SRT1720.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (1)
77

>  <Formula> (1)
C25H24ClN7OS

>  <MolWeight> (1)
506.02236

>  <Cat> (1)
S1129

>  <Name> (1)
SRT1720 HCl

>  <Synonyms> (1)
N/A

>  <Target> (1)
Autophagy,Sirtuin

>  <Form> (1)
Hydrochloride

>  <CAS> (1)
1001645-58-4

>  <URL> (1)
http://selleckchem.com/products/SRT1720.html

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/04072409502D

 33 35  0  0  0  0  0  0  0  0999 V2000
    6.0411    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    6.2781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (2)
181

>  <Formula> (2)
C24H29N5O3

>  <MolWeight> (2)
435.51876

>  <Cat> (2)
S1894

>  <Name> (2)
Valsartan (CGP-48933)

>  <Synonyms> (2)
CGP-48933

>  <Target> (2)
Angiotensin Receptor

>  <Form> (2)
free base

>  <CAS> (2)
137862-53-4

>  <URL> (2)
http://selleckchem.com/products/Valsartan(Diovan).html

$$$$
Nicotinamide.cdx
csChFnd80/04072409502D

  9  9  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
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    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 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (3)
186

>  <Formula> (3)
C6H6N2O

>  <MolWeight> (3)
122.12464

>  <Cat> (3)
S1899

>  <Name> (3)
Nicotinamide (NSC 13128)

>  <Synonyms> (3)
Niacinamide, Vitamin PP, Nicotinic acid amide, Vitamin B3, NSC 27452,NSC 13128

>  <Target> (3)
Sirtuin

>  <Form> (3)
free base

>  <CAS> (3)
98-92-0

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

$$$$
Streptozocin.cdx
csChFnd80/04072409502D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4955    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8497    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (4)
209

>  <Formula> (4)
C8H15N3O7

>  <MolWeight> (4)
265.2206

>  <Cat> (4)
S1312

>  <Name> (4)
Streptozotocin (STZ)

>  <Synonyms> (4)
NSC-85998, Streptozocin, U 9889,STZ

>  <Target> (4)
Antibiotics for Mammalian Cell Culture,Antineoplastic and Immunosuppressive Antibiotics,Apoptosis related,Autophagy,DNA alkylator

>  <Form> (4)
free base

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

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

$$$$
Glimepiride.cdx
csChFnd80/04072409502D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3820    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7984    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.2191    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4315    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2191    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6397    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1737    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7749    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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 29 22  1  0  0  0  0
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 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 29 33  2  0  0  0  0
 23 34  2  0  0  0  0
M  END
>  <Mol_ID> (5)
223

>  <Formula> (5)
C24H34N4O5S

>  <MolWeight> (5)
490.61556

>  <Cat> (5)
S1344

>  <Name> (5)
Glimepiride

>  <Synonyms> (5)
HOE-490

>  <Target> (5)
Potassium Channel

>  <Form> (5)
free base

>  <CAS> (5)
93479-97-1

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

$$$$
resveratrol.cdx
csChFnd80/04072409502D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0762    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  8  1  0  0  0  0
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 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (6)
248

>  <Formula> (6)
C14H12O3

>  <MolWeight> (6)
228.24328

>  <Cat> (6)
S1396

>  <Name> (6)
Resveratrol (SRT501)

>  <Synonyms> (6)
trans-Resveratrol,SRT501

>  <Target> (6)
AMPK,Apoptosis related,Autophagy,COX,ERK,I¦ÊB/IKK,JNK,Lipoxygenase,Mitophagy,Sirtuin,Src,STAT

>  <Form> (6)
free base

>  <CAS> (6)
501-36-0

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

$$$$
Repaglinide.cdx
csChFnd80/04072409502D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0907    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5156    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0907    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2448    7.6402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2549    8.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9026    8.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5402    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5302    5.9255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.0976    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
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 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> (7)
263

>  <Formula> (7)
C27H36N2O4

>  <MolWeight> (7)
452.58574

>  <Cat> (7)
S1426

>  <Name> (7)
Repaglinide

>  <Synonyms> (7)
AG-EE 623 ZW

>  <Target> (7)
Potassium Channel

>  <Form> (7)
free base

>  <CAS> (7)
135062-02-1

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

$$$$
R406 free base.cdx
csChFnd80/04072409502D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.7976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9573    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9573    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  2  9  1  0  0  0  0
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  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 29 34  2  0  0  0  0
M  END
>  <Mol_ID> (8)
327

>  <Formula> (8)
C22H23FN6O5

>  <MolWeight> (8)
470.4536232

>  <Cat> (8)
S1533

>  <Name> (8)
R406 (free base)

>  <Synonyms> (8)
N/A

>  <Target> (8)
Apoptosis related,FLT3,Syk

>  <Form> (8)
free base

>  <CAS> (8)
841290-80-0

>  <URL> (8)
http://selleckchem.com/products/R406(free-base).html

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/04072409502D

 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
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    1.2082    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 18  1  1  1  0  0  0
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M  END
>  <Mol_ID> (9)
330

>  <Formula> (9)
C21H25ClO6

>  <MolWeight> (9)
408.8726

>  <Cat> (9)
S1548

>  <Name> (9)
Dapagliflozin (BMS-512148)

>  <Synonyms> (9)
BMS-512148

>  <Target> (9)
SGLT

>  <Form> (9)
free base

>  <CAS> (9)
461432-26-8

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

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/04072409502D

 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
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    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
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    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> (10)
425

>  <Formula> (10)
C21H27N5O4S

>  <MolWeight> (10)
445.53518

>  <Cat> (10)
S1715

>  <Name> (10)
Glipizide

>  <Synonyms> (10)
CP-28720,K 4024

>  <Target> (10)
Potassium Channel

>  <Form> (10)
free base

>  <CAS> (10)
29094-61-9

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

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/04072409502D

 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> (11)
426

>  <Formula> (11)
C23H28ClN3O5S

>  <MolWeight> (11)
494.00352

>  <Cat> (11)
S1716

>  <Name> (11)
Glyburide (Glibenclamide)

>  <Synonyms> (11)
Glibenclamide

>  <Target> (11)
Potassium Channel

>  <Form> (11)
free base

>  <CAS> (11)
10238-21-8

>  <URL> (11)
http://selleckchem.com/products/Glyburide(Diabeta).html

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/04072409502D

 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
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1979    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (12)
432

>  <Formula> (12)
C15H22O3

>  <MolWeight> (12)
250.33338

>  <Cat> (12)
S1729

>  <Name> (12)
Gemfibrozil

>  <Synonyms> (12)
CI-719

>  <Target> (12)
PPAR

>  <Form> (12)
free base

>  <CAS> (12)
25812-30-0

>  <URL> (12)
http://selleckchem.com/products/Gemfibrozil(Lopid).html

$$$$
ALTACE (ramipril).cdx
csChFnd80/04072409502D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 19  1  6  0  0  0
 22 27  1  6  0  0  0
 24 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (13)
460

>  <Formula> (13)
C23H32N2O5

>  <MolWeight> (13)
416.51058

>  <Cat> (13)
S1793

>  <Name> (13)
Ramipril

>  <Synonyms> (13)
HOE-498

>  <Target> (13)
ACE,RAAS

>  <Form> (13)
free base

>  <CAS> (13)
87333-19-5

>  <URL> (13)
http://selleckchem.com/products/Ramipril(Altace).html

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/04072409502D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  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
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (14)
461

>  <Formula> (14)
C20H21ClO4

>  <MolWeight> (14)
360.83134

>  <Cat> (14)
S1794

>  <Name> (14)
Fenofibrate (NSC-281319)

>  <Synonyms> (14)
NSC-281319

>  <Target> (14)
Autophagy,P450 (e.g. CYP17),PPAR

>  <Form> (14)
free base

>  <CAS> (14)
49562-28-9

>  <URL> (14)
http://selleckchem.com/products/Fenofibrate(Tricor).html

$$$$
Daidzein.cdx
csChFnd80/04072409502D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (15)
476

>  <Formula> (15)
C15H10O4

>  <MolWeight> (15)
254.2375

>  <Cat> (15)
S1849

>  <Name> (15)
Daidzein

>  <Synonyms> (15)
N/A

>  <Target> (15)
PPAR

>  <Form> (15)
free base

>  <CAS> (15)
486-66-8

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

$$$$
Metformin hydrochloride.cdx
csChFnd80/04072409502D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    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
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (16)
482

>  <Formula> (16)
C4H12ClN5

>  <MolWeight> (16)
165.62458

>  <Cat> (16)
S1950

>  <Name> (16)
Metformin HCl

>  <Synonyms> (16)
1,1-Dimethylbiguanide HCl

>  <Target> (16)
Autophagy,Carbohydrate Metabolism,JNK,Mitophagy,p38 MAPK

>  <Form> (16)
Hydrochloride

>  <CAS> (16)
1115-70-4

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

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/04072409502D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8776    6.3581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429    3.6951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6797    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2470    6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    2.3636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5449    2.0726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4817    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    4.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    4.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7529    2.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9760    0.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773    1.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 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  3  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 16 22  1  1  0  0  0
 10 23  1  6  0  0  0
 15 24  1  6  0  0  0
 19 25  1  6  0  0  0
 18 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (17)
510

>  <Formula> (17)
C21H27ClN2O3

>  <MolWeight> (17)
390.90368

>  <Cat> (17)
S2373

>  <Name> (17)
Yohimbine HCl

>  <Synonyms> (17)
Antagonil

>  <Target> (17)
Adrenergic Receptor

>  <Form> (17)
Hydrochloride

>  <CAS> (17)
65-19-0

>  <URL> (17)
http://selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

$$$$
5-HTP.cdx
csChFnd80/04072409502D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    4.8963    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8933    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    7.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    6.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    4.6062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 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
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (18)
511

>  <Formula> (18)
C11H12N2O3

>  <MolWeight> (18)
220.22458

>  <Cat> (18)
S2374

>  <Name> (18)
5-hydroxytryptophan (5-HTP)

>  <Synonyms> (18)
NSC-92523

>  <Target> (18)
Others

>  <Form> (18)
free base

>  <CAS> (18)
56-69-9

>  <URL> (18)
http://selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/04072409502D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6619    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0313    2.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7313    4.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7945    5.1194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1188    4.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6251    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 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 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (19)
532

