
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (1)
69

>  <Formula> (1)
C19H21FN3O5P

>  <MolWeight> (1)
421.3593042

>  <Item Name> (1)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Catalog Number> (1)
S1098

>  <Synonyms> (1)
AG-014447 

>  <Target> (1)
PARP 

>  <Form> (1)
Phosphate

>  <URL> (1)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (1)
459868-92-9

$$$$
Streptozocin.cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (2)
247

>  <Formula> (2)
C8H15N3O7

>  <MolWeight> (2)
265.2206

>  <Item Name> (2)
Streptozotocin (STZ)

>  <Catalog Number> (2)
S1312

>  <Synonyms> (2)
NSC-85998

>  <Target> (2)
DNA alkylator

>  <Form> (2)
Free Base

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

>  <CAS Number> (2)
18883-66-4

$$$$
Glimepiride.cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (3)
267

>  <Formula> (3)
C24H34N4O5S

>  <MolWeight> (3)
490.61556

>  <Item Name> (3)
Glimepiride

>  <Catalog Number> (3)
S1344

>  <Synonyms> (3)
Amaryl, Glista OD

>  <Target> (3)
DPP-4

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
93479-97-1

$$$$
resveratrol.cdx
csChFnd80/10101813152D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (4)
299

>  <Formula> (4)
C14H12O3

>  <MolWeight> (4)
228.24328

>  <Item Name> (4)
Resveratrol

>  <Catalog Number> (4)
S1396

>  <Synonyms> (4)
N/A

>  <Target> (4)
Sirtuin

>  <Form> (4)
Free Base

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

>  <CAS Number> (4)
501-36-0

$$$$
Repaglinide.cdx
csChFnd80/10101813152D

 33 35  0  0  0  0  0  0  0  0999 V2000
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 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (5)
316

>  <Formula> (5)
C27H36N2O4

>  <MolWeight> (5)
452.58574

>  <Item Name> (5)
Repaglinide

>  <Catalog Number> (5)
S1426

>  <Synonyms> (5)
Prandin, GlucoNorm, NovoNorm

>  <Target> (5)
Potassium Channel

>  <Form> (5)
Free Base

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

>  <CAS Number> (5)
135062-02-1

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/10101813152D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18  1  1  1  0  0  0
 20 24  1  1  0  0  0
 22 25  1  1  0  0  0
 21 26  1  6  0  0  0
 23 27  1  6  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (6)
403

>  <Formula> (6)
C21H25ClO6

>  <MolWeight> (6)
408.8726

>  <Item Name> (6)
Dapagliflozin

>  <Catalog Number> (6)
S1548

>  <Synonyms> (6)
BMS-512148

>  <Target> (6)
SGLT 

>  <Form> (6)
Free Base

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

>  <CAS Number> (6)
461432-26-8

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10101813152D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (7)
460

>  <Formula> (7)
C5H4N4NaO+

>  <MolWeight> (7)
159.10123

>  <Item Name> (7)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (7)
S1631

>  <Synonyms> (7)
 Lopurin, Zyloprim, Aloprim

>  <Target> (7)
Others

>  <Form> (7)
Sodium Salt

>  <URL> (7)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (7)
17795-21-0

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/10101813152D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    6.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    6.1076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5651    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  2  0  0  0  0
  7 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (8)
515

>  <Formula> (8)
C21H27N5O4S

>  <MolWeight> (8)
445.53518

>  <Item Name> (8)
Glipizide (Glucotrol)

>  <Catalog Number> (8)
S1715

>  <Synonyms> (8)
Glucotrol XL 

>  <Target> (8)
Others

>  <Form> (8)
Free Base

>  <URL> (8)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (8)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/10101813152D

 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
    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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    8.3903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 10 18  2  0  0  0  0
 10 19  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 29 31  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (9)
516

>  <Formula> (9)
C23H28ClN3O5S

>  <MolWeight> (9)
494.00352

>  <Item Name> (9)
Glyburide (Glibenclamide)

>  <Catalog Number> (9)
S1716

>  <Synonyms> (9)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (9)
Potassium Channel

