  0  0  0  0  0999 V2000
    4.8415    5.9368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4603    2.3334    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2667    5.9366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3780    1.2620    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1166    1.7358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4782    2.4352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6291    5.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4782    3.8364    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9031    2.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5499    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 14  1  2  0  0  0  0
 15  1  2  0  0  0  0
  5  2  1  0  0  0  0
 16  2  1  0  0  0  0
  3  8  1  0  0  0  0
 13  3  1  0  0  0  0
 19  3  2  0  0  0  0
  4  7  1  0  0  0  0
  6  4  1  0  0  0  0
 26  4  1  0  0  0  0
  4 39  1  1  0  0  0
 11  5  1  0  0  0  0
 18  6  1  0  0  0  0
  6 40  1  1  0  0  0
  6  9  1  0  0  0  0
  7 13  1  6  0  0  0
 17  7  1  0  0  0  0
 12  8  1  0  0  0  0
  9 17  1  0  0  0  0
 21 10  1  0  0  0  0
 22 10  2  0  0  0  0
 12 11  1  0  0  0  0
 11 24  1  6  0  0  0
 12 20  1  6  0  0  0
 31 16  1  0  0  0  0
 18 30  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  2  0  0  0  0
 29 22  1  0  0  0  0
 23 29  2  0  0  0  0
 25 23  1  0  0  0  0
 28 23  1  0  0  0  0
 30 26  1  0  0  0  0
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 34 31  1  0  0  0  0
 35 31  1  0  0  0  0
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 37 33  1  0  0  0  0
 36 38  1  0  0  0  0
 38 37  2  0  0  0  0
M  END
>  <Mol_ID> (148)
3782

>  <Formula> (148)
C27H37N3O7S

>  <MolWeight> (148)
547.66358

>  <Cat> (148)
S5250

>  <Name> (148)
Darunavir

>  <Synonyms> (148)
TMC114

>  <Target> (148)
HIV Protease

>  <Form> (148)
free base

>  <CAS> (148)
206361-99-1

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

$$$$
S5588 Creatine.cdx
csChFnd80/06182009382D

  9  8  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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    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
    6.0622    1.4000    0.0000 O   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
  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
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
M  END
>  <Mol_ID> (149)
4006

>  <Formula> (149)
C4H9N3O2

>  <MolWeight> (149)
131.13316

>  <Cat> (149)
S5588

>  <Name> (149)
Creatine

>  <Synonyms> (149)
Methylguanidoacetic acid

>  <Target> (149)
Others

>  <Form> (149)
free base

>  <CAS> (149)
57-00-1

>  <URL> (149)
http://selleckchem.com/products/creatine.html

$$$$
S5594 ¦Á-Terpineol.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (150)
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C10H18O

>  <MolWeight> (150)
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¦Á-Terpineol

>  <Synonyms> (150)
N/A

>  <Target> (150)
Others

>  <Form> (150)
free base

>  <CAS> (150)
10482-56-1

>  <URL> (150)
http://selleckchem.com/products/alpha-terpineol.html

$$$$
S5388 Betrixaban.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (151)
4054

>  <Formula> (151)
C23H22ClN5O3

>  <MolWeight> (151)
451.90548

>  <Cat> (151)
S5388

>  <Name> (151)
Betrixaban

>  <Synonyms> (151)
PRT054021

>  <Target> (151)
factor Xa(fXa)

