untitled.cdx
csChFnd80/07171813172D

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Axitinib

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S1005

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AG 013736

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VEGFR, PDGFR, c-Kit

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Free Base

>  <URL> (1)
http://www.selleckchem.com/products/Axitinib.html

>  <CAS Number> (1)
319460-85-0

$$$$
Bosutinib (SKI-606).cdx
csChFnd80/07171813172D

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Bosutinib (SKI-606)

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S1014

>  <Synonyms> (2)
N/A 

>  <Target> (2)
Src

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
380843-75-4

$$$$
untitled.cdx
csChFnd80/07171813172D

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MEK 

>  <Form> (3)
Free Base

>  <URL> (3)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (3)
391210-10-9

$$$$
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csChFnd80/07171813172D

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956905-27-4

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MEK

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Free Base

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http://www.selleckchem.com/products/PD-98059.html

>  <CAS Number> (8)
167869-21-8

$$$$
Exemestane.cdx
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>  <Mol_ID> (9)
142

>  <Formula> (9)
C20H24O2

>  <MolWeight> (9)
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>  <Item Name> (9)
Exemestane

>  <Catalog Number> (9)
S1196

>  <Synonyms> (9)
Aromasin

>  <Target> (9)
Aromatase

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
107868-30-4

$$$$
Cladribine.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (10)
144

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Cladribine

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S1199

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Leustatin

>  <Target> (10)
DNA/RNA Synthesis

>  <Form> (10)
Free Base

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

>  <CAS Number> (10)
4291-63-8

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07171813172D

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>  <Mol_ID> (11)
149

>  <Formula> (11)
C27H30ClNO11

>  <MolWeight> (11)
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>  <Item Name> (11)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (11)
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>  <Synonyms> (11)
N/A 

>  <Target> (11)
Topoisomerase

>  <Form> (11)
Hydrochloride

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

>  <CAS Number> (11)
25316-40-9

$$$$
Letrozole.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (12)
169

>  <Formula> (12)
C17H11N5

>  <MolWeight> (12)
285.30274

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Letrozole

>  <Catalog Number> (12)
S1235

>  <Synonyms> (12)
Femara, Piroxicam 

>  <Target> (12)
Aromatase 

>  <Form> (12)
Free Base

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

>  <CAS Number> (12)
112809-51-5

$$$$
Celecoxib.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (13)
184

>  <Formula> (13)
C17H14F3N3O2S

>  <MolWeight> (13)
381.3721696

>  <Item Name> (13)
Celecoxib

>  <Catalog Number> (13)
S1261

>  <Synonyms> (13)
Celebrex, Celebra 

>  <Target> (13)
COX

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
169590-42-5

$$$$
PD173074.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (14)
186

>  <Formula> (14)
C28H41N7O3

>  <MolWeight> (14)
523.67024

>  <Item Name> (14)
PD173074

>  <Catalog Number> (14)
S1264

>  <Synonyms> (14)
N/A

>  <Target> (14)
FGFR, VEGFR

>  <Form> (14)
Free Base

>  <URL> (14)
http://www.selleckchem.com/products/PD-173074.html

>  <CAS Number> (14)
219580-11-7

$$$$
Asenapine maleate.cdx
csChFnd80/07171813172D

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M  END
>  <Mol_ID> (15)
194

>  <Formula> (15)
C21H20ClNO5

>  <MolWeight> (15)
401.8402

>  <Item Name> (15)
Asenapine maleate

>  <Catalog Number> (15)
S1283

>  <Synonyms> (15)
Saphris

>  <Target> (15)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (15)
Maleate

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

>  <CAS Number> (15)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/07171813172D

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 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (16)
195

>  <Formula> (16)
C24H29ClN2O5

>  <MolWeight> (16)
460.95046

>  <Item Name> (16)
Benazepril hydrochloride

>  <Catalog Number> (16)
S1284

>  <Synonyms> (16)
Lotensin

>  <Target> (16)
RAAS

>  <Form> (16)
Hydrochloride

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

>  <CAS Number> (16)
86541-74-4

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/07171813172D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 20  9  1  0  0  0  0
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 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (17)
201