>  <Form> (9)
Free Base

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

>  <CAS Number> (9)
10238-21-8 

$$$$
GSK 1292263.cdx
csChFnd80/10101813152D

 32 35  0  0  0  0  0  0  0  0999 V2000
   15.0436    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3181    3.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9115    3.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2373    2.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9629    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3695    0.8995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4501    2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1757    0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5823    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2563    2.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5309    3.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1243    3.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6558    2.2418    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.6855    0.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6263    3.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0553    2.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8378    2.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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GPR 

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1032823-75-8

$$$$
nateglinide.cdx
csChFnd80/10101813152D

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Potassium Channel

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Free Base

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http://www.selleckchem.com/products/Nateglinide(Starlix).html

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105816-04-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10101813152D

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AMPK

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Hydrochloride 

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http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (12)
834-28-6

$$$$
Linagliptin.cdx
csChFnd80/10101813152D

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1018

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C25H28N8O2

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>  <Catalog Number> (13)
S3031 

>  <Synonyms> (13)
N/A 

>  <Target> (13)
DPP-4

>  <Form> (13)
Free Base

>  <URL> (13)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (13)
668270-12-0

$$$$
Miglitol.cdx
csChFnd80/10101813152D

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C8H17NO5

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S2589

>  <Synonyms> (14)
N/A 

>  <Target> (14)
Others

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Free Base

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

>  <CAS Number> (14)
72432-03-2

$$$$
Pioglitazone.cdx
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (15)
1081

>  <Formula> (15)
C19H20N2O3S

>  <MolWeight> (15)
356.4387

>  <Item Name> (15)
Pioglitazone (Actos)

>  <Catalog Number> (15)
S2590

>  <Synonyms> (15)
N/A 

>  <Target> (15)
PPAR

>  <Form> (15)
Free Base

>  <URL> (15)
http://www.selleckchem.com/products/pioglitazone-actos.html

>  <CAS Number> (15)
111025-46-8

$$$$
Gliclazide.cdx
csChFnd80/10101813152D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (16)
1093

>  <Formula> (16)
C15H21N3O3S

>  <MolWeight> (16)
323.41054

>  <Item Name> (16)
Gliclazide (Diamicron)

>  <Catalog Number> (16)
S2601 

>  <Synonyms> (16)
N/A 

>  <Target> (16)
Potassium Channel

>  <Form> (16)
Free Base

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

>  <CAS Number> (16)
21187-98-4

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/10101813152D

 26 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (17)
1115

>  <Formula> (17)
C19H21ClN2O3S

>  <MolWeight> (17)
392.89964

>  <Item Name> (17)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (17)
S2046

>  <Synonyms> (17)
N/A 

>  <Target> (17)
P450 (e.g. CYP17)

>  <Form> (17)
Hydrochloride

>  <URL> (17)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (17)
112529-15-4

$$$$

csChFnd80/10101813152D

 75 80  0  0  0  0  0  0  0  0999 V2000
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S2637

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GPR 

>  <Form> (18)
Hydrate

>  <URL> (18)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (18)
1374598-80-7

$$$$
MK-8245.cdx
csChFnd80/10101813152D

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MK-8245

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S1158

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N/A

>  <Target> (19)
Dehydrogenase

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Free Base

>  <URL> (19)
http://www.selleckchem.com/products/mk-8245.html

>  <CAS Number> (19)
1030612-90-8

$$$$
Canagliflozin.cdx
csChFnd80/10101813152D

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1158

>  <Formula> (20)
C24H25FO5S

>  <MolWeight> (20)
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Canagliflozin

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S2760 

>  <Synonyms> (20)
N/A

>  <Target> (20)
SGLT 

>  <Form> (20)
Free Base

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

>  <CAS Number> (20)
842133-18-0

$$$$
vildagliptin.cdx
csChFnd80/10101813152D

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1213

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C17H25N3O2

>  <MolWeight> (21)
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S3033

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Galvus 

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DPP-4

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Free Base

>  <URL> (21)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

>  <CAS Number> (21)
274901-16-5

$$$$
Acarbose.cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (22)
1233

>  <Formula> (22)
C25H43NO18

>  <MolWeight> (22)
645.60482

>  <Item Name> (22)
Acarbose

>  <Catalog Number> (22)
S1271

>  <Synonyms> (22)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (22)
Others