>  <Formula> (19)
C19H21ClN2O3S

>  <MolWeight> (19)
392.89964

>  <Cat> (19)
S2046

>  <Name> (19)
Pioglitazone HCl

>  <Synonyms> (19)
AD-4833, U-72107E

>  <Target> (19)
Ferroptosis,P450 (e.g. CYP17),PPAR

>  <Form> (19)
Hydrochloride

>  <CAS> (19)
112529-15-4

>  <URL> (19)
http://selleckchem.com/products/pioglitazone-hydrochloride-actos.html

$$$$

csChFnd80/04072409502D

 77 82  0  0  1  0  0  0  0  0999 V2000
   11.6494   13.8211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4520   14.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6644   14.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8767   14.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0892   14.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3016   14.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.5139   14.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7264   14.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9388   14.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1513   14.9172    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   39.3636   15.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4513   16.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8513   13.7047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0892   12.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8767   12.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8767   10.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (20)
536

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C58H66O15S2

>  <MolWeight> (20)
1067.26564

>  <Cat> (20)
S2637

>  <Name> (20)
Fasiglifam(TAK-875) Hemihydrate

>  <Synonyms> (20)
N/A

>  <Target> (20)
GPR

>  <Form> (20)
Hemihydrate

>  <CAS> (20)
1374598-80-7

>  <URL> (20)
http://selleckchem.com/products/tak-875.html

$$$$
MK-8245.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (21)
549

>  <Formula> (21)
C17H16BrFN6O4

>  <MolWeight> (21)
467.2491432

>  <Cat> (21)
S1158

>  <Name> (21)
MK-8245

>  <Synonyms> (21)
N/A

>  <Target> (21)
SCD

>  <Form> (21)
free base

>  <CAS> (21)
1030612-90-8

>  <URL> (21)
http://selleckchem.com/products/mk-8245.html

$$$$
Naringenin.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (22)
622

>  <Formula> (22)
C15H12O5

>  <MolWeight> (22)
272.25278

>  <Cat> (22)
S2394

>  <Name> (22)
Naringenin

>  <Synonyms> (22)
NSC 34875, S-Dihydrogenistein, NSC 11855, Salipurol

>  <Target> (22)
P450 (e.g. CYP17)

>  <Form> (22)
free base

>  <CAS> (22)
480-41-1

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

$$$$
Roflumilast.cdx
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>  <Mol_ID> (23)
634

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C17H14Cl2F2N2O3

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>  <Name> (23)
Roflumilast (B9302-107)

>  <Synonyms> (23)
APTA 2217, B9302-107, BY 217, BYK 20869

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PDE

>  <Form> (23)
free base

>  <CAS> (23)
162401-32-3

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

$$$$
GSK 1292263.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (24)
642

>  <Formula> (24)
C23H28N4O4S

>  <MolWeight> (24)
456.55782

>  <Cat> (24)
S2149

>  <Name> (24)
GSK1292263

>  <Synonyms> (24)
N/A

>  <Target> (24)
GPR

>  <Form> (24)
free base

>  <CAS> (24)
1032823-75-8

>  <URL> (24)
http://selleckchem.com/products/GSK1292263.html

$$$$
R406.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (25)
667

>  <Formula> (25)
C28H29FN6O8S

>  <MolWeight> (25)
628.6286632

>  <Cat> (25)
S2194

>  <Name> (25)
R406

>  <Synonyms> (25)
N/A

>  <Target> (25)
Apoptosis related,FLT3,Syk

>  <Form> (25)
Besylate

>  <CAS> (25)
841290-81-1

>  <URL> (25)
http://selleckchem.com/products/R406.html

$$$$
Bilobalide.cdx
csChFnd80/04072409502D

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700

>  <Formula> (26)
C15H18O8

>  <MolWeight> (26)
326.29862

>  <Cat> (26)
S2276

>  <Name> (26)
Bilobalide

>  <Synonyms> (26)
N/A

>  <Target> (26)
Others

>  <Form> (26)
free base

>  <CAS> (26)
33570-04-6

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

$$$$
Tolbutamide.cdx
csChFnd80/04072409502D

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 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (27)
721

>  <Formula> (27)
C12H18N2O3S

>  <MolWeight> (27)
270.34792

>  <Cat> (27)
S2443

>  <Name> (27)
Tolbutamide?(HLS 831)

>  <Synonyms> (27)
HLS 831

>  <Target> (27)
Potassium Channel

>  <Form> (27)
free base

>  <CAS> (27)
64-77-7

>  <URL> (27)
http://selleckchem.com/products/tolbutamide.html

$$$$
Kaempferol.cdx
csChFnd80/04072409502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  7 20  2  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (28)
728

>  <Formula> (28)
C15H10O6

>  <MolWeight> (28)
286.2363

>  <Cat> (28)
S2314

>  <Name> (28)
Kaempferol (NSC 407289)

>  <Synonyms> (28)
Robigenin

>  <Target> (28)
Estrogen/progestogen Receptor,Fatty Acid Synthase

>  <Form> (28)
free base

>  <CAS> (28)
520-18-3

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

$$$$
Luteolin.cdx
csChFnd80/04072409502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (29)
732

>  <Formula> (29)
C15H10O6

>  <MolWeight> (29)
286.2363

>  <Cat> (29)
S2320

>  <Name> (29)
Luteolin

>  <Synonyms> (29)
Luteoline, Luteolol, Digitoflavone

>  <Target> (29)
ADC Cytotoxin,PDE

>  <Form> (29)
free base

>  <CAS> (29)
491-70-3

>  <URL> (29)
https://www.selleckchem.com/products/luteolin.html

$$$$
Morin.cdx
csChFnd80/04072409502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.2722    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
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (30)
735

>  <Formula> (30)
C15H12O8

>  <MolWeight> (30)
320.25098

>  <Cat> (30)
S2325

>  <Name> (30)
Morin Hydrate

>  <Synonyms> (30)
Aurantica

>  <Target> (30)
Others

>  <Form> (30)
Hydrate

>  <CAS> (30)
6202-27-3

>  <URL> (30)
https://www.selleckchem.com/products/Morin-hydrate.html

$$$$
Phlorizin.cdx
csChFnd80/04072409502D

 31 33  0  0  0  0  0  0  0  0999 V2000
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3326    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 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 19  1  0  0  0  0
 16 24  1  1  0  0  0
 14 25  1  1  0  0  0
 17 26  1  6  0  0  0
 15 27  1  6  0  0  0
 22 28  1  0  0  0  0
  7 29  2  0  0  0  0
  3 30  1  0  0  0  0
 25 31  1  0  0  0  0
M  END
>  <Mol_ID> (31)
750

>  <Formula> (31)
C21H24O10

>  <MolWeight> (31)
436.40926

>  <Cat> (31)
S2343

>  <Name> (31)
Phlorizin

>  <Synonyms> (31)
Phloridzin

>  <Target> (31)
ATPase,SGLT

>  <Form> (31)
free base

>  <CAS> (31)
60-81-1

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

$$$$
Rutin DAB10.cdx
csChFnd80/04072409502D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   15.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 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
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
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 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (32)
755

>  <Formula> (32)
C27H30O16

>  <MolWeight> (32)
610.5175

>  <Cat> (32)
S2350

>  <Name> (32)
Rutin

>  <Synonyms> (32)
Rutoside

>  <Target> (32)
ADC Cytotoxin,Immunology & Inflammation related

>  <Form> (32)
free base

>  <CAS> (32)
153-18-4

>  <URL> (32)
http://selleckchem.com/products/Rutin(Rutoside).html

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/04072409502D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2167    2.9122    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4333    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.9146    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    3.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.5146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4529    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  3  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (33)
769

>  <Formula> (33)
C7H17ClN2O2

>  <MolWeight> (33)
196.67508

>  <Cat> (33)
S2455

>  <Name> (33)
Bethanechol chloride

>  <Synonyms> (33)
Myocholine,Urecholine

>  <Target> (33)
AChR

>  <Form> (33)
quaternary-N Chloride salt

>  <CAS> (33)
590-63-6

>  <URL> (33)
http://selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

$$$$
nateglinide.cdx
csChFnd80/04072409502D

 23 24  0  0  0  0  0  0  0  0999 V2000
   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  2  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
    8.4660    2.7976    0.0000 C   0  0  1  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
   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
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    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
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 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
  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
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 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 15  1  0  0  0  0
M  END
>  <Mol_ID> (34)
795

>  <Formula> (34)
C19H27NO3

>  <MolWeight> (34)
317.42258

>  <Cat> (34)
S2489

>  <Name> (34)
Nateglinide

>  <Synonyms> (34)
Starlix,A-4166,SDZ DJN 608

>  <Target> (34)
Potassium Channel

>  <Form> (34)
free base

>  <CAS> (34)
105816-04-4

>  <URL> (34)
http://selleckchem.com/products/Nateglinide(Starlix).html

$$$$
Rosiglitazone maleate.cdx
csChFnd80/04072409502D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    8.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    8.0933    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4537    6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    6.4099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5231    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5863    8.6628    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.9106    7.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4169    5.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3999    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1999    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0048    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5951    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 26 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (35)
806

>  <Formula> (35)
C22H23N3O7S

>  <MolWeight> (35)
473.49892

>  <Cat> (35)
S2505

>  <Name> (35)
Rosiglitazone (BRL-49653) maleate

>  <Synonyms> (35)
BRL-49653C

>  <Target> (35)
Autophagy,Ferroptosis,PPAR,TRP Channel

>  <Form> (35)
Maleate

>  <CAS> (35)
155141-29-0

>  <URL> (35)
http://selleckchem.com/products/Rosiglitazone-maleate.html

$$$$
fty720.cdx
csChFnd80/04072409502D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8712    3.0198    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (36)
828

>  <Formula> (36)
C19H34ClNO2

>  <MolWeight> (36)
343.93176

>  <Cat> (36)
S5002

>  <Name> (36)
Fingolimod (FTY720) HCl

>  <Synonyms> (36)
Fingolimod Hydrochloride,FTY720

>  <Target> (36)
S1P Receptor

>  <Form> (36)
Hydrochloride

>  <CAS> (36)
162359-56-0

>  <URL> (36)
http://selleckchem.com/products/FTY720.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/04072409502D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6404    1.4195    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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M  END
>  <Mol_ID> (37)
840

>  <Formula> (37)
C10H16ClN5

>  <MolWeight> (37)
241.72054

>  <Cat> (37)
S2542

>  <Name> (37)
Phenformin (NSC-756501) HCl

>  <Synonyms> (37)
Phenethylbiguanide HCl

>  <Target> (37)
AMPK

>  <Form> (37)
Hydrochloride

>  <CAS> (37)
834-28-6

>  <URL> (37)
http://selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
Rosiglitazone.cdx
csChFnd80/04072409502D