>  <Formula> (17)
C21H27Cl3N2O3

>  <MolWeight> (17)
461.80968

>  <Item Name> (17)
Cetirizine Dihydrochloride

>  <Catalog Number> (17)
S1291

>  <Synonyms> (17)
Zyrtec, Reactine

>  <Target> (17)
Histamine Receptor

>  <Form> (17)
Dihydrochloride

>  <URL> (17)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (17)
83881-52-1

$$$$
Cilostazol.cdx
csChFnd80/07171813172D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
  2 11  2  0  0  0  0
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 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (18)
239

>  <Formula> (18)
C20H27N5O2

>  <MolWeight> (18)
369.46068

>  <Item Name> (18)
Cilostazol

>  <Catalog Number> (18)
S1294

>  <Synonyms> (18)
Pletal

>  <Target> (18)
PDE

>  <Form> (18)
Free Base

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

>  <CAS Number> (18)
73963-72-1

$$$$
Doxazosin mesylate.cdx
csChFnd80/07171813172D

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.8927    6.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (19)
255

>  <Formula> (19)
C24H29N5O8S

>  <MolWeight> (19)
547.58076

>  <Item Name> (19)
Doxazosin mesylate

>  <Catalog Number> (19)
S1324

>  <Synonyms> (19)
Cardura, Carduran 

>  <Target> (19)
Adrenergic Receptor

>  <Form> (19)
Mesylate

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

>  <CAS Number> (19)
77883-43-3

$$$$
Etodolac.cdx
csChFnd80/07171813172D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (20)
257

>  <Formula> (20)
C17H21NO3

>  <MolWeight> (20)
287.35354

>  <Item Name> (20)
Etodolac (Lodine)

>  <Catalog Number> (20)
S1328

>  <Synonyms> (20)
Lodine, Lodine XL

>  <Target> (20)
COX
COX

>  <Form> (20)
Free Base

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

>  <CAS Number> (20)
41340-25-4

$$$$
Fluconazole.cdx
csChFnd80/07171813172D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  1  9  1  0  0  0  0
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M  END
>  <Mol_ID> (21)
259

>  <Formula> (21)
C13H12F2N6O

>  <MolWeight> (21)
306.2707864

>  <Item Name> (21)
Fluconazole

>  <Catalog Number> (21)
S1331

>  <Synonyms> (21)
UK 49858

>  <Target> (21)
P450 (e.g. CYP17)

>  <Form> (21)
Free Base

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

>  <CAS Number> (21)
86386-73-4

$$$$
Gabapentin hcl.cdx
csChFnd80/07171813172D

 13 12  0  0  0  0  0  0  0  0999 V2000
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    2.5689    4.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.4150    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (22)
263

>  <Formula> (22)
C9H18ClNO2

>  <MolWeight> (22)
207.69772

>  <Item Name> (22)
Gabapentin Hydrochloride

>  <Catalog Number> (22)
S1338

>  <Synonyms> (22)
Gabarone, Neurontin

>  <Target> (22)
GABA Receptor

>  <Form> (22)
Hydrochloride

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

>  <CAS Number> (22)
60142-95-2

$$$$
Lansoprazole.cdx
csChFnd80/07171813172D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.7000    5.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0368    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  8  9  2  0  0  0  0
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  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (23)
272

>  <Formula> (23)
C16H14F3N3O2S

>  <MolWeight> (23)
369.3614696

>  <Item Name> (23)
Lansoprazole

>  <Catalog Number> (23)
S1354

>  <Synonyms> (23)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (23)
Proton Pump

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
103577-45-3

$$$$
Tigecycline.cdx
csChFnd80/07171813172D

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  7 32  2  0  0  0  0
 11 33  1  0  0  0  0
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M  END
>  <Mol_ID> (24)
307

>  <Formula> (24)
C29H39N5O8

>  <MolWeight> (24)
585.64866

>  <Item Name> (24)
Tigecycline

>  <Catalog Number> (24)
S1403

>  <Synonyms> (24)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (24)
Antifection

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
220620-09-7

$$$$
Linezolid.cdx
csChFnd80/07171813172D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (25)
311