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
56180-94-0

$$$$
Gliquidone.cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (23)
1251

>  <Formula> (23)
C27H33N3O6S

>  <MolWeight> (23)
527.63242

>  <Item Name> (23)
Gliquidone

>  <Catalog Number> (23)
S3151

>  <Synonyms> (23)
Glurenorm 

>  <Target> (23)
Potassium Channel

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
33342-05-1

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (24)
1450

>  <Formula> (24)
C18H20ClN3O3S

>  <MolWeight> (24)
393.8877

>  <Item Name> (24)
Rosiglitazone HCl

>  <Catalog Number> (24)
S2075

>  <Synonyms> (24)
N/A

>  <Target> (24)
PPAR

>  <Form> (24)
HCl

>  <URL> (24)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (24)
302543-62-0

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (25)
1451

>  <Formula> (25)
C21H31N3O5

>  <MolWeight> (25)
405.48794

>  <Item Name> (25)
Lisinopril (Zestril)

>  <Catalog Number> (25)
S2076

>  <Synonyms> (25)
Prinivil

>  <Target> (25)
RAAS

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (25)
83915-83-7

$$$$
GW501516.cds
csChFnd80/10101813152D

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>  <Mol_ID> (26)
1886

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PPAR¦Ä

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free base

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

>  <CAS Number> (26)
317318-70-0

$$$$
Thioridazine hydrochloride.cdx
csChFnd80/10101813152D

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C21H27ClN2S2

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Thioridazine hydrochloride

>  <Catalog Number> (27)
S5563

>  <Synonyms> (27)
Aldazine, Mellaril

>  <Target> (27)
Others

>  <Form> (27)
hydrochloride 

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

>  <CAS Number> (27)
130-61-0

$$$$
PF-04620110.cdx
csChFnd80/10101813152D

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2232

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C21H24N4O4

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PF-04620110

>  <Catalog Number> (28)
S7192

>  <Synonyms> (28)
N/A

>  <Target> (28)
Transferase

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/pf-04620110.html

>  <CAS Number> (28)
1109276-89-2

$$$$
S4002.cdx
csChFnd80/10101813152D

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2534

>  <Formula> (29)
C16H20F6N5O6P

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>  <Item Name> (29)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (29)
S4002

>  <Synonyms> (29)
MK-0431

>  <Target> (29)
DPP-4

>  <Form> (29)
phosphate &monohydrate

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

>  <CAS Number> (29)
654671-77-9

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813152D

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>  <Mol_ID> (30)
3026

>  <Formula> (30)
C15H14O6

>  <MolWeight> (30)
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>  <Item Name> (30)
(+)-Catechin hydrate

>  <Catalog Number> (30)
S3974

>  <Synonyms> (30)
N/A

>  <Target> (30)
Others

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hydrate 

>  <URL> (30)
http://selleckchem.com/products/catechin-hydrate.html

>  <CAS Number> (30)
225937-10-0

$$$$
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S8565

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N/A

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DPP-4

>  <Form> (31)
free base
free base

>  <URL> (31)
http://www.selleckchem.com/products/omarigliptin-mk-3102.html

>  <CAS Number> (31)
1226781-44-7

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/10101813152D

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3266

>  <Formula> (32)
C21H21FO5S

>  <MolWeight> (32)
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>  <Item Name> (32)
Ipragliflozin (ASP1941)

>  <Catalog Number> (32)
S8637

>  <Synonyms> (32)
N/A

>  <Target> (32)
SGLT2 

>  <Form> (32)
free base

>  <URL> (32)
http://www.selleckchem.com/products/ipragliflozin-asp-1941.html

>  <CAS Number> (32)
761423-87-4

$$$$
S3763 Cinnamaldehyde.cdx
csChFnd80/10101813152D

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3492

>  <Formula> (33)
C9H8O

>  <MolWeight> (33)
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Cinnamaldehyde