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854

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C18H19N3O3S

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357.42676

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S2556

>  <Name> (38)
Rosiglitazone (BRL 49653)

>  <Synonyms> (38)
BRL 49653

>  <Target> (38)
Autophagy,Ferroptosis,PPAR,TRP Channel

>  <Form> (38)
Free Base

>  <CAS> (38)
122320-73-4

>  <URL> (38)
http://selleckchem.com/products/Rosiglitazone-Avandia.html

$$$$
R7935788.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (39)
863

>  <Formula> (39)
C23H26FN6O9P

>  <MolWeight> (39)
580.4595042

>  <Cat> (39)
S2625

>  <Name> (39)
Fostamatinib (R788)

>  <Synonyms> (39)
N/A

>  <Target> (39)
Syk

>  <Form> (39)
free base

>  <CAS> (39)
901119-35-5

>  <URL> (39)
http://selleckchem.com/products/R7935788-Fostamatinib.html

$$$$
LY2608204.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (40)
873

>  <Formula> (40)
C28H37N3O3S3

>  <MolWeight> (40)
559.80668

>  <Cat> (40)
S2155

>  <Name> (40)
LY2608204

>  <Synonyms> (40)
N/A

>  <Target> (40)
Carbohydrate Metabolism

>  <Form> (40)
free base

>  <CAS> (40)
1234703-40-2

>  <URL> (40)
http://selleckchem.com/products/ly2608204.html

$$$$
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M  END
>  <Mol_ID> (41)
894

>  <Formula> (41)
C21H20O6

>  <MolWeight> (41)
368.3799

>  <Cat> (41)
S1848

>  <Name> (41)
Curcumin

>  <Synonyms> (41)
Diferuloylmethane, Natural Yellow 3, Turmeric yellow

>  <Target> (41)
Apoptosis related,Autophagy,Epigenetic Reader Domain,Ferroptosis,HCV,HDAC,Histone Acetyltransferase,HIV,Influenza Virus,NF-¦ÊB,Nrf2

>  <Form> (41)
free base

>  <CAS> (41)
458-37-7

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

$$$$
CP91149.cdx
csChFnd80/04072409502D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (42)
912

>  <Formula> (42)
C21H22ClN3O3

>  <MolWeight> (42)
399.87068

>  <Cat> (42)
S2717

>  <Name> (42)
CP-91149

>  <Synonyms> (42)
N/A

>  <Target> (42)
Phosphorylase

>  <Form> (42)
free base

>  <CAS> (42)
186392-40-5

>  <URL> (42)
http://selleckchem.com/products/cp-91149.html

$$$$
Linagliptin.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (43)
934

>  <Formula> (43)
C25H28N8O2

>  <MolWeight> (43)
472.54222

>  <Cat> (43)
S3031

>  <Name> (43)
Linagliptin (BI-1356)

>  <Synonyms> (43)
GSK2118436

>  <Target> (43)
Autophagy,Ferroptosis

>  <Form> (43)
free base

>  <CAS> (43)
668270-12-0

>  <URL> (43)
http://selleckchem.com/products/linagliptin-bi-1356.html

$$$$
Miglitol.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (44)
978

>  <Formula> (44)
C8H17NO5

>  <MolWeight> (44)
207.22428

>  <Cat> (44)
S2589

>  <Name> (44)
Miglitol

>  <Synonyms> (44)
BAY-M-1099,Glyset

>  <Target> (44)
Carbohydrate Metabolism

>  <Form> (44)
free base

>  <CAS> (44)
72432-03-2

>  <URL> (44)
http://selleckchem.com/products/miglitol-glyset.html

$$$$
Pioglitazone.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (45)
980

>  <Formula> (45)
C19H20N2O3S

>  <MolWeight> (45)
356.4387

>  <Cat> (45)
S2590

>  <Name> (45)
Pioglitazone (AD-4833)

>  <Synonyms> (45)
U 72107

>  <Target> (45)
PPAR

>  <Form> (45)
Free Base

>  <CAS> (45)
111025-46-8

>  <URL> (45)
https://www.selleckchem.com/products/pioglitazone.html

$$$$
Gliclazide.cdx
csChFnd80/04072409502D

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   13.4057    4.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1268    5.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
M  END
>  <Mol_ID> (46)
991

>  <Formula> (46)
C15H21N3O3S

>  <MolWeight> (46)
323.41054

>  <Cat> (46)
S2601

>  <Name> (46)
Gliclazide

>  <Synonyms> (46)
S1702, SE1702

>  <Target> (46)
Potassium Channel

>  <Form> (46)
free base

>  <CAS> (46)
21187-98-4

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

$$$$
Acarbose.cdx
csChFnd80/04072409502D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8951    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8951    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3158    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3158    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1033    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5240    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    9.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9827    6.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
 10  7  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  6 16  1  1  0  0  0
  2 17  1  1  0  0  0
 18  8  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  6  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  1  0  0  0
 23 28  1  6  0  0  0
 11 29  1  1  0  0  0
 15 30  1  1  0  0  0
 30 31  1  0  0  0  0
 12 32  1  6  0  0  0
 13 33  1  6  0  0  0
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 36 40  1  6  0  0  0
 37 41  1  1  0  0  0
 35 42  1  1  0  0  0
 39 43  1  1  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (47)
1014

>  <Formula> (47)
C25H43NO18

>  <MolWeight> (47)
645.60482

>  <Cat> (47)
S1271

>  <Name> (47)
Acarbose

>  <Synonyms> (47)
BAY g 5421,Prandase, Precose, Glucobay, Bay-g 5421

>  <Target> (47)
Carbohydrate Metabolism

>  <Form> (47)
free base

>  <CAS> (47)
56180-94-0

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

$$$$
Sodium salicylate.cdx
csChFnd80/04072409502D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (48)
1021

>  <Formula> (48)
C7H6NaO3

>  <MolWeight> (48)
161.11051

>  <Cat> (48)
S3137

>  <Name> (48)
Sodium salicylate

>  <Synonyms> (48)
2-Hydroxybenzoic acid Sodium salt,Salicylic acid Sodium salt

>  <Target> (48)
NF-¦ÊB

>  <Form> (48)
sodium salt

>  <CAS> (48)
54-21-7

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

$$$$
Gliquidone.cdx
csChFnd80/04072409502D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   14.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   15.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9212    2.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0213    4.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   17.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 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
 13 22  1  0  0  0  0
 17 22  2  0  0  0  0
 15 23  2  0  0  0  0
 13 24  2  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 27 28  1  0  0  0  0
 20 27  1  0  0  0  0
 12 14  1  0  0  0  0
  4 11  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 31 32  1  0  0  0  0
 29 31  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <Mol_ID> (49)
1029

>  <Formula> (49)
C27H33N3O6S

>  <MolWeight> (49)
527.63242

>  <Cat> (49)
S3151

>  <Name> (49)
Gliquidone

>  <Synonyms> (49)
Glurenorm,AR-DF 26

>  <Target> (49)
Potassium Channel

>  <Form> (49)
free base

>  <CAS> (49)
33342-05-1

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

$$$$
T0070907.cdx
csChFnd80/04072409502D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3000    6.0622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  9 12  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
  6 16  1  0  0  0  0
  3 19  1  0  0  0  0
M  END
>  <Mol_ID> (50)
1071

>  <Formula> (50)
C12H8ClN3O3

>  <MolWeight> (50)
277.66322

>  <Cat> (50)
S2871

>  <Name> (50)
T0070907

>  <Synonyms> (50)
N/A

>  <Target> (50)
DNA-PK,PPAR,RAD51

>  <Form> (50)
free base

>  <CAS> (50)
313516-66-4

>  <URL> (50)
http://selleckchem.com/products/t0070907.html

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/04072409502D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (51)
1185

>  <Formula> (51)
C18H20ClN3O3S

>  <MolWeight> (51)
393.8877

>  <Cat> (51)
S2075

>  <Name> (51)
Rosiglitazone (BRL-49653) HCl

>  <Synonyms> (51)
BRL-49653 HCl

>  <Target> (51)
PPAR

>  <Form> (51)
HCl

>  <CAS> (51)
302543-62-0

>  <URL> (51)
http://selleckchem.com/products/rosiglitazone-hydrochloride.html

$$$$
aicar.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (52)
1238

>  <Formula> (52)
C9H14N4O5

>  <MolWeight> (52)
258.23126

>  <Cat> (52)
S1802

>  <Name> (52)
AICAR (Acadesine)

>  <Synonyms> (52)
NSC105823, AICA Riboside

>  <Target> (52)
AMPK,Mitophagy

>  <Form> (52)
free base

>  <CAS> (52)
2627-69-2

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

$$$$
Chlorpropamide.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (53)
1328

>  <Formula> (53)
C10H13ClN2O3S

>  <MolWeight> (53)
276.73982

>  <Cat> (53)
S4166

>  <Name> (53)
Chlorpropamide

>  <Synonyms> (53)
N/A

>  <Target> (53)
ATPase

>  <Form> (53)
free base

>  <CAS> (53)
94-20-2

>  <URL> (53)
http://selleckchem.com/products/chlorpropamide.html

$$$$
Voglibose.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (54)
1396

>  <Formula> (54)
C10H21NO7

>  <MolWeight> (54)
267.27624

>  <Cat> (54)
S4101

>  <Name> (54)
Voglibose

>  <Synonyms> (54)
AO 128

>  <Target> (54)
Carbohydrate Metabolism

>  <Form> (54)
free base

>  <CAS> (54)
83480-29-9

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

$$$$
WAY 100635 meleate.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (55)
1522

>  <Formula> (55)
C29H38N4O6

>  <MolWeight> (55)
538.63522

>  <Cat> (55)
S2663

>  <Name> (55)
WAY-100635 Maleate

>  <Synonyms> (55)
N/A

>  <Target> (55)
5-HT Receptor

>  <Form> (55)
Maleate

>  <CAS> (55)
1092679-51-0

>  <URL> (55)
http://selleckchem.com/products/way-100635.html

$$$$
S4002.cdx
csChFnd80/04072409502D

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    6.0496    3.8233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8867    6.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    5.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306    4.0882    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2535    5.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4306    6.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8617    7.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5302    8.1129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2943    9.0118    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.1932    7.2477    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5722    1.8983    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.5722    0.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1770    1.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9673    1.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5722    3.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 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
 11 15  1  6  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 24 25  1  0  0  0  0
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 25 27  1  0  0  0  0
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 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (56)
1526