>  <Form> (151)
free base

>  <CAS> (151)
330942-05-7

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

$$$$
S9409 Kavain.cdx
csChFnd80/06182009382D

 17 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (152)
4158

>  <Formula> (152)
C14H14O3

>  <MolWeight> (152)
230.25916

>  <Cat> (152)
S9409

>  <Name> (152)
Kavain

>  <Form> (152)
free base

>  <CAS> (152)
500-64-1

$$$$

csChFnd80/06182009382D

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>  <Mol_ID> (153)
4259

>  <Formula> (153)
C17H13ClNO5P

>  <MolWeight> (153)
377.715581

>  <Cat> (153)
S8409

>  <Name> (153)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (153)
N/A

>  <Target> (153)
Epigenetic Reader Do

>  <Form> (153)
Free Base

>  <CAS> (153)
18228-17-6

>  <URL> (153)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/06182009382D

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>  <Mol_ID> (154)
4271

>  <Formula> (154)
C20H21N3O5S

>  <MolWeight> (154)
415.46284

>  <Cat> (154)
S8714

>  <Name> (154)
INCB057643

>  <Synonyms> (154)
N/A

>  <Target> (154)
Epigenetic Reader Do

>  <Form> (154)
Free Base

>  <CAS> (154)
1820889-23-3

>  <URL> (154)
http://www.selleckchem.com/products/incb057643.html

$$$$
S9015 Homoharringtonine.cdx
csChFnd80/06182009382D

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    6.0010    2.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1438    5.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3536    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9257    6.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8169    4.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2358    6.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8080    0.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4477    2.7038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7244    5.8983    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5328    3.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4477    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    1.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5236    7.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3807    5.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0344    6.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6497    8.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    6.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4824    9.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950    5.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5668    7.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807   10.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8505   11.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267   11.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8740    9.8453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7204    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
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  2  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 15  1  6  0  0  0
  7 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 22  2  0  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  1  1  0  0  0
 26 27  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  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
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 34 40  1  0  0  0  0
M  END
>  <Mol_ID> (155)
4297

>  <Formula> (155)
C29H39NO9

>  <MolWeight> (155)
545.62126

>  <Cat> (155)
S9015

>  <Name> (155)
Homoharringtonine

>  <CAS> (155)
26833-87-4

$$$$
S9020 Dihydrotanshinone I.cdx
csChFnd80/06182009382D

 21 24  0  0  0  0  0  0  0  0999 V2000
    7.2368    0.1720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3694    2.1338    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5157    0.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 O   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
    9.4098    3.0706    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  1  0  0  0  0
  1  5  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  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  7 18  2  0  0  0  0
  6 19  2  0  0  0  0
 13 20  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (156)
4299

>  <Formula> (156)
C18H14O3

>  <MolWeight> (156)
278.30196

>  <Cat> (156)
S9020

>  <Name> (156)
Dihydrotanshinone I

>  <Form> (156)
free base

>  <CAS> (156)
87205-99-0

$$$$
S9055 Salvianolic acid A.cdx
csChFnd80/06182009382D

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.6566    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    6.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7499    3.4964    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8856    3.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    3.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6566    4.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1218    4.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5405    4.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0815    5.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    1.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    6.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    5.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9639    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5973    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7181    7.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    2.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1756    3.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5032    5.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5383    1.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    2.0982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4600    3.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235    4.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    6.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5973    3.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5170    8.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523    7.6817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9631    1.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3795    4.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9393    5.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3842    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    7.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9387    8.3551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8089    1.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  8  1  2  0  0  0  0
 11  2  2  0  0  0  0
 14  3  2  0  0  0  0
 28  3  1  0  0  0  0
  5  4  1  6  0  0  0
 21  4  2  0  0  0  0
 29  4  1  0  0  0  0
  5 10  1  0  0  0  0
 15  5  1  0  0  0  0
  6  8  1  0  0  0  0
  9  6  2  0  0  0  0
  7  9  1  0  0  0  0
 10  7  1  0  0  0  0
 22  7  2  0  0  0  0
 23  8  1  0  0  0  0
 25 11  1  0  0  0  0
 12 18  1  0  0  0  0
 16 12  2  0  0  0  0
 32 12  1  0  0  0  0
 13 20  1  0  0  0  0
 31 13  1  0  0  0  0
 13 17  2  0  0  0  0
 24 14  1  0  0  0  0
 34 14  1  0  0  0  0
 19 15  1  0  0  0  0
 36 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 35 17  1  0  0  0  0
 18 19  2  0  0  0  0
 30 19  1  0  0  0  0
 20 25  2  0  0  0  0
 23 24  2  0  0  0  0
 33 25  1  0  0  0  0
 26 30  2  0  0  0  0
 27 33  2  0  0  0  0
M  END
>  <Mol_ID> (157)
4316