>  <Catalog Number> (33)
S3763

>  <Synonyms> (33)
N/A

>  <Target> (33)
TRPA1

>  <Form> (33)
free base

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

>  <CAS Number> (33)
14371-10-9

$$$$
S3835 Loganin.cdx
csChFnd80/10101813152D

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>  <Mol_ID> (34)
3511

>  <Formula> (34)
C17H26O10

>  <MolWeight> (34)
390.38234

>  <Item Name> (34)
Loganin

>  <Catalog Number> (34)
S3835

>  <Synonyms> (34)
Loganoside

>  <Target> (34)
AChE,BACE1,BChE

>  <Form> (34)
free base

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

>  <CAS Number> (34)
18524-94-2

$$$$
S3890 Leonurine.cdx
csChFnd80/10101813152D

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M  END
>  <Mol_ID> (35)
3583

>  <Formula> (35)
C14H21N3O5

>  <MolWeight> (35)
311.33364

>  <Item Name> (35)
Leonurine

>  <Catalog Number> (35)
S3890

>  <Synonyms> (35)
N/A

>  <Target> (35)
Others

>  <Form> (35)
free base

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

>  <CAS Number> (35)
24697-74-3

$$$$
S3802 Trigonelline Hydrochloride.cdx
csChFnd80/10101813152D

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>  <Mol_ID> (36)
3597

>  <Formula> (36)
C7H8ClNO2

>  <MolWeight> (36)
173.59692

>  <Item Name> (36)
Trigonelline Hydrochloride

>  <Catalog Number> (36)
S3802

>  <Synonyms> (36)
Nicotinic acid N-methylbetaine Hydrochloride, Coffearine Hydrochloride, Coffearine Hydrochloride

>  <Target> (36)
Others

>  <Form> (36)
chloride

>  <URL> (36)
http://www.selleckchem.com/products/trigonelline-hydrochloride.html

>  <CAS Number> (36)
6138-41-6

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/10101813152D

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  1 25  1  1  0  0  0
M  END
>  <Mol_ID> (37)
3689

>  <Formula> (37)
C20H30O3

>  <MolWeight> (37)
318.4504

>  <Item Name> (37)
Iso-Steviol

>  <Catalog Number> (37)
S3905

>  <Synonyms> (37)
N/A

>  <Target> (37)
Others

>  <Form> (37)
free base

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

>  <CAS Number> (37)
27975-19-5

$$$$
S3818 Tectoridin.cdx
csChFnd80/10101813152D

 33 36  0  0  0  0  0  0  0  0999 V2000
    8.4232    2.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4232    3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8441    3.4542    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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  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
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 11 15  1  0  0  0  0
 16 13  1  1  0  0  0
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 21 25  1  0  0  0  0
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M  END
>  <Mol_ID> (38)
3706

>  <Formula> (38)
C22H22O11

>  <MolWeight> (38)
462.40348

>  <Item Name> (38)
Tectoridin

>  <Catalog Number> (38)
S3818

>  <Synonyms> (38)
Shekanin

>  <Target> (38)
Others

>  <Form> (38)
free base

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

>  <CAS Number> (38)
611-40-5

$$$$
S3998 Lipoic acid.cdx
csChFnd80/10101813152D

 12 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2777    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4281    1.4000    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
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  3 10  1  1  0  0  0
M  END
>  <Mol_ID> (39)
3824

>  <Formula> (39)
C8H14O2S2

>  <MolWeight> (39)
206.32556

>  <Item Name> (39)
(+)-¦Á-Lipoic acid

>  <Catalog Number> (39)
S3998

>  <Synonyms> (39)
(R)-(+)-¦Á-Lipoic acid, ¦Á-Lipoic acid, Alpha-Lipoic acid

>  <Target> (39)
Others

>  <Form> (39)
free base

>  <URL> (39)
http://www.selleckchem.com/products/alpha-lipoic-acid.html

>  <CAS Number> (39)
1200-22-2

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/10101813152D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 25 20  1  0  0  0  0
 22 26  1  1  0  0  0
  8  9  3  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (40)
3864