>  <Formula> (56)
C16H20F6N5O6P

>  <MolWeight> (56)
523.3240802

>  <Cat> (56)
S4002

>  <Name> (56)
Sitagliptin phosphate monohydrate

>  <Synonyms> (56)
MK-0431

>  <Target> (56)
DPP

>  <Form> (56)
phosphate &monohydrate

>  <CAS> (56)
654671-77-9

>  <URL> (56)
https://www.selleckchem.com/products/sitagliptin-phosphate-monohydrate.html

$$$$
S4609 Diflunisal.cdx
csChFnd80/04072409502D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    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
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (57)
1614

>  <Formula> (57)
C13H8F2O3

>  <MolWeight> (57)
250.1976264

>  <Cat> (57)
S4609

>  <Name> (57)
Diflunisal

>  <Synonyms> (57)
Dolobid, Dolobis, Flovacil, Fluniget,MK-647

>  <Target> (57)
COX

>  <Form> (57)
free base

>  <CAS> (57)
22494-42-4

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

$$$$
S3720 Elafibranor.cdx
csChFnd80/04072409502D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2468    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 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
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (58)
1794

>  <Formula> (58)
C22H24O4S

>  <MolWeight> (58)
384.48856

>  <Cat> (58)
S3720

>  <Name> (58)
Elafibranor

>  <Synonyms> (58)
GFT505

>  <Target> (58)
PPAR

>  <Form> (58)
free base

>  <CAS> (58)
923978-27-2

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

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/04072409502D

 38 41  0  0  0  0  0  0  0  0999 V2000
    7.3740    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    2.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3740    4.9040    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7061    3.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1539    1.4205    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7061    5.3285    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1362    5.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4960    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    2.8115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9278    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4152    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1660    6.6489    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7077    1.4029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4993    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    4.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5334    6.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2581    7.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4993    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4411    5.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2673    1.4205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8087    6.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2448    7.4505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281    5.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3252    8.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7438    9.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8302   10.8281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   11.7711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8811   11.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7810    9.8848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3976    2.1397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1539    4.1968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9278    2.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 35  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 36  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 37  1  6  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 10  1  1  0  0  0
  8 12  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 16  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  6  0  0  0
 16 21  1  0  0  0  0
 16 38  1  1  0  0  0
 17 22  1  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (59)
1832

>  <Formula> (59)
C26H45NO6S

>  <MolWeight> (59)
499.7036

>  <Cat> (59)
S3654

>  <Name> (59)
Tauroursodeoxycholic Acid (TUDCA)

>  <Synonyms> (59)
N/A

>  <Target> (59)
Mitochondrial Metabolism

>  <Form> (59)
free base

>  <CAS> (59)
14605-22-2

>  <URL> (59)
http://selleckchem.com/products/tauroursodeoxycholic-acid.html

$$$$
S3839 1-Deoxynojirimycin.cdx
csChFnd80/04072409502D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1100    3.6488    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    2.4422    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5066    3.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100    4.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900    1.2240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1999    2.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0135    4.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4899    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3900    0.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  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  1  0  0  0
  7  9  1  0  0  0  0
  9 11  1  6  0  0  0
M  END
>  <Mol_ID> (60)
1844

>  <Formula> (60)
C6H13NO4

>  <MolWeight> (60)
163.17172

>  <Cat> (60)
S3839

>  <Name> (60)
1-Deoxynojirimycin

>  <Synonyms> (60)
duvoglustat, moranolin

>  <Target> (60)
Carbohydrate Metabolism

>  <Form> (60)
free base

>  <CAS> (60)
19130-96-2

>  <URL> (60)
http://selleckchem.com/products/1-deoxynojirimycin.html

$$$$
S3833 Amentoflavone.cdx
csChFnd80/04072409502D

 40 45  0  0  0  0  0  0  0  0999 V2000
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
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  1 13  1  0  0  0  0
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 15 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 14 20  2  0  0  0  0
 21 22  2  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 25 32  2  0  0  0  0
 32 33  1  0  0  0  0
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 39 40  1  0  0  0  0
 34 40  2  0  0  0  0
 16 31  1  0  0  0  0
M  END
>  <Mol_ID> (61)
1858

>  <Formula> (61)
C30H18O10

>  <MolWeight> (61)
538.45792

>  <Cat> (61)
S3833

>  <Name> (61)
Amentoflavone

>  <Synonyms> (61)
Didemethyl Ginkgetin

>  <Target> (61)
P450 (e.g. CYP17)

>  <Form> (61)
free base

>  <CAS> (61)
1617-53-4

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

$$$$
S3834 Astaxanthin.cdx
csChFnd80/04072409502D

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 44  1  6  0  0  0
M  END
>  <Mol_ID> (62)
1859

>  <Formula> (62)
C40H52O4

>  <MolWeight> (62)
596.83848

>  <Cat> (62)
S3834

>  <Name> (62)
Astaxanthin

>  <Synonyms> (62)
¦Â-Carotene-4,4'-dione, Trans-Astaxanthin

>  <Target> (62)
PPAR

>  <Form> (62)
free base

>  <CAS> (62)
472-61-7

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

$$$$
S3835 Loganin.cdx
csChFnd80/04072409502D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.2655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5183    6.8329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    9.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    9.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    7.9655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    8.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 27  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
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  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
 12  7  1  1  0  0  0
  8 10  1  0  0  0  0
  9 13  1  1  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
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M  END
>  <Mol_ID> (63)
1860

>  <Formula> (63)
C17H26O10

>  <MolWeight> (63)
390.38234

>  <Cat> (63)
S3835

>  <Name> (63)
Loganin

>  <Synonyms> (63)
Loganoside

>  <Target> (63)
AChR,BACE,BChE

>  <Form> (63)
free base

>  <CAS> (63)
18524-94-2

>  <URL> (63)
http://selleckchem.com/products/loganin.html

$$$$
S3764 Isoferulic Acid.cdx
csChFnd80/04072409502D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8451    3.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (64)
1879

>  <Formula> (64)
C10H10O4

>  <MolWeight> (64)
194.184

>  <Cat> (64)
S3764

>  <Name> (64)
Isoferulic Acid

>  <Synonyms> (64)
Hesperetic acid, Hesperetate, Isoferulate

>  <Target> (64)
Adrenergic Receptor

>  <Form> (64)
free base

>  <CAS> (64)
537-73-5

>  <URL> (64)
http://selleckchem.com/products/isoferulic-acid.html

$$$$
S3782 Neomangiferin.cdx
csChFnd80/04072409502D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.4727    0.6968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (65)
1881

>  <Formula> (65)
C25H28O16

>  <MolWeight> (65)
584.48022

>  <Cat> (65)
S3782

>  <Name> (65)
Neomangiferin

>  <Synonyms> (65)
Mangiferin 7-glucoside

>  <Target> (65)
Others

>  <Form> (65)
free base

>  <CAS> (65)
64809-67-2

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

$$$$
S3808 Mangiferin.cdx
csChFnd80/04072409502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (66)
1927

>  <Formula> (66)
C19H18O11

>  <MolWeight> (66)
422.33962

>  <Cat> (66)
S3808

>  <Name> (66)
Mangiferin

>  <Synonyms> (66)
Alpizarin, Chinomin, Hedysarid

>  <Target> (66)
NF-¦ÊB,Nrf2

>  <Form> (66)
free base

>  <CAS> (66)
4773-96-0

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

$$$$
S3927 Swertiamarin.cdx
csChFnd80/04072409502D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 18  2  1  0  0  0  0
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 11  6  1  0  0  0  0
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 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
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 16 12  1  0  0  0  0
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M  END
>  <Mol_ID> (67)
1951

>  <Formula> (67)
C16H22O10

>  <MolWeight> (67)
374.33988

>  <Cat> (67)
S3927

>  <Name> (67)
Swertiamarin

>  <Synonyms> (67)
Swertiamaroside

>  <Target> (67)
Others

>  <Form> (67)
free base

>  <CAS> (67)
17388-39-5

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

$$$$
S3905 Iso-Steviol.cdx
csChFnd80/04072409502D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (68)
2044

>  <Formula> (68)
C20H30O3

>  <MolWeight> (68)
318.4504

>  <Cat> (68)
S3905

>  <Name> (68)
Iso-Steviol

>  <Synonyms> (68)
N/A

>  <Target> (68)
Others

>  <Form> (68)
free base

>  <CAS> (68)
27975-19-5

>  <URL> (68)
http://selleckchem.com/products/iso-steviol.html

$$$$
S4819 Saccharin.cdx
csChFnd80/04072409502D

 12 13  0  0  0  0  0  0  0  0999 V2000
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2164

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C7H5NO3S

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Saccharin

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Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

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free base

>  <CAS> (69)
81-07-2

>  <URL> (69)
http://selleckchem.com/products/saccharin.html

$$$$
Inulin.cdx
csChFnd80/04072409502D

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?n?
M  END
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2259

>  <Formula> (70)
C12H22O11R

>  <MolWeight> (70)
342.29648

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S2609

>  <Name> (70)
Inulin

>  <Synonyms> (70)
N/A

>  <Target> (70)
Others

>  <Form> (70)
Free Base

>  <CAS> (70)
9005-80-5

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

$$$$
GW 9508.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (71)
2272

>  <Formula> (71)
C22H21NO3

>  <MolWeight> (71)
347.40704

>  <Cat> (71)
S8014

>  <Name> (71)
GW9508

>  <Synonyms> (71)
N/A

>  <Target> (71)
GPR

>  <Form> (71)
free base

>  <CAS> (71)
885101-89-3

>  <URL> (71)
http://selleckchem.com/products/gw9508.html

$$$$
GW 0742.cdx
csChFnd80/04072409502D

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2275

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C21H17F4NO3S2

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GW0742

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N/A

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PPAR

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free base

>  <CAS> (72)
317318-84-6

>  <URL> (72)
http://selleckchem.com/products/gw0742.html

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/04072409502D

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>  <Synonyms> (73)
N/A

>  <Target> (73)
SGLT

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free base

>  <CAS> (73)
864070-44-0

>  <URL> (73)
http://selleckchem.com/products/empagliflozin-bi10773.html

$$$$
Zebularine.cdx
csChFnd80/04072409502D

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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (74)
2310

>  <Formula> (74)
C9H12N2O5

>  <MolWeight> (74)
228.20198

>  <Cat> (74)
S7113

>  <Name> (74)
Zebularine (NSC 309132)