>  <Formula> (25)
C16H20FN3O4

>  <MolWeight> (25)
337.3461032

>  <Item Name> (25)
Linezolid (Zyvox)

>  <Catalog Number> (25)
S1408

>  <Synonyms> (25)
Zyvoxid, Zyvoxam

>  <Target> (25)
Antifection

>  <Form> (25)
Free Base

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

>  <CAS Number> (25)
165800-03-3

$$$$
Varenicline tartrate.cdx
csChFnd80/07171813172D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9597    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7515    3.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9597    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    2.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5886    3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7968    2.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5886    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1859    3.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    4.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    4.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  6  0  0  0
  5  9  1  6  0  0  0
  6 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
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 22 12  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (26)
327

>  <Formula> (26)
C17H19N3O6

>  <MolWeight> (26)
361.34926

>  <Item Name> (26)
Varenicline tartrate

>  <Catalog Number> (26)
S1440

>  <Synonyms> (26)
Chantix, Champix

>  <Target> (26)
AChR

>  <Form> (26)
Tartrate

>  <URL> (26)
http://www.selleckchem.com/products/Varenicline-tartrate.html

>  <CAS Number> (26)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/07171813172D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.0115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4322    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4322    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2358    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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (27)
328

>  <Formula> (27)
C17H28ClNO2

>  <MolWeight> (27)
313.86272

>  <Item Name> (27)
Venlafaxine HCl

>  <Catalog Number> (27)
S1441

>  <Synonyms> (27)
Effexor, Efexor 

>  <Target> (27)
5-HT Receptor

>  <Form> (27)
Hydrochloride

>  <URL> (27)
http://www.selleckchem.com/products/Venlafaxine-hydrochloride.html

>  <CAS Number> (27)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/07171813172D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0024    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  6  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (28)
329

>  <Formula> (28)
C16H14F3N5O

>  <MolWeight> (28)
349.3104696

>  <Item Name> (28)
Voriconazole

>  <Catalog Number> (28)
S1442

>  <Synonyms> (28)
Vfend

>  <Target> (28)
P450

>  <Form> (28)
Free Base

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

>  <CAS Number> (28)
137234-62-9

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/07171813172D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8901    3.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2934    4.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0023    5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    5.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  2  0  0  0  0
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 23 18  2  0  0  0  0
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 26 22  1  0  0  0  0
 19 27  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (29)
331

>  <Formula> (29)
C21H22Cl2N4OS

>  <MolWeight> (29)
449.39658

>  <Item Name> (29)
Ziprasidone hydrochloride

>  <Catalog Number> (29)
S1444

>  <Synonyms> (29)
Geodon, Zeldox

>  <Target> (29)
5-HT Receptor,Dopamine Receptor

>  <Form> (29)
Hydrochloride

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

>  <CAS Number> (29)
122883-93-6

$$$$
TSU-68 (SU6668).cdx
csChFnd80/07171813172D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2895    6.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019    6.1484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2895    8.2435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 14 23  1  0  0  0  0
M  END
>  <Mol_ID> (30)
352

>  <Formula> (30)
C18H18N2O3

>  <MolWeight> (30)
310.34712

>  <Item Name> (30)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (30)
S1470

>  <Synonyms> (30)
NSC 702827

>  <Target> (30)
VEGFR, PDGFR , FGFR 

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (30)
252916-29-3

$$$$
PD318088.cdx
csChFnd80/07171813172D

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>  <Catalog Number> (31)
S1568

>  <Synonyms> (31)
N/A

>  <Target> (31)
MEK 

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/PD318088.html

>  <CAS Number> (31)
391210-00-7 

$$$$
Apixaban.cdx
csChFnd80/07171813172D

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435

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C25H25N5O4

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Apixaban

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S1593

>  <Synonyms> (32)
N/A

>  <Target> (32)
Factor Xa 

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (32)
503612-47-3

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/07171813172D

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C16H14O3

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Ketoprofen (Actron)

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S1645

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Orudis, Oruvail 

>  <Target> (33)
COX

>  <Form> (33)
Free Base

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

>  <CAS Number> (33)
22071-15-4

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/07171813172D

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>  <Mol_ID> (34)
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S1658