>  <Formula> (40)
C22H26FN5O6

>  <MolWeight> (40)
475.4701432

>  <Item Name> (40)
Trelagliptin succinate

>  <Catalog Number> (40)
S5063

>  <Synonyms> (40)
N/A

>  <Target> (40)
DPP-4

>  <Form> (40)
succinate

>  <URL> (40)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (40)
1029877-94-8

$$$$
S5079 Sitagliptin.cdx
csChFnd80/10101813152D

 28 30  0  0  0  0  0  0  0  0999 V2000
   13.4915    2.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5129    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9335    5.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6632    5.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9178    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 25 14  1  0  0  0  0
 15 16  1  0  0  0  0
 26 15  1  0  0  0  0
 16 17  2  0  0  0  0
 27 16  1  0  0  0  0
 19 21  1  0  0  0  0
 21 28  1  1  0  0  0
M  END
>  <Mol_ID> (41)
3906

>  <Formula> (41)
C16H15F6N5O

>  <MolWeight> (41)
407.3136192

>  <Item Name> (41)
Sitagliptin

>  <Catalog Number> (41)
S5079

>  <Synonyms> (41)
MK-0431

>  <Target> (41)
DPP-4

>  <Form> (41)
free base

>  <URL> (41)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (41)
486460-32-6

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/10101813152D

 25 29  0  0  0  0  0  0  0  0999 V2000
    5.7918    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    2.1001    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7918    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3669    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0043    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167    7.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4292    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7607    4.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7607    6.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5835    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867    1.4888    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (42)
3917

>  <Formula> (42)
C19H14ClNO4

>  <MolWeight> (42)
355.77176

>  <Item Name> (42)
Coptisine chloride

>  <Catalog Number> (42)
S5249

>  <Synonyms> (42)
Q-100696, NSC-119754

>  <Target> (42)
Others

>  <Form> (42)
chloride 

>  <URL> (42)
http://selleckchem.com/products/coptisine-chloride.html

>  <CAS Number> (42)
6020-18-4

$$$$
S4881 Calcium Dobesilate.cdx
csChFnd80/10101813152D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4299    4.2391    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    4.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    5.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8312    4.2391    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6354    2.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479    2.8343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9807    4.3344    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
A   13
?0.5Ca2+?
M  END
>  <Mol_ID> (43)
3950

>  <Formula> (43)
C6H5O5RS-

>  <MolWeight> (43)
189.1659

>  <Item Name> (43)
Calcium Dobesilate

>  <Catalog Number> (43)
S4881

>  <Synonyms> (43)
calcium dihydroxy-2,5-benzenesulfonate

>  <Target> (43)
Others

>  <URL> (43)
http://selleckchem.com/products/calcium-dobesilate.html

>  <CAS Number> (43)
20123-80-2

$$$$
S5341 Metroprolol succinate.cdx
csChFnd80/10101813152D

 46 45  0  0  0  0  0  0  0  0999 V2000
    7.3289    2.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3314    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1069    2.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    2.8022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1137    0.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9029    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    2.8054    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6775    0.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1759    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    4.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4662    0.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3888    2.8062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6010    2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410    0.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8135    2.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6010    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5942    4.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8066    5.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3818    5.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191    4.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1693    4.4812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3818    6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2315    5.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0191    3.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2877    7.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903    6.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0657    8.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    8.3630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0727    5.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8619    7.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7089    7.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    6.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    8.3663    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6365    5.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1347    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9232    9.7673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    6.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3476    8.3671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5598    7.6672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7723    8.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5598    6.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
 38 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 43 46  1  0  0  0  0
M  END
>  <Mol_ID> (44)
4228