>  <Synonyms> (74)
4-Deoxyuridine

>  <Target> (74)
DNA Methyltransferase

>  <Form> (74)
free base

>  <CAS> (74)
3690-10-6

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

$$$$
GSK3787.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (75)
2311

>  <Formula> (75)
C15H12ClF3N2O3S

>  <MolWeight> (75)
392.7805896

>  <Cat> (75)
S8025

>  <Name> (75)
GSK3787

>  <Synonyms> (75)
N/A

>  <Target> (75)
PPAR

>  <Form> (75)
free base

>  <CAS> (75)
188591-46-0

>  <URL> (75)
http://selleckchem.com/products/gsk3787.html

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (76)
2360

>  <Formula> (76)
C10H13NO4

>  <MolWeight> (76)
211.21452

>  <Cat> (76)
S1642

>  <Name> (76)
Methyldopa

>  <Synonyms> (76)
N/A

>  <Target> (76)
5-HT Receptor,Adrenergic Receptor,Decarboxylase,Dopamine Receptor

>  <Form> (76)
free base

>  <CAS> (76)
555-30-6

>  <URL> (76)
http://selleckchem.com/products/Methyldopa(Aldomet).html

$$$$
R 788.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (77)
2375

>  <Formula> (77)
C23H24FN6Na2O9P

>  <MolWeight> (77)
624.4231642

>  <Cat> (77)
S2206

>  <Name> (77)
Fostamatinib (R788) disodium

>  <Synonyms> (77)
Tamatinib Fosdium

>  <Target> (77)
Syk

>  <Form> (77)
Sodium Salt

>  <CAS> (77)
1025687-58-4

>  <URL> (77)
http://selleckchem.com/products/R788(Fostamatinib-disodium).html

$$$$
S3763 Cinnamaldehyde.cdx
csChFnd80/04072409502D

 11 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (78)
2511

>  <Formula> (78)
C9H8O

>  <MolWeight> (78)
132.15922

>  <Cat> (78)
S3763

>  <Name> (78)
Cinnamaldehyde

>  <Synonyms> (78)
N/A

>  <Target> (78)
TRP Channel

>  <Form> (78)
free base

>  <CAS> (78)
14371-10-9

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

$$$$
S3752 isoleucine.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (79)
2520

>  <Formula> (79)
C6H13NO2

>  <MolWeight> (79)
131.17292

>  <Cat> (79)
S3752

>  <Name> (79)
isoleucine

>  <Synonyms> (79)
Ile

>  <Target> (79)
Others

>  <Form> (79)
free base

>  <CAS> (79)
73-32-5

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

$$$$
S3753 L-Leucine.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (80)
2521

>  <Formula> (80)
C6H13NO2

>  <MolWeight> (80)
131.17292

>  <Cat> (80)
S3753

>  <Name> (80)
L-Leucine

>  <Synonyms> (80)
(S)-Leucine, Leu

>  <Target> (80)
mTOR

>  <Form> (80)
free base

>  <CAS> (80)
61-90-5

>  <URL> (80)
http://selleckchem.com/products/l-leucine.html

$$$$
S5105 Proanthocyanidins.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (81)
2526

>  <Formula> (81)
C30H26O13

>  <MolWeight> (81)
594.51964

>  <Cat> (81)
S5105

>  <Name> (81)
Proanthocyanidins

>  <Synonyms> (81)
condensed tannins

>  <Target> (81)
Bacterial

>  <Form> (81)
free base

>  <CAS> (81)
20347-71-1

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

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/04072409502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
2643

>  <Formula> (82)
C20H22N2O5

>  <MolWeight> (82)
370.39908

>  <Cat> (82)
S7295

>  <Name> (82)
Apabetalone (RVX-208)

>  <Synonyms> (82)
RVX-000222

>  <Target> (82)
Epigenetic Reader Domain

>  <Form> (82)
free base

>  <CAS> (82)
1044870-39-4

>  <URL> (82)
http://selleckchem.com/products/rvx-208.html

$$$$
AdipoRon.cdx
csChFnd80/04072409502D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (83)
2684

>  <Formula> (83)
C27H28N2O3

>  <MolWeight> (83)
428.52282

>  <Cat> (83)
S7365

>  <Name> (83)
AdipoRon

>  <Synonyms> (83)
SC-396658

>  <Target> (83)
AdipoR

>  <Form> (83)
free base

>  <CAS> (83)
924416-43-3

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

$$$$
VGX-1027.cdx
csChFnd80/04072409502D

 15 16  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (84)
2712

>  <Formula> (84)
C11H11NO3

>  <MolWeight> (84)
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>  <Cat> (84)
S7515

>  <Name> (84)
VGX-1027

>  <Synonyms> (84)
GIT 27

>  <Target> (84)
Immunology & Inflammation related

>  <Form> (84)
free base

>  <CAS> (84)
6501-72-0

>  <URL> (84)
http://selleckchem.com/products/vgx-1027.html

$$$$
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free base

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252017-04-2

>  <URL> (85)
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Serine Protease

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free base

>  <CAS> (86)
848141-11-7

>  <URL> (86)
http://selleckchem.com/products/avelestat-azd9668.html

$$$$
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Acyltransferase,Transferase

>  <Form> (87)
free base

>  <CAS> (87)
1109276-89-2

>  <URL> (87)
http://selleckchem.com/products/pf-04620110.html

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 41 39  1  0  0  0  0
M  END
>  <Mol_ID> (88)
2834

>  <Formula> (88)
C29H31F3N6O3

>  <MolWeight> (88)
568.5900496

>  <Cat> (88)
S7442

>  <Name> (88)
WS6

>  <Synonyms> (88)
N/A

>  <Target> (88)
I¦ÊB/IKK

>  <Form> (88)
free base

>  <CAS> (88)
1421227-53-3

>  <URL> (88)
http://selleckchem.com/products/ws6.html

$$$$
Obeticholic acid.cdx
csChFnd80/04072409502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  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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   13.6511    6.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 12  1  0  0  0  0
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M  END
>  <Mol_ID> (89)
2861

>  <Formula> (89)
C26H44O4

>  <MolWeight> (89)
420.62516

>  <Cat> (89)
S7660

>  <Name> (89)
Obeticholic Acid

>  <Synonyms> (89)
INT-747, 6-ECDCA, 6-Ethylchenodeoxycholic acid

>  <Target> (89)
Autophagy,FXR

>  <Form> (89)
free base

>  <CAS> (89)
459789-99-2

>  <URL> (89)
http://selleckchem.com/products/obeticholic-acid.html

$$$$
Hydroxychloroquine sulfate.cdx
csChFnd80/04072409502D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (90)
2863

>  <Formula> (90)
C18H28ClN3O5S

>  <MolWeight> (90)
433.95002

>  <Cat> (90)
S4430

>  <Name> (90)
Hydroxychloroquine Sulfate (NSC 4375)

>  <Synonyms> (90)
HCQ

>  <Target> (90)
Anti-infection,Autophagy,COVID-19,TLR

>  <Form> (90)
Sulfate

>  <CAS> (90)
747-36-4

>  <URL> (90)
http://selleckchem.com/products/hydroxychloroquine-sulfate.html

$$$$
Piperlongumine.cdx
csChFnd80/04072409502D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 21 22  1  0  0  0  0
  8 23  2  0  0  0  0
M  END
>  <Mol_ID> (91)
2885

>  <Formula> (91)
C17H19NO5

>  <MolWeight> (91)
317.33646

>  <Cat> (91)
S7551

>  <Name> (91)
Piperlongumine

>  <Synonyms> (91)
PPLGM, Piplartine

>  <Target> (91)
CRM1,ROS

>  <Form> (91)
free base

>  <CAS> (91)
20069-09-4

>  <URL> (91)
http://selleckchem.com/products/piperlongumine.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/04072409502D

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.4891   11.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1887    9.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   11.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8342   13.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   13.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (92)
2949

>  <Formula> (92)
C26H24N6O2S2

>  <MolWeight> (92)
516.63776

>  <Cat> (92)
S7792

>  <Name> (92)
SRT2104 (GSK2245840)

>  <Synonyms> (92)
N/A

>  <Target> (92)
Sirtuin

>  <Form> (92)
free base

>  <CAS> (92)
1093403-33-8

>  <URL> (92)
http://selleckchem.com/products/srt2104-gsk2245840.html

$$$$
Sotagliflozin (LX4211).cdx
csChFnd80/04072409502D

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>  <Mol_ID> (93)
3009

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C21H25ClO5S

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>  <Name> (93)
Sotagliflozin (LX4211)

>  <Synonyms> (93)
LP-802034

>  <Target> (93)
SGLT

>  <Form> (93)
free base

>  <CAS> (93)
1018899-04-1

>  <URL> (93)
http://selleckchem.com/products/sotagliflozin-lx4211.html

$$$$
BI-78D3.cdx
csChFnd80/04072409502D

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3115

>  <Formula> (94)
C13H9N5O5S2

>  <MolWeight> (94)
379.37106

>  <Cat> (94)
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>  <Name> (94)
BI-78D3

>  <Synonyms> (94)
N/A

>  <Target> (94)
JNK

>  <Form> (94)
free base

>  <CAS> (94)
883065-90-5

>  <URL> (94)
http://selleckchem.com/products/bi-78d3.html

$$$$
Eprodisate (disodium).cdx
csChFnd80/04072409502D

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>  <Mol_ID> (95)
3120

>  <Formula> (95)
C3H6Na2O6S2

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248.18568

>  <Cat> (95)
S4567

>  <Name> (95)
Eprodisate disodium

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NC-503

>  <Target> (95)
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sodium

>  <CAS> (95)
36589-58-9

>  <URL> (95)
http://selleckchem.com/products/eprodisate-disodium.html

$$$$
Tyloxapol.cdx
csChFnd80/04072409502D

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 57 60  1  0  0  0  0
A   61
m
A   62
m
A   63
m
A   64
n
A   65
m=6-8;n<=5
M  END
>  <Mol_ID> (96)
3127

>  <Formula> (96)
C51H80O6R5

>  <MolWeight> (96)
789.1773

>  <Cat> (96)
S4578

>  <Name> (96)
Tyloxapol

>  <Synonyms> (96)
Triton WR1339

>  <Target> (96)
Others

>  <Form> (96)
free base

>  <CAS> (96)
25301-02-4

>  <URL> (96)
http://selleckchem.com/products/tyloxapol.html

$$$$
MLR-1023.cdx
csChFnd80/04072409502D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <Mol_ID> (97)
3167