>  <Formula> (157)
C26H22O10

>  <MolWeight> (157)
494.44688

>  <Cat> (157)
S9055

>  <Name> (157)
Salvianolic acid A

>  <Form> (157)
free base

>  <CAS> (157)
96574-01-5

$$$$
S9315 Praeruptorin A.cdx
csChFnd80/06182009382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8789    2.8285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807    4.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6534    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    2.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    4.9160    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6683    4.9432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    2.8285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0765    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3067    4.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    6.3159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6683    6.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8789    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4418    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7744    5.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    7.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573    7.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8820    7.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    0.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    6.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2872    8.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4992    4.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7117    8.4157    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
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  2  0  0  0  0
  3  8  1  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  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
 16 22  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (158)
4525

>  <Formula> (158)
C21H22O7

>  <MolWeight> (158)
386.39518

>  <Cat> (158)
S9315

>  <Name> (158)
Praeruptorin A

>  <Form> (158)
free base

>  <CAS> (158)
73069-25-7

$$$$
S5605 Tos-Arg-OMe.HCl.cdx
csChFnd80/06182009382D

 24 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8002    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    4.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.5878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    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> (159)
4598

>  <Formula> (159)
C14H23ClN4O4S

>  <MolWeight> (159)
378.87482

>  <Cat> (159)
S5605

>  <Name> (159)
Tos-Arg-OMe.HCl

>  <Target> (159)
Others

>  <Form> (159)
free base

>  <CAS> (159)
1784-03-8

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

$$$$
S5067 Losartan.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (160)
4680

>  <Formula> (160)
C22H23ClN6O

>  <MolWeight> (160)
422.91062

>  <Cat> (160)
S5067

>  <Name> (160)
Losartan

>  <Target> (160)
Angiotensin Receptor

>  <Form> (160)
free base

>  <CAS> (160)
114798-26-4

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

$$$$
S5659 Emedastine.cdx
csChFnd80/06182009382D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (161)
4694

>  <Formula> (161)
C17H26N4O

>  <MolWeight> (161)
302.41454

>  <Cat> (161)
S5659

>  <Name> (161)
Emedastine

>  <Synonyms> (161)
N/A

>  <Target> (161)
Histamine Receptor

>  <Form> (161)
free base

>  <CAS> (161)
87233-61-2

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

$$$$
S5716 Abemaciclib.cdx
csChFnd80/06182009382D

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>  <Mol_ID> (162)
4701

>  <Formula> (162)
C27H32F2N8

>  <MolWeight> (162)
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>  <Cat> (162)
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>  <Name> (162)
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>  <Synonyms> (162)
LY2835219

>  <Target> (162)
CDK

>  <Form> (162)
free base

>  <CAS> (162)
1231929-97-7 

>  <URL> (162)
http://selleckchem.com/products/abemaciclib.html

$$$$

csChFnd80/06182009382D

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>  <Mol_ID> (163)
4790

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C38H46F4N6O9S

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S5720

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Glecaprevir

>  <Synonyms> (163)
N/A

>  <Target> (163)
HCV Protease

>  <Form> (163)
Free Base

>  <CAS> (163)
1365970-03-1

>  <URL> (163)
http://www.selleckchem.com/products/glecaprevir.html

$$$$

csChFnd80/06182009382D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (164)
4860