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Tikosyn, UK68798

>  <Target> (34)
Potassium Channel

>  <Form> (34)
Free Base

>  <URL> (34)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (34)
115256-11-6

$$$$
GLIPIZIDE (glipizide).cdx
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M  END
>  <Mol_ID> (35)
517

>  <Formula> (35)
C21H27N5O4S

>  <MolWeight> (35)
445.53518

>  <Item Name> (35)
Glipizide (Glucotrol)

>  <Catalog Number> (35)
S1715

>  <Synonyms> (35)
Glucotrol XL 

>  <Target> (35)
Others

>  <Form> (35)
Free Base

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

>  <CAS Number> (35)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/07171813172D

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9320    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  8  9  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (36)
518

>  <Formula> (36)
C23H28ClN3O5S

>  <MolWeight> (36)
494.00352

>  <Item Name> (36)
Glyburide (Glibenclamide)

>  <Catalog Number> (36)
S1716

>  <Synonyms> (36)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (36)
Potassium Channel

>  <Form> (36)
Free Base

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

>  <CAS Number> (36)
10238-21-8 

$$$$
Levonorgestrel.cdx
csChFnd80/07171813172D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
524

>  <Formula> (37)
C21H28O2

>  <MolWeight> (37)
312.44582

>  <Item Name> (37)
Levonorgestrel (Levonelle)

>  <Catalog Number> (37)
S1727

>  <Synonyms> (37)
Levonelle, D-Norgestrel, Levonova

>  <Target> (37)
Estrogen/progestogen Receptor

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/07171813172D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  3  8  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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M  END
>  <Mol_ID> (38)
525

>  <Formula> (38)
C15H22O3

>  <MolWeight> (38)
250.33338

>  <Item Name> (38)
Gemfibrozil (Lopid)

>  <Catalog Number> (38)
S1729

>  <Synonyms> (38)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (38)
PPAR

>  <Form> (38)
Free Base

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

>  <CAS Number> (38)
25812-30-0

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/07171813172D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (39)
527

>  <Formula> (39)
C22H30O5

>  <MolWeight> (39)
374.4706

>  <Item Name> (39)
Methylprednisolone

>  <Catalog Number> (39)
S1733

>  <Synonyms> (39)
Medrol, Solu-Medrol, Medrone

>  <Target> (39)
Glucocorticoid Receptor

>  <Form> (39)
Free Base

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

>  <CAS Number> (39)
83-43-2

$$$$
ALTACE (ramipril).cdx
csChFnd80/07171813172D

 30 32  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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 16 17  1  0  0  0  0
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 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (40)
554

>  <Formula> (40)
C23H32N2O5

>  <MolWeight> (40)
416.51058

>  <Item Name> (40)
Ramipril (Altace)

>  <Catalog Number> (40)
S1793

>  <Synonyms> (40)
Tritace

>  <Target> (40)
RAAS

>  <Form> (40)
Free Base

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

>  <CAS Number> (40)
87333-19-5

$$$$
ADALAT (nifedipine).cdx
csChFnd80/07171813172D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10 11  1  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (41)
560

>  <Formula> (41)
C17H18N2O6

>  <MolWeight> (41)
346.33462

>  <Item Name> (41)
Nifedipine (Adalat)

>  <Catalog Number> (41)
S1808

>  <Synonyms> (41)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (41)
Calcium Channel

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (41)
21829-25-4

$$$$
untitled.cdx
csChFnd80/07171813172D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (42)
594

>  <Formula> (42)
C29H41F2N5O

>  <MolWeight> (42)
513.6655464

>  <Item Name> (42)
Maraviroc

>  <Catalog Number> (42)
S2003

>  <Synonyms> (42)
UK-427857, Celsentri 

>  <Target> (42)
CCR5 

>  <Form> (42)
Free Base

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

>  <CAS Number> (42)
376348-65-1

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/07171813172D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (43)
739

>  <Formula> (43)
C20H25ClN2O5

>  <MolWeight> (43)
408.8759

>  <Item Name> (43)
Amlodipine (Norvasc)