>  <Formula> (97)
C11H10N2O2

>  <MolWeight> (97)
202.2093

>  <Cat> (97)
S8321

>  <Name> (97)
MLR-1023

>  <Synonyms> (97)
Tolimidone, CP-26154

>  <Target> (97)
Src

>  <Form> (97)
free base

>  <CAS> (97)
41964-07-2

>  <URL> (97)
http://selleckchem.com/products/mlr-1023.html

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/04072409502D

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (98)
3211

>  <Formula> (98)
C4H9NO2

>  <MolWeight> (98)
103.11976

>  <Cat> (98)
S4700

>  <Name> (98)
4-Aminobutyric acid (GABA)

>  <Synonyms> (98)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (98)
GABA Receptor

>  <Form> (98)
free base

>  <CAS> (98)
56-12-2

>  <URL> (98)
http://selleckchem.com/products/4-aminobutyric-acid.html

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/04072409502D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (99)
3216

>  <Formula> (99)
C15H14O6

>  <MolWeight> (99)
290.26806

>  <Cat> (99)
S3974

>  <Name> (99)
(+)-Catechin hydrate

>  <Synonyms> (99)
N/A

>  <Target> (99)
COX

>  <Form> (99)
hydrate

>  <CAS> (99)
225937-10-0

>  <URL> (99)
http://selleckchem.com/products/catechin-hydrate.html

$$$$
BGP-15.cdx
csChFnd80/04072409502D

 22 21  0  0  0  0  0  0  0  0999 V2000
    8.2476    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2476    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6725    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8849    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8849    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0973    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3098    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5222    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7347    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.7347    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9471    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1595    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3720    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5844    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5844    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3720    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1595    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   24.1496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.1496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (100)
3242

>  <Formula> (100)
C14H24Cl2N4O2

>  <MolWeight> (100)
351.27196

>  <Cat> (100)
S8370

>  <Name> (100)
BGP-15 2HCl

>  <Synonyms> (100)
N/A

>  <Target> (100)
PARP

>  <Form> (100)
dihydrochloride

>  <CAS> (100)
66611-37-8

>  <URL> (100)
http://selleckchem.com/products/bgp-15.html

$$$$
Etomoxir (Na salt).cdx
csChFnd80/04072409502D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.3725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.0725    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.8580    2.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 15 14  1  6  0  0  0
 15 16  1  0  0  0  0
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 17 15  1  0  0  0  0
 15 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (101)
3253

>  <Formula> (101)
C15H18ClNaO4

>  <MolWeight> (101)
320.74379

>  <Cat> (101)
S8244

>  <Name> (101)
Etomoxir sodium salt

>  <Synonyms> (101)
(R)-(+)-Etomoxir sodium salt

>  <Target> (101)
Apoptosis related,CPT,Transferase

>  <Form> (101)
sodium salt

>  <CAS> (101)
828934-41-4

>  <URL> (101)
http://selleckchem.com/products/etomoxir-na-salt.html

$$$$
SRT2183.cdx
csChFnd80/04072409502D

 34 39  0  0  0  0  0  0  0  0999 V2000
    8.1864   12.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864   12.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864   13.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1864    9.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (102)
3270

>  <Formula> (102)
C27H24N4O2S

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>  <Cat> (102)
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SRT2183

>  <Synonyms> (102)
N/A

>  <Target> (102)
Sirtuin

>  <Form> (102)
free base

>  <CAS> (102)
1001908-89-9

>  <URL> (102)
http://selleckchem.com/products/srt2183.html

$$$$
JTE-013.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (103)
3303

>  <Formula> (103)
C17H19Cl2N7O

>  <MolWeight> (103)
408.28506

>  <Cat> (103)
S7182

>  <Name> (103)
JTE 013

>  <Synonyms> (103)
N/A

>  <Target> (103)
S1P Receptor

>  <Form> (103)
free base

>  <CAS> (103)
383150-41-2

>  <URL> (103)
http://selleckchem.com/products/jte-013.html

$$$$
Troglitazone (CS-045).cdx
csChFnd80/04072409502D

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>  <Mol_ID> (104)
3334

>  <Formula> (104)
C24H27NO5S

>  <MolWeight> (104)
441.53988

>  <Cat> (104)
S8432

>  <Name> (104)
Troglitazone (CS-045)

>  <Synonyms> (104)
Rezulin, Romglizone, Prelay, Romozin

>  <Target> (104)
Apoptosis related,Autophagy,Ferroptosis,PPAR

>  <Form> (104)
free base

>  <CAS> (104)
97322-87-7

>  <URL> (104)
http://selleckchem.com/products/troglitazone-cs-045.html

$$$$
SRT3025.cdx
csChFnd80/04072409502D

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>  <Mol_ID> (105)
3338

>  <Formula> (105)
C31H32ClN5O2S2

>  <MolWeight> (105)
606.20108

>  <Cat> (105)
S8481

>  <Name> (105)
SRT3025 HCl

>  <Synonyms> (105)
N/A

>  <Target> (105)
Sirtuin

>  <Form> (105)
hydrochloride

>  <CAS> (105)
2070015-26-6

>  <URL> (105)
http://selleckchem.com/products/srt3025.html

$$$$
Omarigliptin (MK-3102).cdx
csChFnd80/04072409502D

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3363

>  <Formula> (106)
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Omarigliptin (MK-3102)

>  <Synonyms> (106)
N/A

>  <Target> (106)
DPP

>  <Form> (106)
free base

>  <CAS> (106)
1226781-44-7

>  <URL> (106)
http://selleckchem.com/products/omarigliptin-mk-3102.html

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/04072409502D

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>  <Mol_ID> (107)
3386

>  <Formula> (107)
C22H28O7

>  <MolWeight> (107)
404.45352

>  <Cat> (107)
S8558

>  <Name> (107)
Tofogliflozin(CSG 452)

>  <Synonyms> (107)
N/A

>  <Target> (107)
SGLT

>  <Form> (107)
hydrate

>  <CAS> (107)
1201913-82-7

>  <URL> (107)
http://selleckchem.com/products/tofogliflozin-csg-452.html

$$$$
Ipragliflozin(ASP1941).cdx
csChFnd80/04072409502D

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>  <Mol_ID> (108)
3404

>  <Formula> (108)
C21H21FO5S

>  <MolWeight> (108)
404.4518432

>  <Cat> (108)
S8637

>  <Name> (108)
Ipragliflozin (ASP1941)

>  <Synonyms> (108)
N/A

>  <Target> (108)
SGLT

>  <Form> (108)
free base

>  <CAS> (108)
761423-87-4

>  <URL> (108)
http://selleckchem.com/products/ipragliflozin-asp-1941.html

$$$$
ACY-738.cdx
csChFnd80/04072409502D

 20 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (109)
3432

>  <Formula> (109)
C14H14N4O2

>  <MolWeight> (109)
270.28656

>  <Cat> (109)
S8648

>  <Name> (109)
ACY-738

>  <Synonyms> (109)
N/A

>  <Target> (109)
HDAC

>  <Form> (109)
free base

>  <CAS> (109)
1375465-91-0

>  <URL> (109)
http://selleckchem.com/products/acy-738.html

$$$$
S5157 Thymol.cdx
csChFnd80/04072409502D

 11 11  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (110)
3468

>  <Formula> (110)
C10H14O

>  <MolWeight> (110)
150.21756

>  <Cat> (110)
S5157

>  <Name> (110)
Thymol

>  <Synonyms> (110)
2-isopropyl-5-methylphenol, IPMP

>  <Target> (110)
Immunology & Inflammation related

>  <Form> (110)
free base

>  <CAS> (110)
89-83-8

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

$$$$
S5130 Taurocholic acid sodium salt hydrate.cdx
csChFnd80/04072409502D

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A   40
?xH2O?
M  END
>  <Mol_ID> (111)
3475

>  <Formula> (111)
C26H44NNaO7RS

>  <MolWeight> (111)
537.68483

>  <Cat> (111)
S5130

>  <Name> (111)
Taurocholic acid sodium salt hydrate

>  <Synonyms> (111)
Sodium taurocholate hydrate

>  <Target> (111)
Others

>  <Form> (111)
sodium salt, hydrate

>  <CAS> (111)
345909-26-4

>  <URL> (111)
http://selleckchem.com/products/taurocholic-acid-sodium-salt-hydrate.html

$$$$
S4930 Cetilistat.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (112)
3523

>  <Formula> (112)
C25H39NO3

>  <MolWeight> (112)
401.58206

>  <Cat> (112)
S4930

>  <Name> (112)
Cetilistat

>  <Synonyms> (112)
ATL962

>  <Target> (112)
Lipase

>  <Form> (112)
free base

>  <CAS> (112)
282526-98-1

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

$$$$
SR-18292.cdx
csChFnd80/04072409502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (113)
3557

>  <Formula> (113)
C23H30N2O2

>  <MolWeight> (113)
366.4965

>  <Cat> (113)
S8528

>  <Name> (113)
SR-18292

>  <Synonyms> (113)
N/A

>  <Target> (113)
PGC-1¦Á

>  <Form> (113)
free base

>  <CAS> (113)
2095432-55-4

>  <URL> (113)
http://selleckchem.com/products/sr-18292.html

$$$$
S5079 Sitagliptin.cdx
csChFnd80/04072409502D

 28 30  0  0  0  0  0  0  0  0999 V2000
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 12  2  1  0  0  0  0
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 22  6  1  0  0  0  0
 23  6  1  0  0  0  0
 24  6  1  0  0  0  0
  7 18  1  0  0  0  0
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 10  8  1  0  0  0  0
 20  8  2  0  0  0  0
 21 10  1  0  0  0  0
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 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> (114)
3568

>  <Formula> (114)
C16H15F6N5O

>  <MolWeight> (114)
407.3136192

>  <Cat> (114)
S5079

>  <Name> (114)
Sitagliptin

>  <Synonyms> (114)
MK-0431

>  <Target> (114)
DPP

>  <Form> (114)
free base

>  <CAS> (114)
486460-32-6

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

$$$$
S5249 Coptisine chloride.cdx
csChFnd80/04072409502D

 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
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M  END
>  <Mol_ID> (115)
3576

>  <Formula> (115)
C19H14ClNO4

>  <MolWeight> (115)
355.77176

>  <Cat> (115)
S5249

>  <Name> (115)
Coptisine chloride

>  <Synonyms> (115)
Q-100696, NSC-119754

>  <Target> (115)
IDO/TDO

>  <Form> (115)
chloride

>  <CAS> (115)
6020-18-4

>  <URL> (115)
http://selleckchem.com/products/coptisine-chloride.html

$$$$
kira6.cdx
csChFnd80/04072409502D

 38 42  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (116)
3581

>  <Formula> (116)
C28H25F3N6O

>  <MolWeight> (116)
518.5329096

>  <Cat> (116)
S8658

>  <Name> (116)
kira6

>  <Synonyms> (116)
N/A

>  <Target> (116)
IRE1

>  <CAS> (116)
1589527-65-0

>  <URL> (116)
http://selleckchem.com/products/kira6.html

$$$$
S5566 Dapagliflozin propanediol monohydrate.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (117)
3878