>  <Formula> (44)
C34H56N2O10

>  <MolWeight> (44)
652.81584

>  <Item Name> (44)
Metroprolol succinate

>  <Catalog Number> (44)
S5341

>  <Synonyms> (44)
Metoprolol succinate

>  <Target> (44)
Adrenergic Receptor

>  <Form> (44)
succinate

>  <URL> (44)
http://selleckchem.com/products/metroprolol-succinate.html

>  <CAS Number> (44)
98418-47-4

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/10101813152D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.4269    4.8810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4293    3.4859    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6281    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8468    3.4845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8468    4.8867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6302    5.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6281    1.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    5.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.7859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0593    2.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    5.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2677    4.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4788    5.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    6.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0524    6.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    4.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6915    7.6873    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9034    5.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1150    4.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    5.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3274    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1153    7.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5398    7.6816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7522    6.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9647    7.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5451    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7532    1.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  2  0  0  0  0
  4 10  1  6  0  0  0
 22 23  1  0  0  0  0
  1  6  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
  5 11  1  1  0  0  0
 22 25  1  0  0  0  0
  2  3  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  2  0  0  0  0
 26 27  1  0  0  0  0
  3  4  1  0  0  0  0
 12 13  1  0  0  0  0
  4  5  1  0  0  0  0
 13 14  2  0  0  0  0
  5  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  3  7  1  1  0  0  0
 13 17  1  0  0  0  0
  1  2  1  0  0  0  0
 14 18  1  0  0  0  0
  1  8  1  1  0  0  0
  8 28  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  2  9  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  6  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (45)
4354

>  <Formula> (45)
C24H35ClO9

>  <MolWeight> (45)
502.9823

>  <Item Name> (45)
Dapagliflozin propanediol monohydrate

>  <Catalog Number> (45)
S5566

>  <Synonyms> (45)
N/A

>  <Target> (45)
SGLT

>  <Form> (45)
monohydrate

>  <URL> (45)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

>  <CAS Number> (45)
960404-48-2

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10101813152D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    5.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2555    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7798    6.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    4.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    8.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    8.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    7.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    6.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (46)
4401

>  <Formula> (46)
C20H18O6

>  <MolWeight> (46)
354.35332

>  <Item Name> (46)
Acetyl Resveratrol

>  <Catalog Number> (46)
S3934

>  <Synonyms> (46)
N/A

>  <Target> (46)
Sirt12

>  <Form> (46)
free base

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

>  <CAS Number> (46)
42206-94-0

$$$$
S5267 Nylidrin Hydrochloride.cdx
csChFnd80/10101813152D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0480    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    3.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3480    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    4.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3480    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7504    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (47)
4418

>  <Formula> (47)
C19H26ClNO2

>  <MolWeight> (47)
335.86824

>  <Item Name> (47)
Nylidrin Hydrochloride

>  <Catalog Number> (47)
S5267

>  <Synonyms> (47)
Buphenine hydrochloride

>  <Target> (47)
¦Â-adrenergic receptor

>  <Form> (47)
hydrochloride 

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

>  <CAS Number> (47)
849-55-8

$$$$
S5494 Salbutamol.cdx
csChFnd80/10101813152D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8477    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.7970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8439    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    4.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    2.7960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    0.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3982    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982    0.8833    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  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (48)
4454

>  <Formula> (48)
C13H21NO3

>  <MolWeight> (48)
239.31074

>  <Item Name> (48)
Salbutamol

>  <Catalog Number> (48)
S5494

>  <Synonyms> (48)
Albuterol; AH-3365

>  <Target> (48)
¦Â-adrenergic receptor

>  <Form> (48)
free base

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

>  <CAS Number> (48)
18559-94-9

$$$$
S5639 3,4-Dihydroxyphenylacetic acid.cdx
csChFnd80/10101813152D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
M  END
>  <Mol_ID> (49)
4468

>  <Formula> (49)
C8H8O4

>  <MolWeight> (49)
168.14672

>  <Item Name> (49)
3,4-Dihydroxyphenylacetic acid

>  <Catalog Number> (49)
S5639

>  <Synonyms> (49)
N/A

>  <Target> (49)
others

>  <Form> (49)
free base

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

>  <CAS Number> (49)
102-32-9

$$$$