>  <Catalog Number> (43)
S1905

>  <Synonyms> (43)
Istin, Norvasc, Caduet

>  <Target> (43)
Calcium Channel

>  <Form> (43)
Free Base

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

>  <CAS Number> (43)
88150-42-9

$$$$
Clindamycin HCl.cdx
csChFnd80/07171813172D

 28 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (44)
813

>  <Formula> (44)
C18H34Cl2N2O5S

>  <MolWeight> (44)
461.44396

>  <Item Name> (44)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (44)
S2457

>  <Synonyms> (44)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya 

>  <Target> (44)
Antifection

>  <Form> (44)
Hydrochloride

>  <URL> (44)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (44)
21462-39-5

$$$$
CP-690550 citrate.cdx
csChFnd80/07171813172D

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M  END
>  <Mol_ID> (45)
891

>  <Formula> (45)
C22H28N6O8

>  <MolWeight> (45)
504.49312

>  <Item Name> (45)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (45)
S5001

>  <Synonyms> (45)
N/A 

>  <Target> (45)
JAK

>  <Form> (45)
Citrate

>  <URL> (45)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (45)
540737-29-9

$$$$
Tolterodine tartrate.cdx
csChFnd80/07171813172D

 34 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (46)
914

>  <Formula> (46)
C26H37NO7

>  <MolWeight> (46)
475.57448

>  <Item Name> (46)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (46)
S2550

>  <Synonyms> (46)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (46)
AChR

>  <Form> (46)
Tartrate 

>  <URL> (46)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (46)
124937-52-6

$$$$
PF2545920.cdx
csChFnd80/07171813172D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (47)
950

>  <Formula> (47)
C25H20N4O

>  <MolWeight> (47)
392.4525

>  <Item Name> (47)
PF-2545920

>  <Catalog Number> (47)
S2687

>  <Synonyms> (47)
N/A

>  <Target> (47)
PDE

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/pf-2545920.html

>  <CAS Number> (47)
1292799-56-4 

$$$$
PF-00562271.cdx
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p38 MAPK

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   14.9590    6.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980    4.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5356    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    2.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8779    2.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1880    2.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    8.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
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  1  9  1  0  0  0  0
  6 10  1  0  0  0  0
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 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
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 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  2  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 28  1  0  0  0  0
 25 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
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 38 39  2  0  0  0  0
 39 25  1  0  0  0  0
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 43 44  1  0  0  0  0
  4 45  1  6  0  0  0
M  END
>  <Mol_ID> (55)
1071

>  <Formula> (55)
C25H27N9O8S2

>  <MolWeight> (55)
645.66738

>  <Item Name> (55)
Cefoperazone (Cefobid)

>  <Catalog Number> (55)
S1611

>  <Synonyms> (55)
N/A 

>  <Target> (55)
Antifection

>  <Form> (55)
Free Base

>  <URL> (55)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (55)
62893-19-0

$$$$
Clindamycin palmitate hydrochloride.cdx
csChFnd80/07171813172D

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  5  9  1  0  0  0  0
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M  END
>  <Mol_ID> (56)
1076

>  <Formula> (56)
C34H64Cl2N2O6S

>  <MolWeight> (56)
699.85276

>  <Item Name> (56)
Clindamycin palmitate HCl

>  <Catalog Number> (56)
S2596

>  <Synonyms> (56)
N/A

>  <Target> (56)
Others

>  <Form> (56)
Hydrochloride

>  <URL> (56)
http://www.selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (56)
25507-04-4 

$$$$
Miglitol.cdx
csChFnd80/07171813172D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.0951    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.3976    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  1  8  1  6  0  0  0
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  4 10  1  1  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (57)
1082

>  <Formula> (57)
C8H17NO5

>  <MolWeight> (57)
207.22428

>  <Item Name> (57)
Miglitol (Glyset)

>  <Catalog Number> (57)
S2589

>  <Synonyms> (57)
N/A 

>  <Target> (57)
Others

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (57)
72432-03-2

$$$$
Quinapril hydrochloride.cdx
csChFnd80/07171813172D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 14  2  0  0  0  0
  9 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 15 19  2  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 13  1  0  0  0  0
 20 25  1  1  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 23  1  0  0  0  0
 11 32  1  1  0  0  0
M  END
>  <Mol_ID> (58)
1100