>  <Formula> (117)
C24H35ClO9

>  <MolWeight> (117)
502.9823

>  <Cat> (117)
S5566

>  <Name> (117)
Dapagliflozin propanediol monohydrate

>  <Synonyms> (117)
N/A

>  <Target> (117)
SGLT

>  <Form> (117)
monohydrate

>  <CAS> (117)
960404-48-2

>  <URL> (117)
http://selleckchem.com/products/dapagliflozin-propanediol-monohydrate.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/04072409502D

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M  END
>  <Mol_ID> (118)
3913

>  <Formula> (118)
C20H18O6

>  <MolWeight> (118)
354.35332

>  <Cat> (118)
S3934

>  <Name> (118)
Acetyl Resveratrol

>  <Synonyms> (118)
N/A

>  <Target> (118)
Others

>  <Form> (118)
free base

>  <CAS> (118)
42206-94-0

>  <URL> (118)
https://www.selleckchem.com/products/acetyl-resveratrol.html

$$$$
S5413 Ertugliflozin.cdx
csChFnd80/04072409502D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
3946

>  <Formula> (119)
C22H25ClO7

>  <MolWeight> (119)
436.8827

>  <Cat> (119)
S5413

>  <Name> (119)
Ertugliflozin

>  <Synonyms> (119)
MK-8835, PF-04971729

>  <Target> (119)
SGLT

>  <Form> (119)
free base

>  <CAS> (119)
1210344-57-2

>  <URL> (119)
https://www.selleckchem.com/products/ertugliflozin.html

$$$$
S5620 NSI-189.cdx
csChFnd80/04072409502D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10 15  2  0  0  0  0
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 16 17  1  0  0  0  0
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M  END
>  <Mol_ID> (120)
3969

>  <Formula> (120)
C22H30N4O

>  <MolWeight> (120)
366.4998

>  <Cat> (120)
S5620

>  <Name> (120)
NSI-189

>  <Synonyms> (120)
N/A

>  <Target> (120)
Others

>  <Form> (120)
free base

>  <CAS> (120)
1270138-40-3

>  <URL> (120)
http://selleckchem.com/products/nsi-189.html

$$$$
S9343 Sequoyitol.cdx
csChFnd80/04072409502D

 13 13  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (121)
4001

>  <Formula> (121)
C7H14O6

>  <MolWeight> (121)
194.18246

>  <Cat> (121)
S9343

>  <Name> (121)
Sequoyitol

>  <Target> (121)
Others

>  <Form> (121)
free base

>  <CAS> (121)
523-92-2

>  <URL> (121)
https://www.selleckchem.com/products/sequoyitol.html

$$$$

csChFnd80/04072409502D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (122)
4166

>  <Formula> (122)
C19H15ClN2O4S2

>  <MolWeight> (122)
434.9164

>  <Cat> (122)
S8770

>  <Name> (122)
Lanifibranor (IVA-337)

>  <Synonyms> (122)
N/A

>  <Target> (122)
PPAR

>  <Form> (122)
Free Base

>  <CAS> (122)
927961-18-0

>  <URL> (122)
http://www.selleckchem.com/products/lanifibranor-iva-337.html

$$$$
S9072 Sweroside.cdx
csChFnd80/04072409502D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  2  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
    8.4870    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2123    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9118    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  1  1  0  0  0  0
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  3  2  1  0  0  0  0
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  3 18  1  6  0  0  0
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 12  5  1  0  0  0  0
  6 14  1  0  0  0  0
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  6 13  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 23  8  1  0  0  0  0
  8 26  1  1  0  0  0
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 15 11  1  0  0  0  0
 17 11  2  0  0  0  0
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M  END
>  <Mol_ID> (123)
4209

>  <Formula> (123)
C16H22O9

>  <MolWeight> (123)
358.34048

>  <Cat> (123)
S9072

>  <Name> (123)
Sweroside

>  <Synonyms> (123)
FS73846

>  <Target> (123)
Fungal,Immunology & Inflammation related

>  <Form> (123)
free base

>  <CAS> (123)
14215-86-2

>  <URL> (123)
https://www.selleckchem.com/products/sweroside.html

$$$$
S9110 Morin.cdx
csChFnd80/04072409502D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (124)
4243

>  <Formula> (124)
C15H10O7

>  <MolWeight> (124)
302.2357

>  <Cat> (124)
S9110

>  <Name> (124)
Morin

>  <Synonyms> (124)
Al-Morin, Aurantica, Calico Yellow, Toxylon pomiferum

>  <Target> (124)
Others

>  <Form> (124)
free base

>  <CAS> (124)
480-16-0

>  <URL> (124)
https://www.selleckchem.com/products/morin.html

$$$$
S9133 Chicoric acid.cdx
csChFnd80/04072409502D

 34 35  0  0  0  0  0  0  0  0999 V2000
   10.9119    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (125)
4261

>  <Formula> (125)
C22H18O12

>  <MolWeight> (125)
474.37112

>  <Cat> (125)
S9133

>  <Name> (125)
Chicoric acid

>  <Synonyms> (125)
Dicaffeoyltartaric acid

>  <Target> (125)
Others

>  <Form> (125)
free base

>  <CAS> (125)
70831-56-0

>  <URL> (125)
https://www.selleckchem.com/products/chicoric-acid.html

$$$$
S9170 Engeletin.cdx
csChFnd80/04072409502D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (126)
4289

>  <Formula> (126)
C21H22O10

>  <MolWeight> (126)
434.39338

>  <Cat> (126)
S9170

>  <Name> (126)
Engeletin

>  <Synonyms> (126)
Dihydrokaempferol 3-rhamnoside

>  <Target> (126)
NF-¦ÊB

>  <Form> (126)
free base

>  <CAS> (126)
572-31-6

>  <URL> (126)
https://www.selleckchem.com/products/engeletin.html

$$$$
S9277 Alisol A.cdx
csChFnd80/04072409502D

 37 40  0  0  0  0  0  0  0  0999 V2000
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 11  2  1  0  0  0  0
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 12  3  1  0  0  0  0
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 13  4  1  0  0  0  0
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 15  6  1  0  0  0  0
 16  6  1  0  0  0  0
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 31  8  1  0  0  0  0
 32  8  1  0  0  0  0
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 10  9  1  0  0  0  0
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 18 11  1  0  0  0  0
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 22 13  1  0  0  0  0
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M  END
>  <Mol_ID> (127)
4368

>  <Formula> (127)
C30H50O5

>  <MolWeight> (127)
490.715

>  <Cat> (127)
S9277

>  <Name> (127)
Alisol A

>  <Target> (127)
Others

>  <Form> (127)
free base

>  <CAS> (127)
19885-10-0

>  <URL> (127)
https://www.selleckchem.com/products/alisol-a.html

$$$$
S5387 D-Tagatose.cdx
csChFnd80/04072409502D

 12 11  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (128)
4463

>  <Formula> (128)
C6H12O6

>  <MolWeight> (128)
180.15588

>  <Cat> (128)
S5387

>  <Name> (128)
D-Tagatose

>  <Target> (128)
Others

>  <Form> (128)
free base

>  <CAS> (128)
87-81-0

>  <URL> (128)
https://www.selleckchem.com/products/d-tagatose.html

$$$$
S9040 Maslinic acid.cdx
csChFnd80/04072409502D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.0710    3.3308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9563    7.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1124    5.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7547    3.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0178    9.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4299    9.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9149    2.5338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5703    4.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6159    0.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  6  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 35  1  6  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 36  1  1  0  0  0
 14 18  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  6  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  1  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  6  0  0  0
 21 25  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  2  0  0  0  0
 24 32  1  0  0  0  0
 24 33  1  0  0  0  0
 24 29  1  0  0  0  0
 25 34  1  1  0  0  0
M  END
>  <Mol_ID> (129)
4506

>  <Formula> (129)
C30H48O4

>  <MolWeight> (129)
472.69972

>  <Cat> (129)
S9040

>  <Name> (129)
Maslinic acid

>  <Synonyms> (129)
Crategolic Acid, 2¦Á-Hydroxyoleanoic Acid

>  <Target> (129)
NF-¦ÊB

>  <Form> (129)
free base

>  <CAS> (129)
4373-41-5

>  <URL> (129)
https://www.selleckchem.com/products/maslinic-acid.html

$$$$
S5717 Acetohexamide.cdx
csChFnd80/04072409502D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  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
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (130)
4570

>  <Formula> (130)
C15H20N2O4S

>  <MolWeight> (130)
324.3953

>  <Cat> (130)
S5717

>  <Name> (130)
Acetohexamide

>  <Synonyms> (130)
N/A

>  <Target> (130)
Others

>  <Form> (130)
free base

>  <CAS> (130)
968-81-0

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

$$$$

csChFnd80/04072409502D

 49 54  0  0  0  0  0  0  0  0999 V2000
    9.5584    8.7490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5584   10.1811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2980    8.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7694    8.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7694   10.8847    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2325   10.5738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4929   11.7197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4142    9.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9460    6.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0051    8.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7694    6.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0051   10.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0722   12.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    9.4527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4404   11.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2244    8.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9805    5.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0364   11.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390   12.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    8.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0328   11.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7513   12.6935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1670    6.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396    4.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8446    7.4315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6417    9.5182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    6.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    6.7276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    5.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    5.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387    4.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691    4.6164    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2750    4.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387    3.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    5.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8691    3.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417    2.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    2.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3305    1.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    1.1301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3453    0.1725    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.8349    9.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4829    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0878    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8781    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4829    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4829    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  6  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 44  1  1  0  0  0
  6  8  1  0  0  0  0
  8 14  1  6  0  0  0
  8 15  1  1  0  0  0
 10 16  2  0  0  0  0
 10 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 25 20  1  1  0  0  0
 20 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 32 36  1  0  0  0  0
 34 37  1  0  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 37  1  0  0  0  0
 37 40  2  0  0  0  0
 38 41  1  0  0  0  0
 38 42  1  0  0  0  0
 39 42  2  0  0  0  0
 40 43  1  0  0  0  0
 40 41  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 45 48  2  0  0  0  0
 45 49  2  0  0  0  0
M  END
>  <Mol_ID> (131)
4583