>  <Formula> (164)
C18H19F3N2O4S2

>  <MolWeight> (164)
448.4796696

>  <Cat> (164)
S5815

>  <Name> (164)
WAY-316606

>  <Synonyms> (164)
N/A

>  <Target> (164)
Wnt/beta-catenin

>  <Form> (164)
Free Base

>  <CAS> (164)
915759-45-4

>  <URL> (164)
http://www.selleckchem.com/products/way-316606.html

$$$$

csChFnd80/06182009382D

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>  <Mol_ID> (165)
4930

>  <Formula> (165)
C30H48O6

>  <MolWeight> (165)
504.69852

>  <Cat> (165)
S9502

>  <Name> (165)
Madecassic acid

>  <Synonyms> (165)
Brahmic acid

>  <Target> (165)
Immunology & Inflamm

>  <Form> (165)
Free Base

>  <CAS> (165)
2438-80-4

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

$$$$

csChFnd80/06182009382D

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1300031-49-5

>  <URL> (166)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

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5358

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C20H22N2S

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322.46708

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S6435

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Mequitazine

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LM-209

>  <Target> (167)
Histamine Receptor

>  <Form> (167)
Free Base

>  <CAS> (167)
29216-28-2

>  <URL> (167)
http://www.selleck.cn/products/mequitazine.html

$$$$

csChFnd80/06182009382D

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5387

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C16H22N4O

>  <MolWeight> (168)
286.37208

>  <Cat> (168)
S6469

>  <Name> (168)
Thonzylamine

>  <Synonyms> (168)
Neohetramine

>  <Target> (168)
Histamine Receptor

>  <Form> (168)
Free Base

>  <CAS> (168)
91-85-0

>  <URL> (168)
http://www.selleck.cn/products/thonzylamine.html

$$$$

csChFnd80/06182009382D

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5402

>  <Formula> (169)
C31H32BrNO4S2

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626.62408

>  <Cat> (169)
S7934

>  <Name> (169)
SR9243

>  <Synonyms> (169)
N/A

>  <Target> (169)
Liver X Receptor

>  <Form> (169)
Free Base

>  <CAS> (169)
1613028-81-1

>  <URL> (169)
http://www.selleck.cn/products/sr9243.html

$$$$

csChFnd80/06182009382D

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>  <Synonyms> (170)
N/A

>  <Target> (170)
ALK

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Free Base

>  <CAS> (170)
1197953-54-0

>  <URL> (170)
http://www.selleck.cn/products/brigatinib-ap26113.html

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csChFnd80/06182009382D

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2244904-70-7

>  <URL> (173)
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>  <URL> (174)
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M  END
>  <Mol_ID> (175)
6841

>  <Formula> (175)
C21H23ClFNO2

>  <MolWeight> (175)
375.8642232

>  <Cat> (175)
S6727

>  <Name> (175)
AX-024 HCl

>  <Synonyms> (175)
N/A

>  <Target> (175)
CDK

>  <Form> (175)
Hydrochloride

>  <CAS> (175)
1704801-24-0

>  <URL> (175)
http://www.selleck.cn/products/ax-024-hcl.html

$$$$

csChFnd80/06182009382D

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M  END
>  <Mol_ID> (176)
6863

>  <Formula> (176)
C24H20N2O3

>  <MolWeight> (176)
384.4272

>  <Cat> (176)
S6752

>  <Name> (176)
Y16

>  <Synonyms> (176)
N/A

>  <Target> (176)
Rho

>  <Form> (176)
Free Base

>  <CAS> (176)
429653-73-6

>  <URL> (176)
http://www.selleck.cn/products/y16.html

$$$$

csChFnd80/06182009382D

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>  <Mol_ID> (177)
6966

>  <Formula> (177)
C15H13N3O2S

>  <MolWeight> (177)
299.34762

>  <Cat> (177)
S2418

>  <Name> (177)
Frentizole

>  <Synonyms> (177)
Frentizol

>  <Target> (177)
Beta Amyloid

>  <Form> (177)
Free Base

>  <CAS> (177)
26130-02-9

>  <URL> (177)
http://www.selleck.cn/products/frentizole.html

$$$$