>  <Formula> (58)
C25H31ClN2O5

>  <MolWeight> (58)
474.97704

>  <Item Name> (58)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (58)
S2581

>  <Synonyms> (58)
N/A 

>  <Target> (58)
RAAS

>  <Form> (58)
Hydrochloride

>  <URL> (58)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (58)
82586-55-8

$$$$
Clindamycin phosphate.cdx
csChFnd80/07171813172D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0034    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0034    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6407    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6407    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (59)
1105

>  <Formula> (59)
C18H34ClN2O8PS

>  <MolWeight> (59)
504.962921

>  <Item Name> (59)
Clindamycin phosphate

>  <Catalog Number> (59)
S2048

>  <Synonyms> (59)
N/A

>  <Target> (59)
Antifection

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
24729-96-2

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (60)
1147

>  <Formula> (60)
C25H30ClI2NO3

>  <MolWeight> (60)
681.77254

>  <Item Name> (60)
Amiodarone HCl

>  <Catalog Number> (60)
S1979 

>  <Synonyms> (60)
N/A

>  <Target> (60)
Potassium Channel

>  <Form> (60)
Hydrochloride

>  <URL> (60)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (60)
19774-82-4

$$$$
PF-5274857.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (61)
1172

>  <Formula> (61)
C20H25ClN4O3S

>  <MolWeight> (61)
436.9555

>  <Item Name> (61)
PF-5274857

>  <Catalog Number> (61)
S2777

>  <Synonyms> (61)
N/A 

>  <Target> (61)
Smoothened 

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/pf-5274857.html

>  <CAS Number> (61)
1373615-35-0

$$$$
CP-690550.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (62)
1181

>  <Formula> (62)
C16H20N6O

>  <MolWeight> (62)
312.3696

>  <Item Name> (62)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (62)
S2789

>  <Synonyms> (62)
Tasocitinib 

>  <Target> (62)
JAK

>  <Form> (62)
Free Base

>  <URL> (62)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (62)
477600-75-2

$$$$
Torcetrapib.cdx
csChFnd80/07171813172D

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>  <Synonyms> (63)
N/A 

>  <Target> (63)
CETP

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Free Base

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http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (63)
262352-17-0

$$$$
CP 673451.cdx
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CP673451 

>  <Target> (64)
Others

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Free Base

>  <URL> (64)
http://www.selleckchem.com/products/CP-673451.html

>  <CAS Number> (64)
343787-29-1

$$$$

csChFnd80/07171813172D

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>  <Mol_ID> (65)
1239

>  <Formula> (65)
C19H24BrNO5S2

>  <MolWeight> (65)
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>  <Item Name> (65)
Tiotropium Bromide hydrate

>  <Catalog Number> (65)
S2547

>  <Synonyms> (65)
N/A 

>  <Target> (65)
AChR

>  <Form> (65)
quaternary-N bromide salt&hydr

>  <URL> (65)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (65)
139404-48-1

$$$$
Betaxolol.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (66)
1386

>  <Formula> (66)
C18H29NO3

>  <MolWeight> (66)
307.42776

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Betaxolol (Betoptic)

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S2091

>  <Synonyms> (66)
N/A

>  <Target> (66)
Adrenergic Receptor

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
659-18-7

$$$$
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csChFnd80/07171813172D

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1428

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C20H34O5

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>  <Item Name> (67)
Alprostadil(Caverject)

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S1508

>  <Synonyms> (67)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (67)
Immunology & Inflammation related

>  <Form> (67)
Free Base

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

>  <CAS Number> (67)
745-65-3

$$$$
Sulbactam.cdx
csChFnd80/07171813172D

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1436

>  <Formula> (68)
C8H11NO5S

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233.24164

>  <Item Name> (68)
Sulbactam

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S1958

>  <Synonyms> (68)
N/A

>  <Target> (68)
Antifection

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
68373-14-8

$$$$
Atorvastatin calcium.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (69)
1456

>  <Formula> (69)
C66H68CaF2N4O10

>  <MolWeight> (69)
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>  <Item Name> (69)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (69)
S2077