>  <Formula> (131)
C33H44BrN5O8S

>  <MolWeight> (131)
750.70016

>  <Cat> (131)
S4309

>  <Name> (131)
Bromocriptine Mesylate

>  <Synonyms> (131)
N/A

>  <Target> (131)
Others

>  <Form> (131)
Mesylate

>  <CAS> (131)
22260-51-1

>  <URL> (131)
http://www.selleckchem.com/products/bromocriptine-mesylate.html

$$$$

csChFnd80/04072409502D

 12 11  0  0  0  0  0  0  0  0999 V2000
    8.4858    2.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4042    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8521    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    2.1021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6337    3.5021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4273    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2112    2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0610    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0586    3.5062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
  3 11  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
>  <Mol_ID> (132)
4612

>  <Formula> (132)
C6H12O6

>  <MolWeight> (132)
180.15588

>  <Cat> (132)
S5176

>  <Name> (132)
Fructose

>  <Synonyms> (132)
D-(-)-Fructose, Fruit sugar, levulose, fructosteril, D-fructofuranose, D-arabino-hexulose

>  <Target> (132)
Others

>  <Form> (132)
Free Base

>  <CAS> (132)
57-48-7

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

$$$$

csChFnd80/04072409502D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.3036    6.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0761    4.1095    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2811    4.8149    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6420    4.1097    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4316    2.0008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5086    6.9094    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7159    6.1991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6466    2.7037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8545    4.8027    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0669    6.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    1.9992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4363    4.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    2.6977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9435    5.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5236    8.3107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2131    4.0878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5080    4.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8620    6.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7309    4.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9390    6.9156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1644    6.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7287    9.0159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9420    8.3091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4732    0.7164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3437    1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9617    5.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6412    5.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545    0.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3882    3.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9444    4.1094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0059    4.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    9.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7436   10.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    5.5121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8839    3.4034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6742    1.3068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9 19  1  0  0  0  0
 10  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13  4  1  0  0  0  0
 14 17  1  0  0  0  0
  7 15  1  1  0  0  0
 16  6  1  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 19 10  1  0  0  0  0
 20  7  1  0  0  0  0
 21  7  1  0  0  0  0
 22 15  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25  5  1  0  0  0  0
  5 26  1  1  0  0  0
  2 27  1  1  0  0  0
  4 28  1  1  0  0  0
 12 29  1  1  0  0  0
 14 30  1  1  0  0  0
  3 31  1  6  0  0  0
 32 15  1  0  0  0  0
 17 33  1  6  0  0  0
 34 25  1  0  0  0  0
 16 35  1  1  0  0  0
 23 36  1  6  0  0  0
  2  9  1  0  0  0  0
 20 18  1  0  0  0  0
 24 21  1  0  0  0  0
 12  8  1  0  0  0  0
 14  5  1  0  0  0  0
  6 37  1  1  0  0  0
  2  3  1  0  0  0  0
  9 38  1  6  0  0  0
  3  1  1  0  0  0  0
  8 39  1  6  0  0  0
M  END
>  <Mol_ID> (133)
4789

>  <Formula> (133)
C30H48O6

>  <MolWeight> (133)
504.69852

>  <Cat> (133)
S9502

>  <Name> (133)
Madecassic acid

>  <Synonyms> (133)
Brahmic acid

>  <Target> (133)
COX,Immunology & Inflammation related,Interleukins,NF-¦ÊB,NOS,TNF-alpha

>  <Form> (133)
Free Base

>  <CAS> (133)
18449-41-7

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

$$$$
Pemafibrate
csChFnd80/04072409502D

 36 39  0  0  1  0  0  0  0  0999 V2000
    6.6685    6.5772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    6.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   11.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   13.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3337   14.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   14.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337   15.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   15.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    9.6572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    8.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    5.0371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9145    4.1321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4226    4.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4385    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    2.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2085    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1285    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4385    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    8.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    9.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    9.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012   11.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685   11.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348   11.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    8.8872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    9.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    8.8872    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 16  1  0  0  0  0
  2 25  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 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (134)
9667

>  <Formula> (134)
C28H30N2O6

>  <MolWeight> (134)
490.5476

>  <Cat> (134)
E2876

>  <Name> (134)
pemafibrate

>  <Synonyms> (134)
K-877

>  <Target> (134)
PPAR

>  <Form> (134)
free base

>  <CAS> (134)
848259-27-8

>  <URL> (134)
https://www.selleckchem.com/products/pemafibrate.html

$$$$
3-[[(3E)-3-[(4-Chlorophenyl)phenylmethylene]-2,3-dihydro-2-oxo-1H-indol-1-yl]...
csChFnd80/04072409502D

 34 38  0  0  0  0  0  0  0  0999 V2000
    5.3348    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3956    3.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6376    5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7001    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.5111    7.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4163    9.1630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1374    6.5101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    6.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0754    4.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358    7.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7991    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1058    5.9081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8119    8.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2750    9.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7813    9.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    6.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5426    6.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0743    6.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9796    8.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8215    9.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3531    9.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  1 17  1  0  0  0  0
  1 23  1  0  0  0  0
  2 10  2  0  0  0  0
  3 13  1  0  0  0  0
  3 29  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  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
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (135)
9684

>  <Formula> (135)
C29H20ClNO3

>  <MolWeight> (135)
465.927

>  <Cat> (135)
E2371

>  <Name> (135)
YLF-466D

>  <Target> (135)
AMPK

>  <Form> (135)
free base

>  <CAS> (135)
1273323-67-3

>  <URL> (135)
https://www.selleckchem.com/products/ylf-466d.html

$$$$
Sodium 3-hydroxybutyrate
csChFnd80/04072409502D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.6674    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    3.0800    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3338    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.0000    0.0000 Na  0  0  0  0  0 15  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
M  END
>  <Mol_ID> (136)
9791

>  <Formula> (136)
C4H8NaO3

>  <MolWeight> (136)
127.09429

>  <Cat> (136)
E4004

>  <Name> (136)
DL-beta-Hydroxybutyric acid sodium salt

>  <Synonyms> (136)
¦Â-Hydroxybutyric acid sodium

>  <Target> (136)
Others

>  <Form> (136)
Sodium salt

>  <CAS> (136)
150-83-4

>  <URL> (136)
https://www.selleckchem.com/products/dl-beta-hydroxybutyric-acid-sodium-salt.html

$$$$
Alexidine dihydrochloride
csChFnd80/04072409502D

 37 35  0  0  0  0  0  0  0  0999 V2000
    4.6200   17.5441    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3900   16.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   17.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3900   18.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   16.2105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   16.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200   20.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   14.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700   16.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   14.8769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300   13.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0100   13.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500   13.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400   12.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3200   12.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600   12.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6300   10.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1700   10.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9400    9.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800    9.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2500    8.2084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900    8.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5600    6.8747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.5600    9.5421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8700    5.5411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.8700    8.2084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1800    4.2074    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.7200    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4100    2.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4900    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1800    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0300    5.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8000    6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    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  1  0  0  0  0
  2  5  1  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  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (137)
9840

>  <Formula> (137)
C26H57ClN10

>  <MolWeight> (137)
545.25078

>  <Cat> (137)
E1780

>  <Name> (137)
Alexidine dihydrochloride

>  <Target> (137)
phosphatase

>  <Form> (137)
dihydrochloride

>  <CAS> (137)
1715-30-6

>  <URL> (137)
https://www.selleckchem.com/products/alexidine-dihydrochloride.html

$$$$
Thiazolidinedione
csChFnd80/04072409502D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026    1.4946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7406    2.4782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7711    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0011    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (138)
9841

>  <Formula> (138)
C3H3NO2S

>  <MolWeight> (138)
117.12642

>  <Cat> (138)
E1775

>  <Name> (138)
2,4-Thiazolidinedione

>  <Synonyms> (138)
Thiazolidinedione

>  <Target> (138)
PPAR

>  <Form> (138)
Salt

>  <CAS> (138)
2295-31-0

>  <URL> (138)
https://www.selleckchem.com/products/2,4-thiazolidinedione.html

$$$$
2-[[4-[(2S)-2-(5-Chloro-2-pyridinyl)-2-methyl-1,3-benzodioxol-4-yl]-1-piperid...
csChFnd80/04072409502D

 41 47  0  0  1  0  0  0  0  0999 V2000
   16.5911    2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7699    1.9500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3303    1.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0596    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7259    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3798    4.0145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7259    7.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5378    5.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3933    7.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9113    3.8536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0596    8.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3921    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3921    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0585    6.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0585    3.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    5.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7248    3.9810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3760    3.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6962    1.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5204    4.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1608    1.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9851    3.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3053    2.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0573    3.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6505    3.3545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8964    5.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    4.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    4.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800    7.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8656    1.3723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4935    2.0713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7943    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  2 29  1  0  0  0  0
  3 28  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 36  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15  1  1  1  0  0  0
 15 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  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 37  2  0  0  0  0
 38  4  1  6  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 41  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (139)
9876

>  <Formula> (139)
C31H31ClN4O5

>  <MolWeight> (139)
575.05464

>  <Cat> (139)
E1602

>  <Name> (139)
Lotiglipron

>  <Synonyms> (139)
PF-07081532

>  <Target> (139)
Glucagon Receptor

>  <Form> (139)
Free base

>  <CAS> (139)
2401892-75-7

>  <URL> (139)
https://www.selleckchem.com/products/lotiglipron.html

$$$$
3-[[5-(1-Azetidinylcarbonyl)-2-pyrazinyl]oxy]-5-[(1S)-2-methoxy-1-methylethox...
csChFnd80/04072409502D

 35 38  0  0  1  0  0  0  0  0999 V2000
    8.4177   10.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0378    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    9.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8078    6.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    5.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    4.0011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4177    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    1.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877    9.3359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9679    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4177    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4978    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1878    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7278    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677    9.3359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5677   12.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7977   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3478    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1178    8.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1178   10.6696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579    8.0023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6579   10.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4279    9.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   12.0032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862   13.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   13.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 11 32  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (140)
9927

>  <Formula> (140)
C24H26N6O5

>  <MolWeight> (140)
478.50044

>  <Cat> (140)
E1353

>  <Name> (140)
AZD1656

>  <Target> (140)
Carbohydrate Metabolism

>  <Form> (140)
free base

>  <CAS> (140)
919783-22-5

>  <URL> (140)
https://www.selleckchem.com/products/azd1656.html

$$$$