>  <Synonyms> (69)
N/A

>  <Target> (69)
HMG-CoA Reductase

>  <Form> (69)
Calcium 

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

>  <CAS Number> (69)
134523-03-8

$$$$

csChFnd80/07171813172D

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N/A

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Sodium Channel

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Fumarate

>  <URL> (70)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (70)
122647-32-9

$$$$
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Azulfidine, Salazopyrin, Sulphasalazine

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COX,NF-¦ÊB

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Free Base

>  <URL> (71)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (71)
599-79-1

$$$$
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PF-04708671

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Free Base

>  <URL> (72)
http://www.selleckchem.com/products/pf-4708671.html

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1255517-76-0

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1390637-82-7

$$$$
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Procollagen C Proteinase

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Free Base

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http://www.selleckchem.com/products/uk-383367.html

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348622-88-8

$$$$
PF-06405761.cdx
csChFnd80/07171813172D

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PFI-1(PF-6405761) 

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S1216

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PF-06405761

>  <Target> (75)
Epigenetic Reader Domain

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Free Base

>  <URL> (75)
http://www.selleckchem.com/products/pfl-1.html

>  <CAS Number> (75)
1403764-72-6

$$$$
Azithromycin dihydrate.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (76)
1700

>  <Formula> (76)
C38H76N2O14

>  <MolWeight> (76)
785.01504

>  <Item Name> (76)
Azithromycin Dihydrate

>  <Catalog Number> (76)
S4147

>  <Synonyms> (76)
N/A

>  <Target> (76)
Antifection

>  <Form> (76)
Free Base

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

>  <CAS Number> (76)
117772-70-0

$$$$
Bazedoxifene acetate.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (77)
1895

>  <Formula> (77)
C32H38N2O5

>  <MolWeight> (77)
530.65452

>  <Item Name> (77)
Bazedoxifene Acetate

>  <Catalog Number> (77)
S2167

>  <Synonyms> (77)
N/A

>  <Target> (77)
Estrogen/progestogen Receptor

>  <Form> (77)
Acetate

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

>  <CAS Number> (77)
198481-33-3

$$$$
Temsirolimus.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (78)
2325

>  <Formula> (78)
C56H87NO16

>  <MolWeight> (78)
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>  <Item Name> (78)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (78)
S1044

>  <Synonyms> (78)
N/A

>  <Target> (78)
mTOR

>  <Form> (78)
Free Base

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

>  <CAS Number> (78)
162635-04-3

$$$$
PD128907.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (79)
2350

>  <Formula> (79)
C14H20ClNO3

>  <MolWeight> (79)
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PD128907 HCl

>  <Catalog Number> (79)
S2168

>  <Synonyms> (79)
PD128907

>  <Target> (79)
Dopamine Receptor

>  <Form> (79)
Hydrochloride

>  <URL> (79)
http://www.selleckchem.com/products/PD-128907.html

>  <CAS Number> (79)
112960-16-4

$$$$
PF-2341066.cdx
csChFnd80/07171813172D

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>  <Mol_ID> (80)
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>  <Item Name> (80)
Crizotinib (PF-02341066)

>  <Catalog Number> (80)
S1068

>  <Synonyms> (80)
N/A 

>  <Target> (80)
c-Met, ALK

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (80)
877399-52-5, 877399-53-6 (acetate)

$$$$
PF-00080665.cdx
csChFnd80/07171813172D

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    2.8862    3.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2133    3.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2581    6.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9650    4.9675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4247    5.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1377    2.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7114    2.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    1.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109    1.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0044    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4252    0.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7157    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7425    0.4593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4545    0.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665    0.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8784    0.8704    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (81)
2475

>  <Formula> (81)
C26H35N7O6S

>  <MolWeight> (81)
573.6644

>  <Item Name> (81)
PD 0332991 (Palbociclib) Isethionate

>  <Catalog Number> (81)
S1579

>  <Synonyms> (81)
N/A

>  <Target> (81)
CDK

>  <Form> (81)
Isethionate

>  <URL> (81)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

>  <CAS Number> (81)
827022-33-3, 571190-30-2(free base)

$$$$
